Merge pull request #154 from ParticulateFlow/release

Release 24.01

.circleci/config.yml

@@ -0,0 +1,72 @@
+version: 2
+jobs:
+  build:
+    branches:
+      only:
+        - master
+        - develop
+
+    docker:
+      - image: ubuntu:trusty
+
+    environment:
+      WM_NCOMPPROCS: 2
+
+    working_directory: /root/CFDEM/CFDEMcoupling
+
+    steps:
+      - run:
+          name: Install package dependencies
+          command: sudo apt-get update && sudo apt-get install -y build-essential cmake openmpi-bin libopenmpi-dev python-dev git bc
+          
+      - run:
+          name: Make project and user dir
+          command: mkdir -p /root/CFDEM/CFDEMcoupling && mkdir -p /root/CFDEM/-6
+
+      - checkout:
+          path: /root/CFDEM/CFDEMcoupling
+
+      - run:
+          name: Add OpenFOAM package repository
+          command: sudo apt-get install -y software-properties-common wget apt-transport-https && sudo sh -c "wget -O - http://dl.openfoam.org/gpg.key | apt-key add -" && sudo add-apt-repository http://dl.openfoam.org/ubuntu
+
+      - run:
+          name: Install OpenFOAM 6
+          command: sudo apt-get update && sudo apt-get -y install openfoam6
+
+      - run:
+          name: Clone LIGGGHTS repository
+          command: git clone https://github.com/ParticulateFlow/LIGGGHTS-PFM.git /root/CFDEM/LIGGGHTS
+
+      - run:
+          name: Build LIGGGHTS
+          command: >
+            shopt -s expand_aliases &&
+            source /opt/openfoam6/etc/bashrc &&
+            source /root/CFDEM/CFDEMcoupling/etc/bashrc &&
+            bash /root/CFDEM/CFDEMcoupling/etc/compileLIGGGHTS.sh
+          no_output_timeout: 30m
+
+      - run:
+          name: Build CFDEMcoupling library
+          command: >
+            shopt -s expand_aliases &&
+            source /opt/openfoam6/etc/bashrc &&
+            source /root/CFDEM/CFDEMcoupling/etc/bashrc &&
+            bash /root/CFDEM/CFDEMcoupling/etc/compileCFDEMcoupling_src.sh
+          
+      - run:
+          name: Build CFDEMcoupling solvers
+          command: >
+            shopt -s expand_aliases &&
+            source /opt/openfoam6/etc/bashrc &&
+            source /root/CFDEM/CFDEMcoupling/etc/bashrc &&
+            bash /root/CFDEM/CFDEMcoupling/etc/compileCFDEMcoupling_sol.sh
+
+      - run:
+          name: Build CFDEMcoupling utilities
+          command: >
+            shopt -s expand_aliases &&
+            source /opt/openfoam6/etc/bashrc &&
+            source /root/CFDEM/CFDEMcoupling/etc/bashrc &&
+            bash /root/CFDEM/CFDEMcoupling/etc/compileCFDEMcoupling_uti.sh

.github/pull_request_template.md

@@ -0,0 +1,24 @@
+<!-- Please provide a general summary of your changes in the title above. -->
+
+## Description of proposed changes
+<!-- Describe your changes in detail. -->
+
+## Types of changes
+<!-- What types of changes does your code introduce? Put an `x` in all the boxes that apply. -->
+<!-- Please try to limit your pull request to one type, submit multiple pull requests if needed. -->
+- [ ] Bugfix
+- [ ] Feature
+- [ ] Refactoring (no functional changes, no api changes)
+- [ ] Build related changes
+- [ ] Documentation updates
+- [ ] Other (please describe): 
+
+## Checklist
+<!-- Go over all the following points, and put an `x` in all the boxes that apply. -->
+- [ ] Code compiles correctly (mandatory for bugfixes / features / refactoring / build process)
+- [ ] Tests for the changes have been added / updated (mandatory for bugfixes / features)
+- [ ] Documentation has been added / updated (mandatory for bugfixes / features)
+
+## Further comments
+<!-- If this is a relatively large or complex change, kick off the discussion by explaining
+why you chose the solution you did and what alternatives you considered, etc... -->

.gitignore

@@ -5,4 +5,10 @@
 log_*
 log.*
 *~
+*.swp
+*.swo
 
+**/linux*cc*/
+**/.vscode
+
+lnInclude

LICENSE

@@ -0,0 +1,674 @@
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+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this program.  If not, see <https://www.gnu.org/licenses/>.
+
+Also add information on how to contact you by electronic and paper mail.
+
+  If the program does terminal interaction, make it output a short
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+    <program>  Copyright (C) <year>  <name of author>
+    This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
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+    under certain conditions; type `show c' for details.
+
+The hypothetical commands `show w' and `show c' should show the appropriate
+parts of the General Public License.  Of course, your program's commands
+might be different; for a GUI interface, you would use an "about box".
+
+  You should also get your employer (if you work as a programmer) or school,
+if any, to sign a "copyright disclaimer" for the program, if necessary.
+For more information on this, and how to apply and follow the GNU GPL, see
+<https://www.gnu.org/licenses/>.
+
+  The GNU General Public License does not permit incorporating your program
+into proprietary programs.  If your program is a subroutine library, you
+may consider it more useful to permit linking proprietary applications with
+the library.  If this is what you want to do, use the GNU Lesser General
+Public License instead of this License.  But first, please read
+<https://www.gnu.org/licenses/why-not-lgpl.html>.

README

@@ -1,81 +0,0 @@
-/*---------------------------------------------------------------------------*\
-    CFDEMcoupling - Open Source CFD-DEM coupling
-
-    CFDEMcoupling is part of the CFDEMproject
-    www.cfdem.com
-                                Christoph Goniva, christoph.goniva@cfdem.com
-                                Copyright 2009-2012 JKU Linz
-                                Copyright 2012-     DCS Computing GmbH, Linz
--------------------------------------------------------------------------------
-License
-    This file is part of CFDEMcoupling.
-
-    CFDEMcoupling is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 3 of the License, or (at your
-    option) any later version.
-
-    CFDEMcoupling is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with CFDEMcoupling; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-Description
-    This code provides models and solvers to realize coupled CFD-DEM simulations
-    using LIGGGHTS and OpenFOAM.
-    Note: this code is not part of OpenFOAM (see DISCLAIMER).
-\*---------------------------------------------------------------------------*/
-
-
-CFDEM(R) coupling provides an open source parallel coupled CFD-DEM framework 
-combining the strengths of LIGGGHTS(R) DEM code and the Open Source 
-CFD package OpenFOAM(R)(*). The CFDEM(R)coupling toolbox allows to expand 
-standard CFD solvers of OpenFOAM(R)(*) to include a coupling to the DEM 
-code LIGGGHTS(R). In this toolbox the particle representation within the 
-CFD solver is organized by "cloud" classes. Key functionalities are organised 
-in sub-models (e.g. force models, data exchange models, etc.) which can easily 
-be selected and combined by dictionary settings.
-
-The coupled solvers run fully parallel on distributed-memory clusters. 
-
-Features are:
-
-- its modular approach allows users to easily implement new models
-- its MPI parallelization enables to use it for large scale problems
-- the "forum"_lws on CFD-DEM gives the possibility to exchange with other 
-  users / developers
-- the use of GIT allows to easily update to the latest version
-- basic documentation is provided
-
-The file structure:
-
-- "src" directory including the source files of the coupling toolbox and models
-- "applications" directory including the solver files for coupled CFD-DEM simulations
-- "doc" directory including the documentation of CFDEM(R)coupling
-- "tutorials" directory including basic tutorial cases showing the functionality
-
-
-
-Details on installation are given on the "www.cfdem.com"
-
-The functionality of this CFD-DEM framwork is described via "tutorial cases" showing 
-how to use different solvers and models.
-
-CFDEM(R)coupling stands for Computational Fluid Dynamics (CFD) -
-Discrete Element Method (DEM) coupling.
-
-CFDEM(R)coupling is an open-source code, distributed freely under the terms of the 
-GNU Public License (GPL).
-
-Core development of CFDEM(R)coupling is done by 
-Christoph Goniva and Christoph Kloss, both at DCS Computing GmbH, 2012
-
-
-\*---------------------------------------------------------------------------*/
-(*) "OpenFOAM(R)"_of is a registered trade mark of OpenCFD Limited, a wholly owned subsidiary of the ESI Group.
-This offering is not approved or endorsed by OpenCFD Limited, the producer of the OpenFOAM software and owner of the OPENFOAM® and OpenCFD® trade marks.
-\*---------------------------------------------------------------------------*/

README.md

@@ -0,0 +1,33 @@
+# CFDEMcoupling
+
+CFDEM®coupling stands for Computational Fluid Dynamics (CFD) - Discrete Element Method (DEM) coupling. It combines the open source packages OpenFOAM® (CFD) and LIGGGHTS® (DEM) to simulate particle-laden flows. CFDEM®coupling is part of the [CFDEM®project](https://www.cfdem.com).
+
+[![CircleCI](https://circleci.com/gh/ParticulateFlow/CFDEMcoupling.svg?style=shield&circle-token=7e8118524babddbefccf4e3608a7545d405acbb4)](https://circleci.com/gh/ParticulateFlow/CFDEMcoupling)
+[![License: GPL v3](https://img.shields.io/badge/License-GPL%20v3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0.html)
+
+## Disclaimer
+
+> This is an academic adaptation of the CFDEM®coupling software package, released by the
+[Department of Particulate Flow Modelling at Johannes Kepler University in Linz, Austria.](https://www.jku.at/pfm)
+> LIGGGHTS® and CFDEM® are registered trademarks, and this offering is not approved or
+endorsed by DCS Computing GmbH, the official producer of the LIGGGHTS® and CFDEM®coupling software.
+> This offering is not approved or endorsed by OpenCFD Limited, producer and distributor of the OpenFOAM software via www.openfoam.com, and owner of the OPENFOAM®  and OpenCFD®  trade marks.
+
+## Features
+
+- Documentation and tutorials to get started
+- A modular approach that allows for easy implementation of new models
+- MPI parallelization for large scale problems
+
+## License
+
+[![License: GPL v3](https://img.shields.io/badge/License-GPL%20v3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0.html)
+
+- This software is distributed under the [GNU General Public License](https://opensource.org/licenses/GPL-3.0).
+- Copyright © 2009-     JKU Linz
+- Copyright © 2012-2015 DCS Computing GmbH, Linz
+- Some parts of CFDEM®coupling are based on OpenFOAM® and Copyright on these
+  parts is held by the OpenFOAM® Foundation (www.openfoam.org)
+  and potentially other parties.
+- Some parts of CFDEM®coupling are contributed by other parties, which are
+  holding the Copyright. This is listed in each file of the distribution.

applications/solvers/cfdemSolverIB/Make/options

@@ -1,24 +1,33 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
 EXE_INC = \
-    -I$(LIB_SRC)/turbulenceModels/incompressible/turbulenceModel \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
     -I$(LIB_SRC)/transportModels \
     -I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
-    -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
-    -I$(LIB_SRC)/meshTools/lnInclude \
-    -I$(LIB_SRC)/sampling/lnInclude \
     -I$(LIB_SRC)/dynamicFvMesh/lnInclude \
     -I$(LIB_SRC)/dynamicMesh/lnInclude \
     -I$(LIB_SRC)/dynamicMesh/dynamicFvMesh/lnInclude \
     -I$(LIB_SRC)/dynamicMesh/dynamicMesh/lnInclude \
-    -I$(LIB_SRC)/fvOptions/lnInclude
+    -I$(LIB_SRC)/fvOptions/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -Wno-deprecated-copy
+
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\
-    -lincompressibleRASModels \
-    -lincompressibleLESModels \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
     -lincompressibleTransportModels \
     -lfiniteVolume \
+    -lmeshTools \
     -ldynamicFvMesh \
     -ldynamicMesh \
     -lfvOptions \
-    -l$(CFDEM_LIB_NAME)
+    -lsampling \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)
 

applications/solvers/cfdemSolverIB/cfdemSolverIB.C

@@ -6,7 +6,8 @@
                                 Christoph Goniva, christoph.goniva@cfdem.com
                                 Copyright (C) 1991-2009 OpenCFD Ltd.
                                 Copyright (C) 2009-2012 JKU, Linz
-                                Copyright (C) 2012-     DCS Computing GmbH,Linz
+                                Copyright (C) 2012-2015 DCS Computing GmbH,Linz
+                                Copyright (C) 2015-     JKU, Linz
 -------------------------------------------------------------------------------
 License
     This file is part of CFDEMcoupling.
@@ -29,17 +30,21 @@ Application
 
 Description
     Transient solver for incompressible flow.
-    The code is an evolution of the solver pisoFoam in OpenFOAM(R) 1.6, 
+    The code is an evolution of the solver pisoFoam in OpenFOAM(R) 1.6,
     where additional functionality for CFD-DEM coupling using immersed body
     (fictitious domain) method is added.
 Contributions
     Alice Hager
+    Daniel Queteschiner
+    Thomas Lichtenegger
+    Achuth N. Balachandran Nair
 \*---------------------------------------------------------------------------*/
 
 
 #include "fvCFD.H"
 #include "singlePhaseTransportModel.H"
-#include "turbulenceModel.H"
+#include "turbulentTransportModel.H"
+#include "pisoControl.H"
 
 #include "cfdemCloudIB.H"
 #include "implicitCouple.H"
@@ -52,28 +57,21 @@ Contributions
 
 #include "cellSet.H"
 
-#if defined(version22)
-    #include "meshToMeshNew.H"
-    #include "fvIOoptionList.H"
-#endif
+#include "fvOptions.H"  // added the fvOptions library
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 int main(int argc, char *argv[])
 {
+
     #include "setRootCase.H"
-
     #include "createTime.H"
-
     #include "createDynamicFvMesh.H"
-
+    #include "createControl.H"
+    #include "createTimeControls.H"
     #include "createFields.H"
-
     #include "initContinuityErrs.H"
-
-    #if defined(version22)
     #include "createFvOptions.H"
-    #endif
 
     // create cfdemCloud
     #include "readGravitationalAcceleration.H"
@@ -91,61 +89,54 @@ int main(int argc, char *argv[])
         interFace = mag(mesh.lookupObject<volScalarField>("voidfractionNext"));
         mesh.update(); //dyM
 
-        #include "readPISOControls.H"
+        #include "readTimeControls.H"
         #include "CourantNo.H"
+        #include "setDeltaT.H"
 
         // do particle stuff
         Info << "- evolve()" << endl;
-        particleCloud.evolve();
+        particleCloud.evolve(Us);
 
         // Pressure-velocity PISO corrector
         {
+            MRF.correctBoundaryVelocity(U);
+
             // Momentum predictor
 
             fvVectorMatrix UEqn
             (
-                fvm::ddt(voidfraction,U)
+                fvm::ddt(voidfraction,U) + MRF.DDt(U)
               + fvm::div(phi, U)
               + turbulence->divDevReff(U)
-                #if defined(version22)
-                ==
+             ==
                 fvOptions(U)
-                #endif
             );
 
             UEqn.relax();
 
-            #if defined(version22)
             fvOptions.constrain(UEqn);
-            #endif
 
-            if (momentumPredictor)
+            if (piso.momentumPredictor())
             {
                 solve(UEqn == -fvc::grad(p));
+                fvOptions.correct(U);
             }
 
             // --- PISO loop
-            for (int corr=0; corr<nCorr; corr++)
+            while (piso.correct())
             {
                 volScalarField rUA = 1.0/UEqn.A();
                 surfaceScalarField rUAf(fvc::interpolate(rUA));
 
                 U = rUA*UEqn.H();
-                #ifdef version23
+
                 phi = (fvc::interpolate(U) & mesh.Sf())
                     + rUAf*fvc::ddtCorr(U, phi);
-                #else
-                phi = (fvc::interpolate(U) & mesh.Sf())
-                    + fvc::ddtPhiCorr(rUA, U, phi);
-                #endif
+
                 adjustPhi(phi, U, p);
 
-                #if defined(version22)
-                fvOptions.relativeFlux(phi);
-                #endif
 
-                // Non-orthogonal pressure corrector loop
-                for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
+                while (piso.correctNonOrthogonal())
                 {
                     // Pressure corrector
 
@@ -156,20 +147,9 @@ int main(int argc, char *argv[])
 
                     pEqn.setReference(pRefCell, pRefValue);
 
-                    if
-                    (
-                        corr == nCorr-1
-                     && nonOrth == nNonOrthCorr
-                    )
-                    {
-                        pEqn.solve(mesh.solver("pFinal"));
-                    }
-                    else
-                    {
-                        pEqn.solve();
-                    }
+                    pEqn.solve(mesh.solver(p.select(piso.finalInnerIter())));
 
-                    if (nonOrth == nNonOrthCorr)
+                    if (piso.finalNonOrthogonalIter())
                     {
                         phi -= pEqn.flux();
                     }
@@ -182,15 +162,14 @@ int main(int argc, char *argv[])
             }
         }
 
+        laminarTransport.correct();
         turbulence->correct();
 
         Info << "particleCloud.calcVelocityCorrection() " << endl;
         volScalarField voidfractionNext=mesh.lookupObject<volScalarField>("voidfractionNext");
         particleCloud.calcVelocityCorrection(p,U,phiIB,voidfractionNext);
 
-        #if defined(version22)
         fvOptions.correct(U);
-        #endif
 
         runTime.write();
 

applications/solvers/cfdemSolverIB/createFields.H

@@ -26,21 +26,6 @@
         ),
         mesh
     );
-    //mod by alice
-    Info<< "Reading physical velocity field U" << endl;
-    Info<< "Note: only if voidfraction at boundary is 1, U is superficial velocity!!!\n" << endl;
-    volVectorField Us
-    (
-        IOobject
-        (
-            "Us",
-            runTime.timeName(),
-            mesh,
-            IOobject::MUST_READ,
-            IOobject::AUTO_WRITE
-        ),
-        mesh
-    );
 
 //========================
 // drag law modelling
@@ -76,9 +61,8 @@
         mesh
     );
 
-
     //mod by alice
-    Info<< "Reading field phiIB\n" << endl;
+    Info<< "Reading field voidfraction\n" << endl;
     volScalarField voidfraction
     (
         IOobject
@@ -91,6 +75,21 @@
         ),
         mesh
     );
+
+    Info<< "Reading particle velocity field Us\n" << endl;
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
 //========================
 
 #   include "createPhi.H"
@@ -126,3 +125,5 @@
     );
 
 //===========================
+
+#include "createMRF.H"

applications/solvers/cfdemSolverIBContinuousForcing/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverIBContinuousForcing.C
+
+EXE=$(CFDEM_APP_DIR)/cfdemSolverIBContinuousForcing

applications/solvers/cfdemSolverIBContinuousForcing/Make/options

@@ -0,0 +1,33 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(LIB_SRC)/dynamicFvMesh/lnInclude \
+    -I$(LIB_SRC)/dynamicMesh/lnInclude \
+    -I$(LIB_SRC)/dynamicMesh/dynamicFvMesh/lnInclude \
+    -I$(LIB_SRC)/dynamicMesh/dynamicMesh/lnInclude \
+    -I$(LIB_SRC)/fvOptions/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -Wno-deprecated-copy
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -ldynamicFvMesh \
+    -ldynamicMesh \
+    -lfvOptions \
+    -lsampling \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)
+

applications/solvers/cfdemSolverIBContinuousForcing/UEqn.H

@@ -0,0 +1,19 @@
+fvVectorMatrix UEqn
+(
+    fvm::ddt(voidfractionNext,U) + MRF.DDt(U)
+  + fvm::div(phi, U)
+  + turbulence->divDevReff(U)
+ ==
+    fvOptions(U)
+ +  (lambda*(1-voidfractionNext)/U.mesh().time().deltaT())*(fvc::Sp(1,Us)-fvm::Sp(1,U))
+);
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (piso.momentumPredictor())
+{
+    solve(UEqn == -fvc::grad(p));
+    fvOptions.correct(U);
+}

applications/solvers/cfdemSolverIBContinuousForcing/cfdemSolverIBContinuousForcing.C

@@ -0,0 +1,129 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Copyright (C) 1991-2009 OpenCFD Ltd.
+                                Copyright (C) 2009-2012 JKU, Linz
+                                Copyright (C) 2012-2015 DCS Computing GmbH,Linz
+                                Copyright (C) 2015-     JKU, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    CFDEMcoupling is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with CFDEMcoupling.  If not, see <http://www.gnu.org/licenses/>.
+
+Application
+    cfdemSolverIBContinuousForcing
+
+Description
+    Transient solver for incompressible flow.
+    The code is an evolution of the solver pisoFoam in OpenFOAM(R) 1.6,
+    where additional functionality for CFD-DEM coupling using immersed body
+    (fictitious domain) method and a continuous forcing approach is added.
+Contributions
+    Alice Hager
+    Achuth N. Balachandran Nair
+\*---------------------------------------------------------------------------*/
+
+
+#include "fvCFD.H"
+#include "singlePhaseTransportModel.H"
+#include "turbulentTransportModel.H"
+#include "pisoControl.H"
+
+#include "cfdemCloudIB.H"
+#include "implicitCouple.H"
+
+#include "averagingModel.H"
+#include "regionModel.H"
+#include "voidFractionModel.H"
+
+#include "dynamicFvMesh.H"
+
+#include "cellSet.H"
+
+#include "fvOptions.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createDynamicFvMesh.H"
+    #include "createControl.H"
+    #include "createTimeControls.H"
+    #include "createFields.H"
+    #include "initContinuityErrs.H"
+    #include "createFvOptions.H"
+
+    // create cfdemCloud
+    #include "readGravitationalAcceleration.H"
+    cfdemCloudIB particleCloud(mesh);
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    while (runTime.loop())
+    {
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        //=== dyM ===================
+        interFace = mag(mesh.lookupObject<volScalarField>("voidfractionNext"));
+        mesh.update(); //dyM
+
+        #include "readTimeControls.H"
+        #include "CourantNo.H"
+        #include "setDeltaT.H"
+
+        // do particle stuff
+        Info << "- evolve()" << endl;
+        particleCloud.evolve(Us);
+
+        volScalarField voidfractionNext=mesh.lookupObject<volScalarField>("voidfractionNext");
+
+        // Pressure-velocity PISO corrector
+        {
+            MRF.correctBoundaryVelocity(U);
+
+            // Momentum predictor
+            #include "UEqn.H"
+
+            // --- PISO loop
+            while (piso.correct())
+            {
+                #include "pEqn.H"
+            }
+        }
+
+        laminarTransport.correct();
+        turbulence->correct();
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverIBContinuousForcing/createFields.H

@@ -0,0 +1,143 @@
+    Info<< "Reading field p\n" << endl;
+    volScalarField p
+    (
+        IOobject
+        (
+            "p",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "Reading physical velocity field U" << endl;
+    Info<< "Note: only if voidfraction at boundary is 1, U is superficial velocity!!!\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "Reading particle velocity field Us\n" << endl;
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "Reading the penalization factor field lambda\n" << endl;
+    volScalarField lambda
+    (
+        IOobject
+        (
+            "lambda",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//========================
+// drag law modelling
+//========================
+
+    Info<< "\nCreating dummy density field rho = 1\n" << endl;
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("0", dimensionSet(1, -3, 0, 0, 0), 1.0)
+    );
+
+
+    Info<< "Reading field phiIB\n" << endl;
+    volScalarField phiIB
+    (
+        IOobject
+        (
+            "phiIB",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    //mod by alice
+    Info<< "Reading field voidfraction\n" << endl;
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//========================
+
+#   include "createPhi.H"
+
+    label pRefCell = 0;
+    scalar pRefValue = 0.0;
+    setRefCell(p, mesh.solutionDict().subDict("PISO"), pRefCell, pRefValue);
+
+
+    singlePhaseTransportModel laminarTransport(U, phi);
+
+    autoPtr<incompressible::turbulenceModel> turbulence
+    (
+        incompressible::turbulenceModel::New(U, phi, laminarTransport)
+    );
+
+//=== dyM ===================
+
+    Info<< "Reading field interFace\n" << endl;
+    volScalarField interFace
+    (
+        IOobject
+        (
+            "interFace",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        //dimensionedScalar("0", dimensionSet(0, -1, 0, 0, 0), 0.0)
+        dimensionedScalar("0", dimensionSet(0, 0, 0, 0, 0), 0.0)
+    );
+
+//===========================
+
+#include "createMRF.H"

applications/solvers/cfdemSolverIBContinuousForcing/pEqn.H

@@ -0,0 +1,35 @@
+volScalarField rUA = 1.0/UEqn.A();
+surfaceScalarField rUAf(fvc::interpolate(rUA));
+
+U = rUA*UEqn.H();
+
+phi = (fvc::interpolate(U) & mesh.Sf())
+    + rUAf*fvc::ddtCorr(U, phi);            // Is there additional flux term due to the particle presence?
+
+MRF.makeRelative(phi);
+
+adjustPhi(phi, U, p);
+
+while (piso.correctNonOrthogonal())
+{
+    // Pressure corrector
+
+    fvScalarMatrix pEqn
+    (
+        fvm::laplacian(rUA, p) == fvc::div(phi) + particleCloud.ddtVoidfraction()
+    );
+
+    pEqn.setReference(pRefCell, pRefValue);
+
+    pEqn.solve(mesh.solver(p.select(piso.finalInnerIter())));
+
+    if (piso.finalNonOrthogonalIter())
+    {
+        phi -= pEqn.flux();
+    }
+}
+
+#include "continuityErrs.H"
+U -= rUA*fvc::grad(p); // should we add a pressure correction?
+U.correctBoundaryConditions();
+fvOptions.correct(U);

applications/solvers/cfdemSolverMultiphase/Allwclean

@@ -0,0 +1,8 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+set -x
+
+wclean libso multiphaseMixture
+wclean
+
+#------------------------------------------------------------------------------

applications/solvers/cfdemSolverMultiphase/Allwmake

@@ -0,0 +1,12 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+
+# Parse arguments for library compilation
+targetType=libso
+. $WM_PROJECT_DIR/wmake/scripts/AllwmakeParseArguments
+set -x
+
+wmake $targetType multiphaseMixture
+wmake
+
+#------------------------------------------------------------------------------

applications/solvers/cfdemSolverMultiphase/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverMultiphase.C
+
+EXE = $(CFDEM_APP_DIR)/cfdemSolverMultiphase

applications/solvers/cfdemSolverMultiphase/Make/options

@@ -0,0 +1,34 @@
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+     $(PFLAGS) \
+    -ImultiphaseMixture/lnInclude \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/transportModels/interfaceProperties/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -Wno-deprecated-copy
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lcfdemMultiphaseInterFoam \
+    -linterfaceProperties \
+    -lincompressibleTransportModels \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lfiniteVolume \
+    -lfvOptions \
+    -lmeshTools \
+    -lsampling \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverMultiphase/UEqn.H

@@ -0,0 +1,61 @@
+const surfaceScalarField& rhoPhi(mixture.rhoPhi());
+
+volScalarField muEff = rho*(turbulence->nu() + turbulence->nut());
+
+if (modelType == "A")
+    muEff *= voidfraction;
+
+fvVectorMatrix UEqn
+(
+    fvm::ddt(rhoEps, U) - fvm::Sp(fvc::ddt(rhoEps),U)
+  + fvm::div(rhoPhi, U) - fvm::Sp(fvc::div(rhoPhi),U)
+  //+ particleCloud.divVoidfractionTau(U, voidfraction)
+  - fvm::laplacian(muEff, U) - fvc::div(muEff*dev2(fvc::grad(U)().T()))
+  ==
+    fvOptions(rho, U)
+  - fvm::Sp(Ksl,U)
+);
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (pimple.momentumPredictor() && (modelType=="B" || modelType=="Bfull"))
+{
+    solve
+    (
+        UEqn
+     ==
+        fvc::reconstruct
+        (
+            (- ghf*fvc::snGrad(rho) - fvc::snGrad(p_rgh)) * mesh.magSf()
+        )
+     +
+        fvc::reconstruct
+        (
+            mixture.surfaceTensionForce() * mesh.magSf()
+        ) * voidfraction
+     + Ksl*Us
+    );
+
+    fvOptions.correct(U);
+}
+else if (pimple.momentumPredictor())
+{
+    solve
+    (
+        UEqn
+     ==
+        fvc::reconstruct
+        (
+            (
+                mixture.surfaceTensionForce()
+              - ghf*fvc::snGrad(rho)
+              - fvc::snGrad(p_rgh)
+            ) * mesh.magSf()
+        ) * voidfraction
+     + Ksl*Us
+    );
+
+    fvOptions.correct(U);
+}

applications/solvers/cfdemSolverMultiphase/additionalChecks.H

@@ -0,0 +1,17 @@
+// Additional solver-specific checks
+
+// Useful if one wants to e.g. initialize floating particles using the Archimedes model
+if (particleCloud.couplingProperties().found("unrestrictedForceModelSelection"))
+{
+    Warning << "Using unrestrictedForceModelSelection, results may be incorrect!" << endl;
+} else
+{
+    #include "checkModelType.H"
+}
+
+word modelType = particleCloud.modelType();
+
+if(!particleCloud.couplingProperties().found("useDDTvoidfraction"))
+{
+    Warning << "Suppressing ddt(voidfraction) is not recommended with this solver as it may generate incorrect results!" << endl;
+}

applications/solvers/cfdemSolverMultiphase/alphaCourantNo.H

@@ -0,0 +1,21 @@
+scalar alphaCoNum = 0.0;
+scalar meanAlphaCoNum = 0.0;
+
+if (mesh.nInternalFaces())
+{
+    scalarField sumPhi
+    (
+        mixture.nearInterface()().primitiveField()
+       *fvc::surfaceSum(mag(phi))().primitiveField()
+    );
+
+    alphaCoNum = 0.5*gMax(sumPhi/mesh.V().field())*runTime.deltaTValue();
+
+    meanAlphaCoNum =
+        0.5*(gSum(sumPhi)/gSum(mesh.V().field()))*runTime.deltaTValue();
+}
+
+Info<< "Interface Courant Number mean: " << meanAlphaCoNum
+    << " max: " << alphaCoNum << endl;
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/cfdemSolverMultiphase.C

@@ -0,0 +1,153 @@
+/*---------------------------------------------------------------------------*\
+License
+
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2018- Mathias Vångö, JKU Linz, Austria
+
+Application
+    cfdemSolverMultiphase
+
+Description
+    CFD-DEM solver for n incompressible fluids which captures the interfaces and
+    includes surface-tension and contact-angle effects for each phase. It is based
+    on the OpenFOAM(R)-4.x solver multiphaseInterFoam but extended to incorporate
+    DEM functionalities from the open-source DEM code LIGGGHTS.
+
+    Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "multiphaseMixture.H"
+#include "turbulentTransportModel.H"
+#include "pimpleControl.H"
+#include "fvOptions.H"
+#include "CorrectPhi.H"
+
+#include "cfdemCloud.H"
+#include "implicitCouple.H"
+#include "clockModel.H"
+#include "smoothingModel.H"
+#include "forceModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+
+#if OPENFOAM_VERSION_MAJOR >= 6
+    FatalError << "cfdemSolverMultiphase requires OpenFOAM 4.x or 5.x to work properly" << exit(FatalError);
+#endif
+
+    #include "postProcess.H"
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "initContinuityErrs.H"
+    #include "createFields.H"
+    #include "createFvOptions.H"
+    #include "correctPhi.H"
+    #include "CourantNo.H"
+
+    turbulence->validate();
+
+    // create cfdemCloud
+    cfdemCloud particleCloud(mesh);
+
+    #include "additionalChecks.H"
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    while (runTime.loop())
+    {
+        #include "CourantNo.H"
+        #include "alphaCourantNo.H"
+
+        particleCloud.clockM().start(1,"Global");
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        particleCloud.clockM().start(2,"Coupling");
+        bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
+
+        if(hasEvolved)
+        {
+            particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
+        }
+
+        Info << "update Ksl.internalField()" << endl;
+        Ksl = particleCloud.momCoupleM(0).impMomSource();
+        Ksl.correctBoundaryConditions();
+
+        //Force Checks
+        vector fTotal(0,0,0);
+        vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
+        reduce(fImpTotal, sumOp<vector>());
+        Info << "TotalForceExp: " << fTotal << endl;
+        Info << "TotalForceImp: " << fImpTotal << endl;
+
+        #include "solverDebugInfo.H"
+        particleCloud.clockM().stop("Coupling");
+
+        particleCloud.clockM().start(26,"Flow");
+
+        if(particleCloud.solveFlow())
+        {
+            mixture.solve();
+            rho = mixture.rho();
+            rhoEps = rho * voidfraction;
+
+             // --- Pressure-velocity PIMPLE corrector loop
+            while (pimple.loop())
+            {
+                #include "UEqn.H"
+
+                // --- Pressure corrector loop
+                while (pimple.correct())
+                {
+                    #include "pEqn.H"
+                }
+
+                if (pimple.turbCorr())
+                {
+                    turbulence->correct();
+                }
+            }
+        }
+        else
+        {
+            Info << "skipping flow solution." << endl;
+        }
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/correctPhi.H

@@ -0,0 +1,11 @@
+CorrectPhi
+(
+    U,
+    phi,
+    p_rgh,
+    dimensionedScalar("rAUf", dimTime/rho.dimensions(), 1),
+    geometricZeroField(),
+    pimple
+);
+
+#include "continuityErrs.H"

applications/solvers/cfdemSolverMultiphase/createFields.H

@@ -0,0 +1,156 @@
+//===============================
+// particle interaction modelling
+//===============================
+
+Info<< "\nReading momentum exchange field Ksl\n" << endl;
+volScalarField Ksl
+(
+    IOobject
+    (
+        "Ksl",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+        ),
+    mesh
+    //dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 1.0)
+);
+
+Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
+volScalarField voidfraction
+(
+    IOobject
+    (
+        "voidfraction",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+        ),
+    mesh
+);
+voidfraction.oldTime();
+
+Info<< "Reading particle velocity field Us\n" << endl;
+volVectorField Us
+(
+    IOobject
+    (
+        "Us",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+        ),
+    mesh
+);
+
+Info<< "Reading field p_rgh\n" << endl;
+volScalarField p_rgh
+(
+    IOobject
+    (
+        "p_rgh",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh
+);
+
+Info<< "Reading field U\n" << endl;
+volVectorField U
+(
+    IOobject
+    (
+        "U",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh
+);
+
+Info<< "Reading/calculating face flux field phi\n" << endl;
+surfaceScalarField phi
+(
+    IOobject
+    (
+        "phi",
+        runTime.timeName(),
+         mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    linearInterpolate(U*voidfraction) & mesh.Sf()
+);
+
+multiphaseMixture mixture(U, phi, voidfraction);
+
+// Need to store rho for ddt(rho, U)
+volScalarField rho
+(
+    IOobject
+    (
+        "rho",
+        runTime.timeName(),
+        mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    mixture.rho()
+);
+rho.oldTime();
+
+volScalarField rhoEps ("rhoEps", rho * voidfraction);
+
+// Construct incompressible turbulence model
+autoPtr<incompressible::turbulenceModel> turbulence
+(
+    incompressible::turbulenceModel::New(U, phi, mixture)
+);
+
+
+#include "readGravitationalAcceleration.H"
+#include "readhRef.H"
+#include "gh.H"
+
+
+volScalarField p
+(
+    IOobject
+    (
+        "p",
+        runTime.timeName(),
+        mesh,
+        IOobject::NO_READ,
+        IOobject::AUTO_WRITE
+    ),
+    p_rgh + rho*gh
+);
+
+label pRefCell = 0;
+scalar pRefValue = 0.0;
+setRefCell
+(
+    p,
+    p_rgh,
+    pimple.dict(),
+    pRefCell,
+    pRefValue
+);
+
+if (p_rgh.needReference())
+{
+    p += dimensionedScalar
+    (
+        "p",
+        p.dimensions(),
+        pRefValue - getRefCellValue(p, pRefCell)
+    );
+}
+
+mesh.setFluxRequired(p_rgh.name());

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/Make/files

@@ -0,0 +1,5 @@
+phase/phase.C
+alphaContactAngle/alphaContactAngleFvPatchScalarField.C
+multiphaseMixture.C
+
+LIB = $(CFDEM_LIB_DIR)/libcfdemMultiphaseInterFoam

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/Make/options

@@ -0,0 +1,18 @@
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+
+EXE_INC = \
+     $(PFLAGS) \
+    -IalphaContactAngle \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/transportModels/interfaceProperties/lnInclude \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -Wno-deprecated-copy
+
+LIB_LIBS = \
+    -linterfaceProperties \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/alphaContactAngle/alphaContactAngleFvPatchScalarField.C

@@ -0,0 +1,146 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "alphaContactAngleFvPatchScalarField.H"
+#include "addToRunTimeSelectionTable.H"
+#include "fvPatchFieldMapper.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+alphaContactAngleFvPatchScalarField::interfaceThetaProps::interfaceThetaProps
+(
+    Istream& is
+)
+:
+    theta0_(readScalar(is)),
+    uTheta_(readScalar(is)),
+    thetaA_(readScalar(is)),
+    thetaR_(readScalar(is))
+{}
+
+
+Istream& operator>>
+(
+    Istream& is,
+    alphaContactAngleFvPatchScalarField::interfaceThetaProps& tp
+)
+{
+    is >> tp.theta0_ >> tp.uTheta_ >> tp.thetaA_ >> tp.thetaR_;
+    return is;
+}
+
+
+Ostream& operator<<
+(
+    Ostream& os,
+    const alphaContactAngleFvPatchScalarField::interfaceThetaProps& tp
+)
+{
+    os  << tp.theta0_ << token::SPACE
+        << tp.uTheta_ << token::SPACE
+        << tp.thetaA_ << token::SPACE
+        << tp.thetaR_;
+
+    return os;
+}
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    zeroGradientFvPatchScalarField(p, iF)
+{}
+
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const alphaContactAngleFvPatchScalarField& gcpsf,
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const fvPatchFieldMapper& mapper
+)
+:
+    zeroGradientFvPatchScalarField(gcpsf, p, iF, mapper),
+    thetaProps_(gcpsf.thetaProps_)
+{}
+
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const dictionary& dict
+)
+:
+    zeroGradientFvPatchScalarField(p, iF),
+    thetaProps_(dict.lookup("thetaProperties"))
+{
+    evaluate();
+}
+
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const alphaContactAngleFvPatchScalarField& gcpsf,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    zeroGradientFvPatchScalarField(gcpsf, iF),
+    thetaProps_(gcpsf.thetaProps_)
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void alphaContactAngleFvPatchScalarField::write(Ostream& os) const
+{
+    fvPatchScalarField::write(os);
+    os.writeKeyword("thetaProperties")
+        << thetaProps_ << token::END_STATEMENT << nl;
+    writeEntry("value", os);
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+makePatchTypeField
+(
+    fvPatchScalarField,
+    alphaContactAngleFvPatchScalarField
+);
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/alphaContactAngle/alphaContactAngleFvPatchScalarField.H

@@ -0,0 +1,215 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::alphaContactAngleFvPatchScalarField
+
+Description
+    Contact-angle boundary condition for multi-phase interface-capturing
+    simulations.  Used in conjuction with multiphaseMixture.
+
+SourceFiles
+    alphaContactAngleFvPatchScalarField.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef alphaContactAngleFvPatchScalarField_H
+#define alphaContactAngleFvPatchScalarField_H
+
+#include "zeroGradientFvPatchFields.H"
+#include "multiphaseMixture.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class alphaContactAngleFvPatch Declaration
+\*---------------------------------------------------------------------------*/
+
+class alphaContactAngleFvPatchScalarField
+:
+    public zeroGradientFvPatchScalarField
+{
+public:
+
+    class interfaceThetaProps
+    {
+        //- Equilibrium contact angle
+        scalar theta0_;
+
+        //- Dynamic contact angle velocity scale
+        scalar uTheta_;
+
+        //- Limiting advancing contact angle
+        scalar thetaA_;
+
+        //- Limiting receeding contact angle
+        scalar thetaR_;
+
+
+    public:
+
+        // Constructors
+            interfaceThetaProps()
+            {}
+
+            interfaceThetaProps(Istream&);
+
+
+        // Member functions
+
+            //- Return the equilibrium contact angle theta0
+            scalar theta0(bool matched=true) const
+            {
+                if (matched) return theta0_;
+                else return 180.0 - theta0_;
+            }
+
+            //- Return the dynamic contact angle velocity scale
+            scalar uTheta() const
+            {
+                return uTheta_;
+            }
+
+            //- Return the limiting advancing contact angle
+            scalar thetaA(bool matched=true) const
+            {
+                if (matched) return thetaA_;
+                else return 180.0 - thetaA_;
+            }
+
+            //- Return the limiting receeding contact angle
+            scalar thetaR(bool matched=true) const
+            {
+                if (matched) return thetaR_;
+                else return 180.0 - thetaR_;
+            }
+
+
+        // IO functions
+
+            friend Istream& operator>>(Istream&, interfaceThetaProps&);
+            friend Ostream& operator<<(Ostream&, const interfaceThetaProps&);
+    };
+
+    typedef HashTable
+    <
+        interfaceThetaProps,
+        multiphaseMixture::interfacePair,
+        multiphaseMixture::interfacePair::hash
+    > thetaPropsTable;
+
+
+private:
+
+    // Private data
+
+        thetaPropsTable thetaProps_;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("alphaContactAngle");
+
+
+    // Constructors
+
+        //- Construct from patch and internal field
+        alphaContactAngleFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct from patch, internal field and dictionary
+        alphaContactAngleFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const dictionary&
+        );
+
+        //- Construct by mapping given alphaContactAngleFvPatchScalarField
+        //  onto a new patch
+        alphaContactAngleFvPatchScalarField
+        (
+            const alphaContactAngleFvPatchScalarField&,
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const fvPatchFieldMapper&
+        );
+
+        //- Construct and return a clone
+        virtual tmp<fvPatchScalarField> clone() const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new alphaContactAngleFvPatchScalarField(*this)
+            );
+        }
+
+        //- Construct as copy setting internal field reference
+        alphaContactAngleFvPatchScalarField
+        (
+            const alphaContactAngleFvPatchScalarField&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct and return a clone setting internal field reference
+        virtual tmp<fvPatchScalarField> clone
+        (
+            const DimensionedField<scalar, volMesh>& iF
+        ) const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new alphaContactAngleFvPatchScalarField(*this, iF)
+            );
+        }
+
+
+    // Member functions
+
+        //- Return the contact angle properties
+        const thetaPropsTable& thetaProps() const
+        {
+            return thetaProps_;
+        }
+
+        //- Write
+        virtual void write(Ostream&) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/multiphaseMixture.C

@@ -0,0 +1,784 @@
+/*---------------------------------------------------------------------------*\
+License
+
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2018- Mathias Vångö, JKU Linz, Austria
+
+\*---------------------------------------------------------------------------*/
+
+#include "multiphaseMixture.H"
+#include "alphaContactAngleFvPatchScalarField.H"
+#include "Time.H"
+#include "subCycle.H"
+#include "MULES.H"
+#include "surfaceInterpolate.H"
+#include "fvcGrad.H"
+#include "fvcSnGrad.H"
+#include "fvcDiv.H"
+#include "fvcFlux.H"
+
+// * * * * * * * * * * * * * * * Static Member Data  * * * * * * * * * * * * //
+
+const Foam::scalar Foam::multiphaseMixture::convertToRad =
+    Foam::constant::mathematical::pi/180.0;
+
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+void Foam::multiphaseMixture::calcAlphas()
+{
+    scalar level = 0.0;
+    alphas_ == 0.0;
+
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        alphas_ += level*iter();
+        level += 1.0;
+    }
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::calcNu() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    // 1/nu
+    tmp<volScalarField> tnuInv = iter()/iter().nu();
+    volScalarField& nuInv = tnuInv.ref();
+
+    // nu
+    tmp<volScalarField> tnu = iter()*iter().nu();
+    volScalarField& nu = tnu.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        nuInv += iter()/iter().nu();
+    }
+
+    nu = 1/nuInv;
+    
+    return tnu;
+}
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixture::calcStf() const
+{
+    tmp<surfaceScalarField> tstf
+    (
+        new surfaceScalarField
+        (
+            IOobject
+            (
+                "stf",
+                mesh_.time().timeName(),
+                mesh_
+            ),
+            mesh_,
+            dimensionedScalar
+            (
+                "stf",
+                dimensionSet(1, -2, -2, 0, 0),
+                0.0
+            )
+        )
+    );
+
+    surfaceScalarField& stf = tstf.ref();
+
+    forAllConstIter(PtrDictionary<phase>, phases_, iter1)
+    {
+        const phase& alpha1 = iter1();
+
+        PtrDictionary<phase>::const_iterator iter2 = iter1;
+        ++iter2;
+
+        for (; iter2 != phases_.end(); ++iter2)
+        {
+            const phase& alpha2 = iter2();
+
+            sigmaTable::const_iterator sigma =
+                sigmas_.find(interfacePair(alpha1, alpha2));
+
+            if (sigma == sigmas_.end())
+            {
+                FatalErrorInFunction
+                    << "Cannot find interface " << interfacePair(alpha1, alpha2)
+                    << " in list of sigma values"
+                    << exit(FatalError);
+            }
+
+            stf += dimensionedScalar("sigma", dimSigma_, sigma())
+               *fvc::interpolate(K(alpha1, alpha2))*
+                (
+                    fvc::interpolate(alpha2)*fvc::snGrad(alpha1)
+                  - fvc::interpolate(alpha1)*fvc::snGrad(alpha2)
+                );
+        }
+    }
+
+    return tstf;
+}
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::multiphaseMixture::multiphaseMixture
+(
+    const volVectorField& U,
+    const surfaceScalarField& phi,
+    const volScalarField& voidfraction
+)
+:
+    IOdictionary
+    (
+        IOobject
+        (
+            "transportProperties",
+            U.time().constant(),
+            U.db(),
+            IOobject::MUST_READ_IF_MODIFIED,
+            IOobject::NO_WRITE
+        )
+    ),
+
+    phases_(lookup("phases"), phase::iNew(U, phi)),
+
+    mesh_(U.mesh()),
+    U_(U),
+    phi_(phi),
+    voidfraction_(voidfraction),
+    rhoPhi_
+    (
+        IOobject
+        (
+            "rhoPhi",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("rhoPhi", dimMass/dimTime, 0.0)
+    ),
+    surfaceTensionForce_
+    (
+        IOobject
+        (
+            "surfaceTensionForce",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("surfaceTensionForce", dimensionSet(1, -2, -2, 0, 0), 0.0)
+    ),
+    alphas_
+    (
+        IOobject
+        (
+            "alphas",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("alphas", dimless, 0.0)
+    ),
+
+    nu_
+    (
+        IOobject
+        (
+            "nu",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        calcNu()
+    ),
+
+    sigmas_(lookup("sigmas")),
+    dimSigma_(1, 0, -2, 0, 0),
+    deltaN_
+    (
+        "deltaN",
+        1e-8/pow(average(mesh_.V()), 1.0/3.0)
+    )
+{
+    calcAlphas();
+    alphas_.write();
+    surfaceTensionForce_ = calcStf();
+
+}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::rho() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<volScalarField> trho = iter()*iter().rho();
+    volScalarField& rho = trho.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        rho += iter()*iter().rho();
+    }
+
+    return trho;
+}
+
+
+Foam::tmp<Foam::scalarField>
+Foam::multiphaseMixture::rho(const label patchi) const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<scalarField> trho = iter().boundaryField()[patchi]*iter().rho().value();
+    scalarField& rho = trho.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        rho += iter().boundaryField()[patchi]*iter().rho().value();
+    }
+
+    return trho;
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::mu() const
+{
+    return rho()*nu();
+//    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+//    tmp<volScalarField> tmu = iter()*iter().rho()*iter().nu();
+//    volScalarField& mu = tmu.ref();
+
+//    for (++iter; iter != phases_.end(); ++iter)
+//    {
+//        mu += iter()*iter().rho()*iter().nu();
+//    }
+
+//    return tmu;
+}
+
+
+Foam::tmp<Foam::scalarField>
+Foam::multiphaseMixture::mu(const label patchi) const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<scalarField> tmu =
+        iter().boundaryField()[patchi]
+       *iter().rho().value()
+       *iter().nu(patchi);
+    scalarField& mu = tmu.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        mu +=
+            iter().boundaryField()[patchi]
+           *iter().rho().value()
+           *iter().nu(patchi);
+    }
+
+    return tmu;
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixture::muf() const
+{
+
+    return nuf()*fvc::interpolate(rho());
+//    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+//    tmp<surfaceScalarField> tmuf =
+//            fvc::interpolate(iter())*iter().rho()*fvc::interpolate(iter().nu());
+//    surfaceScalarField& muf = tmuf.ref();
+
+//    for (++iter; iter != phases_.end(); ++iter)
+//    {
+//        muf +=
+//                fvc::interpolate(iter())*iter().rho()*fvc::interpolate(iter().nu());
+//    }
+
+//    return tmuf;
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::nu() const
+{
+    return nu_;
+}
+
+
+Foam::tmp<Foam::scalarField>
+Foam::multiphaseMixture::nu(const label patchi) const
+{
+    //return nu_.boundaryField()[patchi];
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<scalarField> tnu =
+        iter().boundaryField()[patchi]
+       *iter().nu(patchi);
+    scalarField& nu = tnu.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        nu +=
+            iter().boundaryField()[patchi]
+           *iter().nu(patchi);
+    }
+
+    return tnu;
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixture::nuf() const
+{
+    //return muf()/fvc::interpolate(rho());
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<surfaceScalarField> tnuf =
+        fvc::interpolate(iter())*fvc::interpolate(iter().nu());
+    surfaceScalarField& nuf = tnuf.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        nuf +=
+            fvc::interpolate(iter())*fvc::interpolate(iter().nu());
+    }
+
+    return tnuf;
+}
+
+void Foam::multiphaseMixture::solve()
+{
+    correct();
+
+    const Time& runTime = mesh_.time();
+
+    volScalarField& alpha = phases_.first();
+
+    const dictionary& alphaControls = mesh_.solverDict("alpha");
+    label nAlphaSubCycles(readLabel(alphaControls.lookup("nAlphaSubCycles")));
+    scalar cAlpha(readScalar(alphaControls.lookup("cAlpha")));
+
+    if (nAlphaSubCycles > 1)
+    {
+        surfaceScalarField rhoPhiSum
+        (
+            IOobject
+            (
+                "rhoPhiSum",
+                runTime.timeName(),
+                mesh_
+            ),
+            mesh_,
+            dimensionedScalar("0", rhoPhi_.dimensions(), 0)
+        );
+
+        dimensionedScalar totalDeltaT = runTime.deltaT();
+
+        for
+        (
+            subCycle<volScalarField> alphaSubCycle(alpha, nAlphaSubCycles);
+            !(++alphaSubCycle).end();
+        )
+        {
+            FatalError << "Sub-cycling of the alpha equation not yet implemented!!" << abort(FatalError);
+            solveAlphas(cAlpha);
+            rhoPhiSum += (runTime.deltaT()/totalDeltaT)*rhoPhi_;
+        }
+
+        rhoPhi_ = rhoPhiSum;
+    }
+    else
+    {
+        solveAlphas(cAlpha);
+    }
+
+    // Update the mixture kinematic viscosity
+    nu_ = calcNu();
+    surfaceTensionForce_ = calcStf();
+}
+
+
+void Foam::multiphaseMixture::correct()
+{
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        iter().correct();
+    }
+}
+
+
+Foam::tmp<Foam::surfaceVectorField> Foam::multiphaseMixture::nHatfv
+(
+    const volScalarField& alpha1,
+    const volScalarField& alpha2
+) const
+{
+    /*
+    // Cell gradient of alpha
+    volVectorField gradAlpha =
+        alpha2*fvc::grad(alpha1) - alpha1*fvc::grad(alpha2);
+
+    // Interpolated face-gradient of alpha
+    surfaceVectorField gradAlphaf = fvc::interpolate(gradAlpha);
+    */
+
+    surfaceVectorField gradAlphaf
+    (
+        fvc::interpolate(alpha2)*fvc::interpolate(fvc::grad(alpha1))
+      - fvc::interpolate(alpha1)*fvc::interpolate(fvc::grad(alpha2))
+    );
+
+    // Face unit interface normal
+    return gradAlphaf/(mag(gradAlphaf) + deltaN_);
+}
+
+
+Foam::tmp<Foam::surfaceScalarField> Foam::multiphaseMixture::nHatf
+(
+    const volScalarField& alpha1,
+    const volScalarField& alpha2
+) const
+{
+    // Face unit interface normal flux
+    return nHatfv(alpha1, alpha2) & mesh_.Sf();
+}
+
+
+// Correction for the boundary condition on the unit normal nHat on
+// walls to produce the correct contact angle.
+
+// The dynamic contact angle is calculated from the component of the
+// velocity on the direction of the interface, parallel to the wall.
+
+void Foam::multiphaseMixture::correctContactAngle
+(
+    const phase& alpha1,
+    const phase& alpha2,
+    surfaceVectorField::Boundary& nHatb
+) const
+{
+    const volScalarField::Boundary& gbf
+        = alpha1.boundaryField();
+
+    const fvBoundaryMesh& boundary = mesh_.boundary();
+
+    forAll(boundary, patchi)
+    {
+        if (isA<alphaContactAngleFvPatchScalarField>(gbf[patchi]))
+        {
+            const alphaContactAngleFvPatchScalarField& acap =
+                refCast<const alphaContactAngleFvPatchScalarField>(gbf[patchi]);
+
+            vectorField& nHatPatch = nHatb[patchi];
+
+            vectorField AfHatPatch
+            (
+                mesh_.Sf().boundaryField()[patchi]
+               /mesh_.magSf().boundaryField()[patchi]
+            );
+
+            alphaContactAngleFvPatchScalarField::thetaPropsTable::
+                const_iterator tp =
+                acap.thetaProps().find(interfacePair(alpha1, alpha2));
+
+            if (tp == acap.thetaProps().end())
+            {
+                FatalErrorInFunction
+                    << "Cannot find interface " << interfacePair(alpha1, alpha2)
+                    << "\n    in table of theta properties for patch "
+                    << acap.patch().name()
+                    << exit(FatalError);
+            }
+
+            bool matched = (tp.key().first() == alpha1.name());
+
+            scalar theta0 = convertToRad*tp().theta0(matched);
+            scalarField theta(boundary[patchi].size(), theta0);
+
+            scalar uTheta = tp().uTheta();
+
+            // Calculate the dynamic contact angle if required
+            if (uTheta > SMALL)
+            {
+                scalar thetaA = convertToRad*tp().thetaA(matched);
+                scalar thetaR = convertToRad*tp().thetaR(matched);
+
+                // Calculated the component of the velocity parallel to the wall
+                vectorField Uwall
+                (
+                    U_.boundaryField()[patchi].patchInternalField()
+                  - U_.boundaryField()[patchi]
+                );
+                Uwall -= (AfHatPatch & Uwall)*AfHatPatch;
+
+                // Find the direction of the interface parallel to the wall
+                vectorField nWall
+                (
+                    nHatPatch - (AfHatPatch & nHatPatch)*AfHatPatch
+                );
+
+                // Normalise nWall
+                nWall /= (mag(nWall) + SMALL);
+
+                // Calculate Uwall resolved normal to the interface parallel to
+                // the interface
+                scalarField uwall(nWall & Uwall);
+
+                theta += (thetaA - thetaR)*tanh(uwall/uTheta);
+            }
+
+
+            // Reset nHatPatch to correspond to the contact angle
+
+            scalarField a12(nHatPatch & AfHatPatch);
+
+            scalarField b1(cos(theta));
+
+            scalarField b2(nHatPatch.size());
+
+            forAll(b2, facei)
+            {
+                b2[facei] = cos(acos(a12[facei]) - theta[facei]);
+            }
+
+            scalarField det(1.0 - a12*a12);
+
+            scalarField a((b1 - a12*b2)/det);
+            scalarField b((b2 - a12*b1)/det);
+
+            nHatPatch = a*AfHatPatch + b*nHatPatch;
+
+            nHatPatch /= (mag(nHatPatch) + deltaN_.value());
+        }
+    }
+}
+
+
+Foam::tmp<Foam::volScalarField> Foam::multiphaseMixture::K
+(
+    const phase& alpha1,
+    const phase& alpha2
+) const
+{
+    tmp<surfaceVectorField> tnHatfv = nHatfv(alpha1, alpha2);
+
+    correctContactAngle(alpha1, alpha2, tnHatfv.ref().boundaryFieldRef());
+
+    // Simple expression for curvature
+    return -fvc::div(tnHatfv & mesh_.Sf());
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::nearInterface() const
+{
+    tmp<volScalarField> tnearInt
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                "nearInterface",
+                mesh_.time().timeName(),
+                mesh_
+            ),
+            mesh_,
+            dimensionedScalar("nearInterface", dimless, 0.0)
+        )
+    );
+
+    forAllConstIter(PtrDictionary<phase>, phases_, iter)
+    {
+        tnearInt.ref() = max(tnearInt(), pos(iter() - 0.01)*pos(0.99 - iter()));
+    }
+
+    return tnearInt;
+}
+
+
+void Foam::multiphaseMixture::solveAlphas
+(
+    const scalar cAlpha
+)
+{
+    static label nSolves=-1;
+    nSolves++;
+
+    word alphaScheme("div(phi,alpha)");
+    word alpharScheme("div(phirb,alpha)");
+
+    surfaceScalarField phic(mag(phi_/mesh_.magSf()));
+    phic = min(cAlpha*phic, max(phic));
+
+    PtrList<surfaceScalarField> alphaPhiCorrs(phases_.size());
+    int phasei = 0;
+
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        phase& alpha = iter();
+
+        alphaPhiCorrs.set
+        (
+            phasei,
+            new surfaceScalarField
+            (
+                "phi" + alpha.name() + "Corr",
+                fvc::flux
+                (
+                    phi_,
+                    alpha,
+                    alphaScheme
+                )
+            )
+        );
+
+        surfaceScalarField& alphaPhiCorr = alphaPhiCorrs[phasei];
+
+        forAllIter(PtrDictionary<phase>, phases_, iter2)
+        {
+            phase& alpha2 = iter2();
+
+            if (&alpha2 == &alpha) continue;
+
+            surfaceScalarField phir(phic*nHatf(alpha, alpha2));
+
+            alphaPhiCorr += fvc::flux
+            (
+                -fvc::flux(-phir, alpha2, alpharScheme),
+                alpha,
+                alpharScheme
+            );
+        }
+
+        MULES::limit
+        (
+            1.0/mesh_.time().deltaT().value(),
+            voidfraction_,
+            alpha,
+            phi_,
+            alphaPhiCorr,
+            zeroField(),
+            zeroField(),
+#if OPENFOAM_VERSION_MAJOR < 6
+            1,
+            0,
+#else
+            oneField(),
+            zeroField(),
+#endif
+            true
+        );
+
+        phasei++;
+    }
+
+    MULES::limitSum(alphaPhiCorrs);
+
+    rhoPhi_ = dimensionedScalar("0", dimensionSet(1, 0, -1, 0, 0), 0);
+
+    volScalarField sumAlpha
+    (
+        IOobject
+        (
+            "sumAlpha",
+            mesh_.time().timeName(),
+            mesh_
+        ),
+        mesh_,
+        dimensionedScalar("sumAlpha", dimless, 0)
+    );
+
+    phasei = 0;
+
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        phase& alpha = iter();
+
+        surfaceScalarField& alphaPhi = alphaPhiCorrs[phasei];
+        alphaPhi += upwind<scalar>(mesh_, phi_).flux(alpha);
+
+        MULES::explicitSolve
+        (
+            voidfraction_,
+            alpha,
+            alphaPhi,
+            zeroField(),
+            zeroField()
+        );
+
+        rhoPhi_ += alphaPhi*alpha.rho();
+
+        Info<< alpha.name() << " volume fraction, min, max = "
+            << alpha.weightedAverage(mesh_.V()).value()
+            << ' ' << min(alpha).value()
+            << ' ' << max(alpha).value()
+            << endl;
+
+        sumAlpha += alpha;
+
+        phasei++;
+    }
+
+    Info<< "Phase-sum volume fraction, min, max = "
+        << sumAlpha.weightedAverage(mesh_.V()).value()
+        << ' ' << min(sumAlpha).value()
+        << ' ' << max(sumAlpha).value()
+        << endl;
+
+    calcAlphas();
+}
+
+
+bool Foam::multiphaseMixture::read()
+{
+    if (transportModel::read())
+    {
+        bool readOK = true;
+
+        PtrList<entry> phaseData(lookup("phases"));
+        label phasei = 0;
+
+        forAllIter(PtrDictionary<phase>, phases_, iter)
+        {
+            readOK &= iter().read(phaseData[phasei++].dict());
+        }
+
+        lookup("sigmas") >> sigmas_;
+
+        return readOK;
+    }
+    else
+    {
+        return false;
+    }
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/multiphaseMixture.H

@@ -0,0 +1,284 @@
+/*---------------------------------------------------------------------------*\
+License
+
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2018- Mathias Vångö, JKU Linz, Austria
+
+Class
+    multiphaseMixture
+
+Description
+    This class is based on the OpenFOAM(R) Foam::multiphaseMixture class,
+    which is an incompressible multi-phase mixture with built in solution
+    for the phase fractions with interface compression for interface-capturing.
+    It has been extended to include the void fraction in the volume fraction
+    transport equations.
+
+    Derived from transportModel so that it can be unsed in conjunction with
+    the incompressible turbulence models.
+
+    Surface tension and contact-angle is handled for the interface
+    between each phase-pair.
+
+SourceFiles
+    multiphaseMixture.C
+\*---------------------------------------------------------------------------*/
+
+#ifndef multiphaseMixture_H
+#define multiphaseMixture_H
+
+#include "incompressible/transportModel/transportModel.H"
+#include "IOdictionary.H"
+#include "phase.H"
+#include "PtrDictionary.H"
+#include "volFields.H"
+#include "surfaceFields.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                      Class multiphaseMixture Declaration
+\*---------------------------------------------------------------------------*/
+
+class multiphaseMixture
+:
+    public IOdictionary,
+    public transportModel
+{
+public:
+
+    class interfacePair
+    :
+        public Pair<word>
+    {
+    public:
+
+        class hash
+        :
+            public Hash<interfacePair>
+        {
+        public:
+
+            hash()
+            {}
+
+            label operator()(const interfacePair& key) const
+            {
+                return word::hash()(key.first()) + word::hash()(key.second());
+            }
+        };
+
+
+        // Constructors
+
+            interfacePair()
+            {}
+
+            interfacePair(const word& alpha1Name, const word& alpha2Name)
+            :
+                Pair<word>(alpha1Name, alpha2Name)
+            {}
+
+            interfacePair(const phase& alpha1, const phase& alpha2)
+            :
+                Pair<word>(alpha1.name(), alpha2.name())
+            {}
+
+
+        // Friend Operators
+
+            friend bool operator==
+            (
+                const interfacePair& a,
+                const interfacePair& b
+            )
+            {
+                return
+                (
+                    ((a.first() == b.first()) && (a.second() == b.second()))
+                 || ((a.first() == b.second()) && (a.second() == b.first()))
+                );
+            }
+
+            friend bool operator!=
+            (
+                const interfacePair& a,
+                const interfacePair& b
+            )
+            {
+                return (!(a == b));
+            }
+    };
+
+
+private:
+
+    // Private data
+
+        //- Dictionary of phases
+        PtrDictionary<phase> phases_;
+
+        const fvMesh& mesh_;
+        const volVectorField& U_;
+        const surfaceScalarField& phi_;
+        const volScalarField& voidfraction_;
+        surfaceScalarField rhoPhi_;
+        surfaceScalarField surfaceTensionForce_;
+        volScalarField alphas_;
+
+        volScalarField nu_;
+
+        typedef HashTable<scalar, interfacePair, interfacePair::hash>
+            sigmaTable;
+
+        sigmaTable sigmas_;
+        dimensionSet dimSigma_;
+
+        //- Stabilisation for normalisation of the interface normal
+        const dimensionedScalar deltaN_;
+
+        //- Conversion factor for degrees into radians
+        static const scalar convertToRad;
+
+
+    // Private member functions
+
+        void calcAlphas();
+
+        tmp<volScalarField> calcNu() const;
+
+        void solveAlphas(const scalar cAlpha);
+
+        tmp<surfaceVectorField> nHatfv
+        (
+            const volScalarField& alpha1,
+            const volScalarField& alpha2
+        ) const;
+
+        tmp<surfaceScalarField> nHatf
+        (
+            const volScalarField& alpha1,
+            const volScalarField& alpha2
+        ) const;
+
+        void correctContactAngle
+        (
+            const phase& alpha1,
+            const phase& alpha2,
+            surfaceVectorField::Boundary& nHatb
+        ) const;
+
+        tmp<volScalarField> K(const phase& alpha1, const phase& alpha2) const;
+        tmp<surfaceScalarField> calcStf() const;
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        multiphaseMixture
+        (
+            const volVectorField& U,
+            const surfaceScalarField& phi,
+            const volScalarField& voidfraction
+        );
+
+
+    //- Destructor
+    virtual ~multiphaseMixture()
+    {}
+
+
+    // Member Functions
+
+        //- Return the phases
+        const PtrDictionary<phase>& phases() const
+        {
+            return phases_;
+        }
+
+        //- Return the velocity
+        const volVectorField& U() const
+        {
+            return U_;
+        }
+
+        //- Return the volumetric flux
+        const surfaceScalarField& phi() const
+        {
+            return phi_;
+        }
+
+        const surfaceScalarField& rhoPhi() const
+        {
+            return rhoPhi_;
+        }
+
+        //- Return the mixture density
+        tmp<volScalarField> rho() const;
+
+        //- Return the mixture density for patch
+        tmp<scalarField> rho(const label patchi) const;
+
+        //- Return the dynamic laminar viscosity
+        tmp<volScalarField> mu() const;
+
+        //- Return the dynamic laminar viscosity for patch
+        tmp<scalarField> mu(const label patchi) const;
+
+        //- Return the face-interpolated dynamic laminar viscosity
+        tmp<surfaceScalarField> muf() const;
+
+        //- Return the kinematic laminar viscosity
+        tmp<volScalarField> nu() const;
+
+        //- Return the laminar viscosity for patch
+        tmp<scalarField> nu(const label patchi) const;
+
+        //- Return the face-interpolated dynamic laminar viscosity
+        tmp<surfaceScalarField> nuf() const;
+
+        tmp<surfaceScalarField> surfaceTensionForce() const
+        {
+            return surfaceTensionForce_;
+        }
+
+        //- Indicator of the proximity of the interface
+        //  Field values are 1 near and 0 away for the interface.
+        tmp<volScalarField> nearInterface() const;
+
+        //- Solve for the mixture phase-fractions
+        void solve();
+
+        //- Correct the mixture properties
+        void correct();
+
+        //- Read base transportProperties dictionary
+        bool read();
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/phase/phase.C

@@ -0,0 +1,98 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2015 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "phase.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::phase::phase
+(
+    const word& phaseName,
+    const dictionary& phaseDict,
+    const volVectorField& U,
+    const surfaceScalarField& phi
+)
+:
+    volScalarField
+    (
+        IOobject
+        (
+            IOobject::groupName("alpha", phaseName),
+            U.mesh().time().timeName(),
+            U.mesh(),
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        U.mesh()
+    ),
+    name_(phaseName),
+    phaseDict_(phaseDict),
+    nuModel_
+    (
+        viscosityModel::New
+        (
+            IOobject::groupName("nu", phaseName),
+            phaseDict_,
+            U,
+            phi
+        )
+    ),
+    rho_("rho", dimDensity, phaseDict_)
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+Foam::autoPtr<Foam::phase> Foam::phase::clone() const
+{
+    NotImplemented;
+    return autoPtr<phase>(NULL);
+}
+
+
+void Foam::phase::correct()
+{
+    nuModel_->correct();
+}
+
+
+bool Foam::phase::read(const dictionary& phaseDict)
+{
+    phaseDict_ = phaseDict;
+
+    if (nuModel_->read(phaseDict_))
+    {
+        phaseDict_.lookup("rho") >> rho_;
+
+        return true;
+    }
+    else
+    {
+        return false;
+    }
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/phase/phase.H

@@ -0,0 +1,163 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2015 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::phase
+
+Description
+    Single incompressible phase derived from the phase-fraction.
+    Used as part of the multiPhaseMixture for interface-capturing multi-phase
+    simulations.
+
+SourceFiles
+    phase.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef phase_H
+#define phase_H
+
+#include "volFields.H"
+#include "dictionaryEntry.H"
+#include "incompressible/viscosityModels/viscosityModel/viscosityModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class phase Declaration
+\*---------------------------------------------------------------------------*/
+
+class phase
+:
+    public volScalarField
+{
+    // Private data
+
+        word name_;
+        dictionary phaseDict_;
+        autoPtr<viscosityModel> nuModel_;
+        dimensionedScalar rho_;
+
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        phase
+        (
+            const word& name,
+            const dictionary& phaseDict,
+            const volVectorField& U,
+            const surfaceScalarField& phi
+        );
+
+        //- Return clone
+        autoPtr<phase> clone() const;
+
+        //- Return a pointer to a new phase created on freestore
+        //  from Istream
+        class iNew
+        {
+            const volVectorField& U_;
+            const surfaceScalarField& phi_;
+
+        public:
+
+            iNew
+            (
+                const volVectorField& U,
+                const surfaceScalarField& phi
+            )
+            :
+                U_(U),
+                phi_(phi)
+            {}
+
+            autoPtr<phase> operator()(Istream& is) const
+            {
+                dictionaryEntry ent(dictionary::null, is);
+                return autoPtr<phase>(new phase(ent.keyword(), ent, U_, phi_));
+            }
+        };
+
+
+    // Member Functions
+
+        const word& name() const
+        {
+            return name_;
+        }
+
+        const word& keyword() const
+        {
+            return name();
+        }
+
+        //- Return const-access to phase1 viscosityModel
+        const viscosityModel& nuModel() const
+        {
+            return nuModel_();
+        }
+
+        //- Return the kinematic laminar viscosity
+        tmp<volScalarField> nu() const
+        {
+            return nuModel_->nu();
+        }
+
+        //- Return the laminar viscosity for patch
+        tmp<scalarField> nu(const label patchi) const
+        {
+            return nuModel_->nu(patchi);
+        }
+
+        //- Return const-access to phase1 density
+        const dimensionedScalar& rho() const
+        {
+            return rho_;
+        }
+
+        //- Correct the phase properties
+        void correct();
+
+        //-Inherit read from volScalarField
+        using volScalarField::read;
+
+        //- Read base transportProperties dictionary
+        bool read(const dictionary& phaseDict);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/pEqn.H

@@ -0,0 +1,73 @@
+{
+    volScalarField rAU("rAU", 1.0/UEqn.A());
+    surfaceScalarField rAUepsf("rAUepsf", fvc::interpolate(rAU*voidfraction));
+    surfaceScalarField rAUepsSqf("rAUepsSqf", fvc::interpolate(rAU*voidfraction*voidfraction));
+    volVectorField Ueps("Ueps", U * voidfraction);
+
+    volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p_rgh));
+
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        fvc::flux(HbyA*voidfraction)
+      + fvc::interpolate(voidfraction*rho*rAU)*fvc::ddtCorr(U, phi)
+    );
+
+    adjustPhi(phiHbyA, U, p_rgh);
+
+    if (modelType == "A")
+        rAUepsf = rAUepsSqf;
+
+    surfaceScalarField phig (-ghf*fvc::snGrad(rho)*rAUepsf*mesh.magSf());
+
+    surfaceScalarField phiSt (mixture.surfaceTensionForce()*rAUepsSqf*mesh.magSf());
+
+    surfaceScalarField phiS (fvc::flux(voidfraction*Us*Ksl*rAU));
+
+    phiHbyA += phig + phiSt + phiS;
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p_rgh, Ueps, phiHbyA, rAUepsf);
+
+    while (pimple.correctNonOrthogonal())
+    {
+        fvScalarMatrix p_rghEqn
+        (
+            fvm::laplacian(rAUepsf, p_rgh) == particleCloud.ddtVoidfraction() + fvc::div(phiHbyA)
+        );
+
+        p_rghEqn.setReference(pRefCell, getRefCellValue(p_rgh, pRefCell));
+
+        p_rghEqn.solve(mesh.solver(p_rgh.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi = phiHbyA - p_rghEqn.flux();
+
+            p_rgh.relax();
+
+            if (modelType == "A")
+                U = HbyA + voidfraction*rAU*fvc::reconstruct((phig-p_rghEqn.flux()+phiSt)/rAUepsf) + rAU*Us*Ksl;
+            else
+                U = HbyA + rAU*fvc::reconstruct((phig-p_rghEqn.flux()+phiSt)/rAUepsf) + rAU*Us*Ksl;
+
+            U.correctBoundaryConditions();
+            fvOptions.correct(U);
+        }
+    }
+
+    #include "continuityErrs.H"
+
+    p == p_rgh + rho*gh;
+
+    if (p_rgh.needReference())
+    {
+        p += dimensionedScalar
+        (
+            "p",
+            p.dimensions(),
+            pRefValue - getRefCellValue(p, pRefCell)
+        );
+        p_rgh = p - rho*gh;
+    }
+}

applications/solvers/cfdemSolverMultiphaseScalar/Allwclean

@@ -0,0 +1,8 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+set -x
+
+wclean libso multiphaseMixtureScalar
+wclean
+
+#------------------------------------------------------------------------------

applications/solvers/cfdemSolverMultiphaseScalar/Allwmake

@@ -0,0 +1,12 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+
+# Parse arguments for library compilation
+targetType=libso
+. $WM_PROJECT_DIR/wmake/scripts/AllwmakeParseArguments
+set -x
+
+wmake $targetType multiphaseMixtureScalar
+wmake
+
+#------------------------------------------------------------------------------

applications/solvers/cfdemSolverMultiphaseScalar/CEqn.H

@@ -0,0 +1,22 @@
+        // get mixture properties
+        Cs = mixture.Cs();
+        diffusionCorrection = mixture.diffusionCorrection();
+        Deff = particleCloud.diffCoeffM().diffCoeff();
+
+        // get scalar source from DEM
+        particleCloud.massContributions(Sm);
+        particleCloud.massCoefficients(Smi);
+
+        fvScalarMatrix CEqn
+        (
+            fvm::ddt(voidfraction,C)
+          + fvm::div(phi,C)
+          - fvm::laplacian(Deff*voidfraction,C)
+          + fvm::div(fvc::interpolate(Deff*voidfraction)*diffusionCorrection*mesh.magSf(), C)
+          ==
+            Sm + fvm::Sp(Smi,C)
+        );
+
+        CEqn.relax();
+        fvOptions.constrain(CEqn);
+        CEqn.solve();

applications/solvers/cfdemSolverMultiphaseScalar/EEqn.H

@@ -0,0 +1,22 @@
+        // get mixture properties
+        Cp = mixture.Cp();
+        kf = mixture.kf();
+
+        // get scalar source from DEM
+        particleCloud.energyContributions(Qsource);
+        particleCloud.energyCoefficients(QCoeff);
+
+        fvScalarMatrix EEqn
+        (
+            rho*Cp*(fvm::ddt(voidfraction,T)
+          + fvm::div(phi,T))
+          - fvm::laplacian(thCond*voidfraction,T)
+          ==
+            Qsource + fvm::Sp(QCoeff,T)
+        );
+
+
+        EEqn.relax();
+        fvOptions.constrain(EEqn);
+        EEqn.solve();
+

applications/solvers/cfdemSolverMultiphaseScalar/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverMultiphaseScalar.C
+
+EXE = $(CFDEM_APP_DIR)/cfdemSolverMultiphaseScalar

applications/solvers/cfdemSolverMultiphaseScalar/Make/options

@@ -0,0 +1,34 @@
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+     $(PFLAGS) \
+    -ImultiphaseMixtureScalar/lnInclude \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/transportModels/interfaceProperties/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -Wno-deprecated-copy
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lcfdemMultiphaseInterFoamScalar \
+    -linterfaceProperties \
+    -lincompressibleTransportModels \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lfiniteVolume \
+    -lfvOptions \
+    -lmeshTools \
+    -lsampling \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverMultiphaseScalar/UEqn.H

@@ -0,0 +1,61 @@
+const surfaceScalarField& rhoPhi(mixture.rhoPhi());
+
+volScalarField muEff = rho*(turbulence->nu() + turbulence->nut());
+
+if (modelType == "A")
+    muEff *= voidfraction;
+
+fvVectorMatrix UEqn
+(
+    fvm::ddt(rhoEps, U) - fvm::Sp(fvc::ddt(rhoEps),U)
+  + fvm::div(rhoPhi, U) - fvm::Sp(fvc::div(rhoPhi),U)
+  //+ particleCloud.divVoidfractionTau(U, voidfraction)
+  - fvm::laplacian(muEff, U) - fvc::div(muEff*dev2(fvc::grad(U)().T()))
+  ==
+    fvOptions(rho, U)
+  - fvm::Sp(Ksl,U)
+);
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (pimple.momentumPredictor() && (modelType=="B" || modelType=="Bfull"))
+{
+    solve
+    (
+        UEqn
+     ==
+        fvc::reconstruct
+        (
+            (- ghf*fvc::snGrad(rho) - fvc::snGrad(p_rgh)) * mesh.magSf()
+        )
+     +
+        fvc::reconstruct
+        (
+            mixture.surfaceTensionForce() * mesh.magSf()
+        ) * voidfraction
+     + Ksl*Us
+    );
+
+    fvOptions.correct(U);
+}
+else if (pimple.momentumPredictor())
+{
+    solve
+    (
+        UEqn
+     ==
+        fvc::reconstruct
+        (
+            (
+                mixture.surfaceTensionForce()
+              - ghf*fvc::snGrad(rho)
+              - fvc::snGrad(p_rgh)
+            ) * mesh.magSf()
+        ) * voidfraction
+     + Ksl*Us
+    );
+
+    fvOptions.correct(U);
+}

applications/solvers/cfdemSolverMultiphaseScalar/additionalChecks.H

@@ -0,0 +1,17 @@
+// Additional solver-specific checks
+
+// Useful if one wants to e.g. initialize floating particles using the Archimedes model
+if (particleCloud.couplingProperties().found("unrestrictedForceModelSelection"))
+{
+    Warning << "Using unrestrictedForceModelSelection, results may be incorrect!" << endl;
+} else
+{
+    #include "checkModelType.H"
+}
+
+word modelType = particleCloud.modelType();
+
+if(!particleCloud.couplingProperties().found("useDDTvoidfraction"))
+{
+    Warning << "Suppressing ddt(voidfraction) is not recommended with this solver as it may generate incorrect results!" << endl;
+}

applications/solvers/cfdemSolverMultiphaseScalar/alphaCourantNo.H

@@ -0,0 +1,21 @@
+scalar alphaCoNum = 0.0;
+scalar meanAlphaCoNum = 0.0;
+
+if (mesh.nInternalFaces())
+{
+    scalarField sumPhi
+    (
+        mixture.nearInterface()().primitiveField()
+       *fvc::surfaceSum(mag(phi))().primitiveField()
+    );
+
+    alphaCoNum = 0.5*gMax(sumPhi/mesh.V().field())*runTime.deltaTValue();
+
+    meanAlphaCoNum =
+        0.5*(gSum(sumPhi)/gSum(mesh.V().field()))*runTime.deltaTValue();
+}
+
+Info<< "Interface Courant Number mean: " << meanAlphaCoNum
+    << " max: " << alphaCoNum << endl;
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphaseScalar/cfdemSolverMultiphaseScalar.C

@@ -0,0 +1,164 @@
+/*---------------------------------------------------------------------------*\
+License
+
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2018- Mathias Vångö, JKU Linz, Austria
+
+Application
+    cfdemSolverMultiphaseScalar
+
+Description
+    CFD-DEM solver for n incompressible fluids which captures the interfaces and
+    includes surface-tension and contact-angle effects for each phase. It is based
+    on the OpenFOAM(R)-4.x solver multiphaseInterFoam but extended to incorporate
+    DEM functionalities from the open-source DEM code LIGGGHTS.
+
+    Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "multiphaseMixtureScalar.H"
+#include "turbulentTransportModel.H"
+#include "pimpleControl.H"
+#include "fvOptions.H"
+#include "CorrectPhi.H"
+
+#include "cfdemCloudEnergy.H"
+#include "implicitCouple.H"
+#include "clockModel.H"
+#include "smoothingModel.H"
+#include "forceModel.H"
+#include "thermCondModel.H"
+#include "diffCoeffModel.H"
+#include "energyModel.H"
+#include "massTransferModel.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+#if OPENFOAM_VERSION_MAJOR >= 6
+    FatalError << "cfdemSolverMultiphase requires OpenFOAM 4.x or 5.x to work properly" << exit(FatalError);
+#endif
+
+    #include "postProcess.H"
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "initContinuityErrs.H"
+    #include "createFields.H"
+    #include "createFvOptions.H"
+    #include "correctPhi.H"
+    #include "CourantNo.H"
+
+    turbulence->validate();
+
+    // create cfdemCloud
+    cfdemCloudEnergy particleCloud(mesh);
+
+    #include "additionalChecks.H"
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    while (runTime.loop())
+    {
+        #include "CourantNo.H"
+        #include "alphaCourantNo.H"
+
+        particleCloud.clockM().start(1,"Global");
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        particleCloud.clockM().start(2,"Coupling");
+        bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
+
+        if(hasEvolved)
+        {
+            particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
+        }
+
+        Info << "update Ksl.internalField()" << endl;
+        Ksl = particleCloud.momCoupleM(0).impMomSource();
+        Ksl.correctBoundaryConditions();
+
+       //Force Checks
+       vector fTotal(0,0,0);
+       vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
+       reduce(fImpTotal, sumOp<vector>());
+       Info << "TotalForceExp: " << fTotal << endl;
+       Info << "TotalForceImp: " << fImpTotal << endl;
+
+        #include "solverDebugInfo.H"
+        particleCloud.clockM().stop("Coupling");
+
+        particleCloud.clockM().start(26,"Flow");
+
+        if(particleCloud.solveFlow())
+        {
+            mixture.solve();
+            rho = mixture.rho();
+            rhoEps = rho * voidfraction;
+
+            #include "EEqn.H"
+            #include "CEqn.H"
+
+             // --- Pressure-velocity PIMPLE corrector loop
+            while (pimple.loop())
+            {
+                #include "UEqn.H"
+
+                // --- Pressure corrector loop
+                while (pimple.correct())
+                {
+                    #include "pEqn.H"
+                }
+
+                if (pimple.turbCorr())
+                {
+                    turbulence->correct();
+                }
+            }
+        }
+        else
+        {
+            Info << "skipping flow solution." << endl;
+        }
+
+        particleCloud.clockM().start(31,"postFlow");
+        particleCloud.postFlow();
+        particleCloud.clockM().stop("postFlow");
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphaseScalar/correctPhi.H

@@ -0,0 +1,11 @@
+CorrectPhi
+(
+    U,
+    phi,
+    p_rgh,
+    dimensionedScalar("rAUf", dimTime/rho.dimensions(), 1),
+    geometricZeroField(),
+    pimple
+);
+
+#include "continuityErrs.H"

applications/solvers/cfdemSolverMultiphaseScalar/createFields.H

@@ -0,0 +1,342 @@
+//===============================
+// particle interaction modelling
+//===============================
+
+Info<< "\nReading momentum exchange field Ksl\n" << endl;
+volScalarField Ksl
+(
+    IOobject
+    (
+        "Ksl",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+        ),
+    mesh
+    //dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 1.0)
+);
+
+Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
+volScalarField voidfraction
+(
+    IOobject
+    (
+        "voidfraction",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+        ),
+    mesh
+);
+voidfraction.oldTime();
+
+Info<< "Reading particle velocity field Us\n" << endl;
+volVectorField Us
+(
+    IOobject
+    (
+        "Us",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+        ),
+    mesh
+);
+
+Info<< "Reading field p_rgh\n" << endl;
+volScalarField p_rgh
+(
+    IOobject
+    (
+        "p_rgh",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh
+);
+
+Info<< "Reading field U\n" << endl;
+volVectorField U
+(
+    IOobject
+    (
+        "U",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh
+);
+
+Info<< "Reading/calculating face flux field phi\n" << endl;
+surfaceScalarField phi
+ (
+     IOobject
+     (
+        "phi",
+        runTime.timeName(),
+         mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+     ),
+     linearInterpolate(U*voidfraction) & mesh.Sf()
+ );
+
+multiphaseMixtureScalar mixture(U, phi, voidfraction);
+
+// Need to store rho for ddt(rho, U)
+volScalarField rho
+(
+    IOobject
+    (
+        "rho",
+        runTime.timeName(),
+        mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    mixture.rho()
+);
+rho.oldTime();
+
+//========================
+// scalar field modelling
+//========================
+Info<< "Reading/creating thermal fields\n" << endl;
+volScalarField T
+(
+    IOobject
+    (
+        "T",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh
+);
+
+volScalarField Qsource
+(
+    IOobject
+    (
+        "Qsource",
+        runTime.timeName(),
+        mesh,
+        IOobject::NO_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh,
+    dimensionedScalar("zero", dimensionSet(1,-1,-3,0,0,0,0), 0.0)
+);
+
+volScalarField QCoeff
+(
+    IOobject
+    (
+        "Qsource",
+        runTime.timeName(),
+        mesh,
+        IOobject::NO_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh,
+    dimensionedScalar("zero", dimensionSet(1,-1,-3,-1,0,0,0), 0.0)
+);
+
+volScalarField Cp
+(
+    IOobject
+    (
+        "Cp",
+        runTime.timeName(),
+        mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    mixture.Cp()
+);
+
+volScalarField kf
+(
+    IOobject
+    (
+        "kf",
+        runTime.timeName(),
+        mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    mixture.kf()
+);
+
+volScalarField thCond
+(
+    IOobject
+    (
+        "thCond",
+        runTime.timeName(),
+        mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    mesh,
+    dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0),
+    "zeroGradient"
+);
+
+Info<< "Reading/creating concentration fields\n" << endl;
+volScalarField C
+(
+    IOobject
+    (
+        "C",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh
+);
+
+volScalarField Sm
+(
+    IOobject
+    (
+        "Sm",
+        runTime.timeName(),
+        mesh,
+        IOobject::NO_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh,
+    dimensionedScalar("zero", dimensionSet(1,-3,-1,0,0,0,0), 0.0)
+);
+
+volScalarField Smi
+(
+    IOobject
+    (
+        "Smi",
+        runTime.timeName(),
+        mesh,
+        IOobject::NO_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh,
+    dimensionedScalar("zero", dimensionSet(0,0,-1,0,0,0,0), 0.0)
+);
+
+
+volScalarField D
+(
+    IOobject
+    (
+        "D",
+        runTime.timeName(),
+        mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    mixture.D()
+);
+
+volScalarField Deff
+(
+    IOobject
+    (
+        "Deff",
+        runTime.timeName(),
+        mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    mesh,
+    dimensionedScalar("zero", dimensionSet(0,2,-1,0,0,0,0), 0.0)
+);
+
+volScalarField Cs
+(
+    IOobject
+    (
+        "Cs",
+        runTime.timeName(),
+        mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    mixture.Cs()
+);
+
+surfaceScalarField diffusionCorrection
+(
+    IOobject
+    (
+        "diffusionCorrection",
+        runTime.timeName(),
+        mesh,
+        IOobject::NO_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mixture.diffusionCorrection()
+);
+
+//========================
+
+volScalarField rhoEps ("rhoEps", rho * voidfraction);
+
+// Construct incompressible turbulence model
+autoPtr<incompressible::turbulenceModel> turbulence
+(
+    incompressible::turbulenceModel::New(U, phi, mixture)
+);
+
+
+#include "readGravitationalAcceleration.H"
+#include "readhRef.H"
+#include "gh.H"
+
+
+volScalarField p
+(
+    IOobject
+    (
+        "p",
+        runTime.timeName(),
+        mesh,
+        IOobject::NO_READ,
+        IOobject::AUTO_WRITE
+    ),
+    p_rgh + rho*gh
+);
+
+label pRefCell = 0;
+scalar pRefValue = 0.0;
+setRefCell
+(
+    p,
+    p_rgh,
+    pimple.dict(),
+    pRefCell,
+    pRefValue
+);
+
+if (p_rgh.needReference())
+{
+    p += dimensionedScalar
+    (
+        "p",
+        p.dimensions(),
+        pRefValue - getRefCellValue(p, pRefCell)
+    );
+}
+
+mesh.setFluxRequired(p_rgh.name());
+
+

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/Make/files

@@ -0,0 +1,5 @@
+phase/phase.C
+alphaContactAngle/alphaContactAngleFvPatchScalarField.C
+multiphaseMixtureScalar.C
+
+LIB = $(CFDEM_LIB_DIR)/libcfdemMultiphaseInterFoamScalar

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/Make/options

@@ -0,0 +1,18 @@
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+
+EXE_INC = \
+     $(PFLAGS) \
+    -IalphaContactAngle \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/transportModels/interfaceProperties/lnInclude \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -Wno-deprecated-copy
+
+LIB_LIBS = \
+    -linterfaceProperties \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/alphaContactAngle/alphaContactAngleFvPatchScalarField.C

@@ -0,0 +1,146 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "alphaContactAngleFvPatchScalarField.H"
+#include "addToRunTimeSelectionTable.H"
+#include "fvPatchFieldMapper.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+alphaContactAngleFvPatchScalarField::interfaceThetaProps::interfaceThetaProps
+(
+    Istream& is
+)
+:
+    theta0_(readScalar(is)),
+    uTheta_(readScalar(is)),
+    thetaA_(readScalar(is)),
+    thetaR_(readScalar(is))
+{}
+
+
+Istream& operator>>
+(
+    Istream& is,
+    alphaContactAngleFvPatchScalarField::interfaceThetaProps& tp
+)
+{
+    is >> tp.theta0_ >> tp.uTheta_ >> tp.thetaA_ >> tp.thetaR_;
+    return is;
+}
+
+
+Ostream& operator<<
+(
+    Ostream& os,
+    const alphaContactAngleFvPatchScalarField::interfaceThetaProps& tp
+)
+{
+    os  << tp.theta0_ << token::SPACE
+        << tp.uTheta_ << token::SPACE
+        << tp.thetaA_ << token::SPACE
+        << tp.thetaR_;
+
+    return os;
+}
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    zeroGradientFvPatchScalarField(p, iF)
+{}
+
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const alphaContactAngleFvPatchScalarField& gcpsf,
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const fvPatchFieldMapper& mapper
+)
+:
+    zeroGradientFvPatchScalarField(gcpsf, p, iF, mapper),
+    thetaProps_(gcpsf.thetaProps_)
+{}
+
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const dictionary& dict
+)
+:
+    zeroGradientFvPatchScalarField(p, iF),
+    thetaProps_(dict.lookup("thetaProperties"))
+{
+    evaluate();
+}
+
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const alphaContactAngleFvPatchScalarField& gcpsf,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    zeroGradientFvPatchScalarField(gcpsf, iF),
+    thetaProps_(gcpsf.thetaProps_)
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void alphaContactAngleFvPatchScalarField::write(Ostream& os) const
+{
+    fvPatchScalarField::write(os);
+    os.writeKeyword("thetaProperties")
+        << thetaProps_ << token::END_STATEMENT << nl;
+    writeEntry("value", os);
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+makePatchTypeField
+(
+    fvPatchScalarField,
+    alphaContactAngleFvPatchScalarField
+);
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/alphaContactAngle/alphaContactAngleFvPatchScalarField.H

@@ -0,0 +1,215 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::alphaContactAngleFvPatchScalarField
+
+Description
+    Contact-angle boundary condition for multi-phase interface-capturing
+    simulations.  Used in conjuction with multiphaseMixtureScalar.
+
+SourceFiles
+    alphaContactAngleFvPatchScalarField.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef alphaContactAngleFvPatchScalarField_H
+#define alphaContactAngleFvPatchScalarField_H
+
+#include "zeroGradientFvPatchFields.H"
+#include "multiphaseMixtureScalar.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class alphaContactAngleFvPatch Declaration
+\*---------------------------------------------------------------------------*/
+
+class alphaContactAngleFvPatchScalarField
+:
+    public zeroGradientFvPatchScalarField
+{
+public:
+
+    class interfaceThetaProps
+    {
+        //- Equilibrium contact angle
+        scalar theta0_;
+
+        //- Dynamic contact angle velocity scale
+        scalar uTheta_;
+
+        //- Limiting advancing contact angle
+        scalar thetaA_;
+
+        //- Limiting receeding contact angle
+        scalar thetaR_;
+
+
+    public:
+
+        // Constructors
+            interfaceThetaProps()
+            {}
+
+            interfaceThetaProps(Istream&);
+
+
+        // Member functions
+
+            //- Return the equilibrium contact angle theta0
+            scalar theta0(bool matched=true) const
+            {
+                if (matched) return theta0_;
+                else return 180.0 - theta0_;
+            }
+
+            //- Return the dynamic contact angle velocity scale
+            scalar uTheta() const
+            {
+                return uTheta_;
+            }
+
+            //- Return the limiting advancing contact angle
+            scalar thetaA(bool matched=true) const
+            {
+                if (matched) return thetaA_;
+                else return 180.0 - thetaA_;
+            }
+
+            //- Return the limiting receeding contact angle
+            scalar thetaR(bool matched=true) const
+            {
+                if (matched) return thetaR_;
+                else return 180.0 - thetaR_;
+            }
+
+
+        // IO functions
+
+            friend Istream& operator>>(Istream&, interfaceThetaProps&);
+            friend Ostream& operator<<(Ostream&, const interfaceThetaProps&);
+    };
+
+    typedef HashTable
+    <
+        interfaceThetaProps,
+        multiphaseMixtureScalar::interfacePair,
+        multiphaseMixtureScalar::interfacePair::hash
+    > thetaPropsTable;
+
+
+private:
+
+    // Private data
+
+        thetaPropsTable thetaProps_;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("alphaContactAngle");
+
+
+    // Constructors
+
+        //- Construct from patch and internal field
+        alphaContactAngleFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct from patch, internal field and dictionary
+        alphaContactAngleFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const dictionary&
+        );
+
+        //- Construct by mapping given alphaContactAngleFvPatchScalarField
+        //  onto a new patch
+        alphaContactAngleFvPatchScalarField
+        (
+            const alphaContactAngleFvPatchScalarField&,
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const fvPatchFieldMapper&
+        );
+
+        //- Construct and return a clone
+        virtual tmp<fvPatchScalarField> clone() const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new alphaContactAngleFvPatchScalarField(*this)
+            );
+        }
+
+        //- Construct as copy setting internal field reference
+        alphaContactAngleFvPatchScalarField
+        (
+            const alphaContactAngleFvPatchScalarField&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct and return a clone setting internal field reference
+        virtual tmp<fvPatchScalarField> clone
+        (
+            const DimensionedField<scalar, volMesh>& iF
+        ) const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new alphaContactAngleFvPatchScalarField(*this, iF)
+            );
+        }
+
+
+    // Member functions
+
+        //- Return the contact angle properties
+        const thetaPropsTable& thetaProps() const
+        {
+            return thetaProps_;
+        }
+
+        //- Write
+        virtual void write(Ostream&) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/multiphaseMixtureScalar.C

@@ -0,0 +1,929 @@
+/*---------------------------------------------------------------------------*\
+License
+
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2018- Mathias Vångö, JKU Linz, Austria
+
+\*---------------------------------------------------------------------------*/
+
+#include "multiphaseMixtureScalar.H"
+#include "alphaContactAngleFvPatchScalarField.H"
+#include "Time.H"
+#include "subCycle.H"
+#include "MULES.H"
+#include "surfaceInterpolate.H"
+#include "fvcGrad.H"
+#include "fvcSnGrad.H"
+#include "fvcDiv.H"
+#include "fvcFlux.H"
+
+// * * * * * * * * * * * * * * * Static Member Data  * * * * * * * * * * * * //
+
+const Foam::scalar Foam::multiphaseMixtureScalar::convertToRad =
+    Foam::constant::mathematical::pi/180.0;
+
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+void Foam::multiphaseMixtureScalar::calcAlphas()
+{
+    scalar level = 0.0;
+    alphas_ == 0.0;
+
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        alphas_ += level*iter();
+        level += 1.0;
+    }
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixtureScalar::calcNu() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    // 1/nu
+    tmp<volScalarField> tnuInv = iter()/iter().nu();
+    volScalarField& nuInv = tnuInv.ref();
+
+    // nu
+    tmp<volScalarField> tnu = iter()*iter().nu();
+    volScalarField& nu = tnu.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        nuInv += iter()/iter().nu();
+    }
+
+    nu = 1/nuInv;
+
+    return tnu;
+}
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixtureScalar::calcStf() const
+{
+    tmp<surfaceScalarField> tstf
+    (
+        new surfaceScalarField
+        (
+            IOobject
+            (
+                "stf",
+                mesh_.time().timeName(),
+                mesh_
+            ),
+            mesh_,
+            dimensionedScalar
+            (
+                "stf",
+                dimensionSet(1, -2, -2, 0, 0),
+                0.0
+            )
+        )
+    );
+
+    surfaceScalarField& stf = tstf.ref();
+
+    forAllConstIter(PtrDictionary<phase>, phases_, iter1)
+    {
+        const phase& alpha1 = iter1();
+
+        PtrDictionary<phase>::const_iterator iter2 = iter1;
+        ++iter2;
+
+        for (; iter2 != phases_.end(); ++iter2)
+        {
+            const phase& alpha2 = iter2();
+
+            sigmaTable::const_iterator sigma =
+                sigmas_.find(interfacePair(alpha1, alpha2));
+
+            if (sigma == sigmas_.end())
+            {
+                FatalErrorInFunction
+                    << "Cannot find interface " << interfacePair(alpha1, alpha2)
+                    << " in list of sigma values"
+                    << exit(FatalError);
+            }
+
+            stf += dimensionedScalar("sigma", dimSigma_, sigma())
+               *fvc::interpolate(K(alpha1, alpha2))*
+                (
+                    fvc::interpolate(alpha2)*fvc::snGrad(alpha1)
+                  - fvc::interpolate(alpha1)*fvc::snGrad(alpha2)
+                );
+        }
+    }
+
+    return tstf;
+}
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::multiphaseMixtureScalar::multiphaseMixtureScalar
+(
+    const volVectorField& U,
+    const surfaceScalarField& phi,
+    const volScalarField& voidfraction
+)
+:
+    IOdictionary
+    (
+        IOobject
+        (
+            "transportProperties",
+            U.time().constant(),
+            U.db(),
+            IOobject::MUST_READ_IF_MODIFIED,
+            IOobject::NO_WRITE
+        )
+    ),
+
+    phases_(lookup("phases"), phase::iNew(U, phi)),
+
+    mesh_(U.mesh()),
+    U_(U),
+    phi_(phi),
+    voidfraction_(voidfraction),
+    rhoPhi_
+    (
+        IOobject
+        (
+            "rhoPhi",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("rhoPhi", dimMass/dimTime, 0.0)
+    ),
+    surfaceTensionForce_
+    (
+        IOobject
+        (
+            "surfaceTensionForce",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("surfaceTensionForce", dimensionSet(1, -2, -2, 0, 0), 0.0)
+    ),
+    alphas_
+    (
+        IOobject
+        (
+            "alphas",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("alphas", dimless, 0.0)
+    ),
+
+    nu_
+    (
+        IOobject
+        (
+            "nu",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        calcNu()
+    ),
+
+    sigmas_(lookup("sigmas")),
+    dimSigma_(1, 0, -2, 0, 0),
+    deltaN_
+    (
+        "deltaN",
+        1e-8/pow(average(mesh_.V()), 1.0/3.0)
+    )
+{
+    calcAlphas();
+    alphas_.write();
+    surfaceTensionForce_ = calcStf();
+
+}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixtureScalar::rho() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<volScalarField> trho = iter()*iter().rho();
+    volScalarField& rho = trho.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        rho += iter()*iter().rho();
+    }
+
+    return trho;
+}
+
+
+Foam::tmp<Foam::scalarField>
+Foam::multiphaseMixtureScalar::rho(const label patchi) const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<scalarField> trho = iter().boundaryField()[patchi]*iter().rho().value();
+    scalarField& rho = trho.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        rho += iter().boundaryField()[patchi]*iter().rho().value();
+    }
+
+    return trho;
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixtureScalar::mu() const
+{
+    Info << "In multiphaseMixtureScalar mu()" << endl;
+    return rho()*nu();
+//    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+//    tmp<volScalarField> tmu = iter()*iter().rho()*iter().nu();
+//    volScalarField& mu = tmu.ref();
+
+//    for (++iter; iter != phases_.end(); ++iter)
+//    {
+//        mu += iter()*iter().rho()*iter().nu();
+//    }
+
+//    return tmu;
+}
+
+
+Foam::tmp<Foam::scalarField>
+Foam::multiphaseMixtureScalar::mu(const label patchi) const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<scalarField> tmu =
+        iter().boundaryField()[patchi]
+       *iter().rho().value()
+       *iter().nu(patchi);
+    scalarField& mu = tmu.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        mu +=
+            iter().boundaryField()[patchi]
+           *iter().rho().value()
+           *iter().nu(patchi);
+    }
+
+    return tmu;
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixtureScalar::muf() const
+{
+
+    return nuf()*fvc::interpolate(rho());
+//    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+//    tmp<surfaceScalarField> tmuf =
+//            fvc::interpolate(iter())*iter().rho()*fvc::interpolate(iter().nu());
+//    surfaceScalarField& muf = tmuf.ref();
+
+//    for (++iter; iter != phases_.end(); ++iter)
+//    {
+//        muf +=
+//                fvc::interpolate(iter())*iter().rho()*fvc::interpolate(iter().nu());
+//    }
+
+//    return tmuf;
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixtureScalar::nu() const
+{
+    return nu_;
+}
+
+Foam::tmp<Foam::scalarField>
+Foam::multiphaseMixtureScalar::nu(const label patchi) const
+{
+    //return nu_.boundaryField()[patchi];
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<scalarField> tnu =
+        iter().boundaryField()[patchi]
+       *iter().nu(patchi);
+    scalarField& nu = tnu.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        nu +=
+            iter().boundaryField()[patchi]
+           *iter().nu(patchi);
+    }
+
+    return tnu;
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixtureScalar::nuf() const
+{
+    //return muf()/fvc::interpolate(rho());
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<surfaceScalarField> tnuf =
+        fvc::interpolate(iter())*fvc::interpolate(iter().nu());
+    surfaceScalarField& nuf = tnuf.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        nuf +=
+            fvc::interpolate(iter())*fvc::interpolate(iter().nu());
+    }
+
+    return tnuf;
+}
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixtureScalar::Cp() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    // rho*Cp
+    tmp<volScalarField> trhoCp = iter()*iter().Cp()*iter().rho();
+    volScalarField& rhoCp = trhoCp.ref();
+
+    // Cp
+    tmp<volScalarField> tCp = iter()*iter().Cp();
+    volScalarField& Cp = tCp.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        rhoCp += iter()*iter().Cp()*iter().rho();
+    }
+    Cp = rhoCp/rho();
+    return tCp;
+}
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixtureScalar::kf() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    // rho*Cp/kf
+    tmp<volScalarField> trhoCpkf = iter()*iter().rho()*iter().Cp()/iter().kf();
+    volScalarField& rhoCpkf = trhoCpkf.ref();
+
+    // kf
+    tmp<volScalarField> tkf = iter()*iter().kf();
+    volScalarField& kf = tkf.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+      rhoCpkf += iter()*iter().rho()*iter().Cp()/iter().kf();
+    }
+
+    kf = rho()*Cp()/rhoCpkf;
+    return tkf;
+}
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixtureScalar::D() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    // 1/D
+    tmp<volScalarField> tDInv = iter()/iter().D();
+    volScalarField& DInv = tDInv.ref();
+
+    // D
+    tmp<volScalarField> tD = iter()*iter().D();
+    volScalarField& D = tD.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+      DInv += iter()/iter().D();
+    }
+
+    D = 1/DInv;
+    return tD;
+}
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixtureScalar::Cs() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    // Cs
+    tmp<volScalarField> tCs = iter()*iter().Cs();
+    volScalarField& Cs = tCs.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        Cs += iter()*iter().Cs();
+    }
+
+    return tCs;
+}
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixtureScalar::diffusionCorrection() const
+{
+
+    surfaceScalarField numerator
+    (
+        IOobject
+        (
+            "numerator",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("zero", dimless/dimLength, 0.0)
+    );
+
+    surfaceScalarField denominator
+    (
+        IOobject
+        (
+            "denominator",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("zero", dimless, 0.0)
+    );
+
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+    const phase& alpha1 = iter();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        const phase& alpha2 = iter();
+        scalar He = alpha1.Cs().value() / (alpha2.Cs().value() + SMALL);
+
+        numerator   += (1/He - 1) * fvc::snGrad(alpha2);
+        denominator += fvc::interpolate(alpha2) * (1/He - 1);
+    }
+
+    tmp<surfaceScalarField> correction = numerator / (denominator + 1 + SMALL);
+
+    /*
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    const phase& alphaL = iter();
+    ++iter;
+    const phase& alphaG = iter();
+    scalar He = alphaG.Cs().value() / (alphaL.Cs().value() + SMALL);
+
+    surfaceScalarField gradAlphaL = fvc::snGrad(alphaL);
+    surfaceScalarField surfAlphaL = fvc::interpolate(alphaL);
+
+    tmp<surfaceScalarField> correction = (1-He)/(surfAlphaL + He*(1-surfAlphaL) + 10*SMALL) * gradAlphaL;
+    */
+    return correction;
+}
+
+void Foam::multiphaseMixtureScalar::solve()
+{
+    correct();
+
+    const Time& runTime = mesh_.time();
+
+    volScalarField& alpha = phases_.first();
+
+    const dictionary& alphaControls = mesh_.solverDict("alpha");
+    label nAlphaSubCycles(readLabel(alphaControls.lookup("nAlphaSubCycles")));
+    scalar cAlpha(readScalar(alphaControls.lookup("cAlpha")));
+
+    if (nAlphaSubCycles > 1)
+    {
+        surfaceScalarField rhoPhiSum
+        (
+            IOobject
+            (
+                "rhoPhiSum",
+                runTime.timeName(),
+                mesh_
+            ),
+            mesh_,
+            dimensionedScalar("0", rhoPhi_.dimensions(), 0)
+        );
+
+        dimensionedScalar totalDeltaT = runTime.deltaT();
+
+        for
+        (
+            subCycle<volScalarField> alphaSubCycle(alpha, nAlphaSubCycles);
+            !(++alphaSubCycle).end();
+        )
+        {
+            FatalError << "Sub-cycling of the alpha equation not yet implemented!!" << abort(FatalError);
+            solveAlphas(cAlpha);
+            rhoPhiSum += (runTime.deltaT()/totalDeltaT)*rhoPhi_;
+        }
+
+        rhoPhi_ = rhoPhiSum;
+    }
+    else
+    {
+        solveAlphas(cAlpha);
+    }
+
+    // Update the mixture kinematic viscosity
+    nu_ = calcNu();
+
+    surfaceTensionForce_ = calcStf();
+}
+
+
+void Foam::multiphaseMixtureScalar::correct()
+{
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        iter().correct();
+    }
+}
+
+
+Foam::tmp<Foam::surfaceVectorField> Foam::multiphaseMixtureScalar::nHatfv
+(
+    const volScalarField& alpha1,
+    const volScalarField& alpha2
+) const
+{
+    /*
+    // Cell gradient of alpha
+    volVectorField gradAlpha =
+        alpha2*fvc::grad(alpha1) - alpha1*fvc::grad(alpha2);
+
+    // Interpolated face-gradient of alpha
+    surfaceVectorField gradAlphaf = fvc::interpolate(gradAlpha);
+    */
+
+    surfaceVectorField gradAlphaf
+    (
+        fvc::interpolate(alpha2)*fvc::interpolate(fvc::grad(alpha1))
+      - fvc::interpolate(alpha1)*fvc::interpolate(fvc::grad(alpha2))
+    );
+
+    // Face unit interface normal
+    return gradAlphaf/(mag(gradAlphaf) + deltaN_);
+}
+
+
+Foam::tmp<Foam::surfaceScalarField> Foam::multiphaseMixtureScalar::nHatf
+(
+    const volScalarField& alpha1,
+    const volScalarField& alpha2
+) const
+{
+    // Face unit interface normal flux
+    return nHatfv(alpha1, alpha2) & mesh_.Sf();
+}
+
+
+// Correction for the boundary condition on the unit normal nHat on
+// walls to produce the correct contact angle.
+
+// The dynamic contact angle is calculated from the component of the
+// velocity on the direction of the interface, parallel to the wall.
+
+void Foam::multiphaseMixtureScalar::correctContactAngle
+(
+    const phase& alpha1,
+    const phase& alpha2,
+    surfaceVectorField::Boundary& nHatb
+) const
+{
+    const volScalarField::Boundary& gbf
+        = alpha1.boundaryField();
+
+    const fvBoundaryMesh& boundary = mesh_.boundary();
+
+    forAll(boundary, patchi)
+    {
+        if (isA<alphaContactAngleFvPatchScalarField>(gbf[patchi]))
+        {
+            const alphaContactAngleFvPatchScalarField& acap =
+                refCast<const alphaContactAngleFvPatchScalarField>(gbf[patchi]);
+
+            vectorField& nHatPatch = nHatb[patchi];
+
+            vectorField AfHatPatch
+            (
+                mesh_.Sf().boundaryField()[patchi]
+               /mesh_.magSf().boundaryField()[patchi]
+            );
+
+            alphaContactAngleFvPatchScalarField::thetaPropsTable::
+                const_iterator tp =
+                acap.thetaProps().find(interfacePair(alpha1, alpha2));
+
+            if (tp == acap.thetaProps().end())
+            {
+                FatalErrorInFunction
+                    << "Cannot find interface " << interfacePair(alpha1, alpha2)
+                    << "\n    in table of theta properties for patch "
+                    << acap.patch().name()
+                    << exit(FatalError);
+            }
+
+            bool matched = (tp.key().first() == alpha1.name());
+
+            scalar theta0 = convertToRad*tp().theta0(matched);
+            scalarField theta(boundary[patchi].size(), theta0);
+
+            scalar uTheta = tp().uTheta();
+
+            // Calculate the dynamic contact angle if required
+            if (uTheta > SMALL)
+            {
+                scalar thetaA = convertToRad*tp().thetaA(matched);
+                scalar thetaR = convertToRad*tp().thetaR(matched);
+
+                // Calculated the component of the velocity parallel to the wall
+                vectorField Uwall
+                (
+                    U_.boundaryField()[patchi].patchInternalField()
+                  - U_.boundaryField()[patchi]
+                );
+                Uwall -= (AfHatPatch & Uwall)*AfHatPatch;
+
+                // Find the direction of the interface parallel to the wall
+                vectorField nWall
+                (
+                    nHatPatch - (AfHatPatch & nHatPatch)*AfHatPatch
+                );
+
+                // Normalise nWall
+                nWall /= (mag(nWall) + SMALL);
+
+                // Calculate Uwall resolved normal to the interface parallel to
+                // the interface
+                scalarField uwall(nWall & Uwall);
+
+                theta += (thetaA - thetaR)*tanh(uwall/uTheta);
+            }
+
+
+            // Reset nHatPatch to correspond to the contact angle
+
+            scalarField a12(nHatPatch & AfHatPatch);
+
+            scalarField b1(cos(theta));
+
+            scalarField b2(nHatPatch.size());
+
+            forAll(b2, facei)
+            {
+                b2[facei] = cos(acos(a12[facei]) - theta[facei]);
+            }
+
+            scalarField det(1.0 - a12*a12);
+
+            scalarField a((b1 - a12*b2)/det);
+            scalarField b((b2 - a12*b1)/det);
+
+            nHatPatch = a*AfHatPatch + b*nHatPatch;
+
+            nHatPatch /= (mag(nHatPatch) + deltaN_.value());
+        }
+    }
+}
+
+
+Foam::tmp<Foam::volScalarField> Foam::multiphaseMixtureScalar::K
+(
+    const phase& alpha1,
+    const phase& alpha2
+) const
+{
+    tmp<surfaceVectorField> tnHatfv = nHatfv(alpha1, alpha2);
+
+    correctContactAngle(alpha1, alpha2, tnHatfv.ref().boundaryFieldRef());
+
+    // Simple expression for curvature
+    return -fvc::div(tnHatfv & mesh_.Sf());
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixtureScalar::nearInterface() const
+{
+    tmp<volScalarField> tnearInt
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                "nearInterface",
+                mesh_.time().timeName(),
+                mesh_
+            ),
+            mesh_,
+            dimensionedScalar("nearInterface", dimless, 0.0)
+        )
+    );
+
+    forAllConstIter(PtrDictionary<phase>, phases_, iter)
+    {
+        tnearInt.ref() = max(tnearInt(), pos(iter() - 0.01)*pos(0.99 - iter()));
+    }
+
+    return tnearInt;
+}
+
+
+void Foam::multiphaseMixtureScalar::solveAlphas
+(
+    const scalar cAlpha
+)
+{
+    static label nSolves=-1;
+    nSolves++;
+
+    word alphaScheme("div(phi,alpha)");
+    word alpharScheme("div(phirb,alpha)");
+
+    surfaceScalarField phic(mag(phi_/mesh_.magSf()));
+    phic = min(cAlpha*phic, max(phic));
+
+    PtrList<surfaceScalarField> alphaPhiCorrs(phases_.size());
+    int phasei = 0;
+
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        phase& alpha = iter();
+
+        alphaPhiCorrs.set
+        (
+            phasei,
+            new surfaceScalarField
+            (
+                "phi" + alpha.name() + "Corr",
+                fvc::flux
+                (
+                    phi_,
+                    alpha,
+                    alphaScheme
+                )
+            )
+        );
+
+        surfaceScalarField& alphaPhiCorr = alphaPhiCorrs[phasei];
+
+        forAllIter(PtrDictionary<phase>, phases_, iter2)
+        {
+            phase& alpha2 = iter2();
+
+            if (&alpha2 == &alpha) continue;
+
+            surfaceScalarField phir(phic*nHatf(alpha, alpha2));
+
+            alphaPhiCorr += fvc::flux
+            (
+                -fvc::flux(-phir, alpha2, alpharScheme),
+                alpha,
+                alpharScheme
+            );
+        }
+
+        MULES::limit
+        (
+            1.0/mesh_.time().deltaT().value(),
+            voidfraction_,
+            alpha,
+            phi_,
+            alphaPhiCorr,
+            zeroField(),
+            zeroField(),
+#if OPENFOAM_VERSION_MAJOR < 6
+            1,
+            0,
+#else
+            oneField(),
+            zeroField(),
+#endif
+            true
+        );
+
+        phasei++;
+    }
+
+    MULES::limitSum(alphaPhiCorrs);
+
+    rhoPhi_ = dimensionedScalar("0", dimensionSet(1, 0, -1, 0, 0), 0);
+
+    volScalarField sumAlpha
+    (
+        IOobject
+        (
+            "sumAlpha",
+            mesh_.time().timeName(),
+            mesh_
+        ),
+        mesh_,
+        dimensionedScalar("sumAlpha", dimless, 0)
+    );
+
+    phasei = 0;
+
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        phase& alpha = iter();
+
+        surfaceScalarField& alphaPhi = alphaPhiCorrs[phasei];
+        alphaPhi += upwind<scalar>(mesh_, phi_).flux(alpha);
+
+        MULES::explicitSolve
+        (
+            voidfraction_,
+            alpha,
+            alphaPhi,
+            zeroField(),
+            zeroField()
+        );
+
+        rhoPhi_ += alphaPhi*alpha.rho();
+
+        Info<< alpha.name() << " volume fraction, min, max = "
+            << alpha.weightedAverage(mesh_.V()).value()
+            << ' ' << min(alpha).value()
+            << ' ' << max(alpha).value()
+            << endl;
+
+        sumAlpha += alpha;
+
+        phasei++;
+    }
+
+    Info<< "Phase-sum volume fraction, min, max = "
+        << sumAlpha.weightedAverage(mesh_.V()).value()
+        << ' ' << min(sumAlpha).value()
+        << ' ' << max(sumAlpha).value()
+        << endl;
+
+    calcAlphas();
+}
+
+
+bool Foam::multiphaseMixtureScalar::read()
+{
+    if (transportModel::read())
+    {
+        bool readOK = true;
+
+        PtrList<entry> phaseData(lookup("phases"));
+        label phasei = 0;
+
+        forAllIter(PtrDictionary<phase>, phases_, iter)
+        {
+            readOK &= iter().read(phaseData[phasei++].dict());
+        }
+
+        lookup("sigmas") >> sigmas_;
+
+        return readOK;
+    }
+    else
+    {
+        return false;
+    }
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/multiphaseMixtureScalar.H

@@ -0,0 +1,299 @@
+/*---------------------------------------------------------------------------*\
+License
+
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2018- Mathias Vångö, JKU Linz, Austria
+
+Class
+    multiphaseMixtureScalar
+
+Description
+    This class is based on the OpenFOAM(R) Foam::multiphaseMixtureScalar class,
+    which is an incompressible multi-phase mixture with built in solution
+    for the phase fractions with interface compression for interface-capturing.
+    It has been extended to include the void fraction in the volume fraction
+    transport equations.
+
+    Derived from transportModel so that it can be unsed in conjunction with
+    the incompressible turbulence models.
+
+    Surface tension and contact-angle is handled for the interface
+    between each phase-pair.
+
+SourceFiles
+    multiphaseMixtureScalar.C
+\*---------------------------------------------------------------------------*/
+
+#ifndef multiphaseMixtureScalar_H
+#define multiphaseMixtureScalar_H
+
+#include "incompressible/transportModel/transportModel.H"
+#include "IOdictionary.H"
+#include "phase.H"
+#include "PtrDictionary.H"
+#include "volFields.H"
+#include "surfaceFields.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                      Class multiphaseMixtureScalar Declaration
+\*---------------------------------------------------------------------------*/
+
+class multiphaseMixtureScalar
+:
+    public IOdictionary,
+    public transportModel
+{
+public:
+
+    class interfacePair
+    :
+        public Pair<word>
+    {
+    public:
+
+        class hash
+        :
+            public Hash<interfacePair>
+        {
+        public:
+
+            hash()
+            {}
+
+            label operator()(const interfacePair& key) const
+            {
+                return word::hash()(key.first()) + word::hash()(key.second());
+            }
+        };
+
+
+        // Constructors
+
+            interfacePair()
+            {}
+
+            interfacePair(const word& alpha1Name, const word& alpha2Name)
+            :
+                Pair<word>(alpha1Name, alpha2Name)
+            {}
+
+            interfacePair(const phase& alpha1, const phase& alpha2)
+            :
+                Pair<word>(alpha1.name(), alpha2.name())
+            {}
+
+
+        // Friend Operators
+
+            friend bool operator==
+            (
+                const interfacePair& a,
+                const interfacePair& b
+            )
+            {
+                return
+                (
+                    ((a.first() == b.first()) && (a.second() == b.second()))
+                 || ((a.first() == b.second()) && (a.second() == b.first()))
+                );
+            }
+
+            friend bool operator!=
+            (
+                const interfacePair& a,
+                const interfacePair& b
+            )
+            {
+                return (!(a == b));
+            }
+    };
+
+
+private:
+
+    // Private data
+
+        //- Dictionary of phases
+        PtrDictionary<phase> phases_;
+
+        const fvMesh& mesh_;
+        const volVectorField& U_;
+        const surfaceScalarField& phi_;
+        const volScalarField& voidfraction_;
+        surfaceScalarField rhoPhi_;
+        surfaceScalarField surfaceTensionForce_;
+        volScalarField alphas_;
+
+        volScalarField nu_;
+
+        typedef HashTable<scalar, interfacePair, interfacePair::hash>
+            sigmaTable;
+
+        sigmaTable sigmas_;
+        dimensionSet dimSigma_;
+
+        //- Stabilisation for normalisation of the interface normal
+        const dimensionedScalar deltaN_;
+
+        //- Conversion factor for degrees into radians
+        static const scalar convertToRad;
+
+
+    // Private member functions
+
+        void calcAlphas();
+
+        tmp<volScalarField> calcNu() const;
+
+        void solveAlphas(const scalar cAlpha);
+
+        tmp<surfaceVectorField> nHatfv
+        (
+            const volScalarField& alpha1,
+            const volScalarField& alpha2
+        ) const;
+
+        tmp<surfaceScalarField> nHatf
+        (
+            const volScalarField& alpha1,
+            const volScalarField& alpha2
+        ) const;
+
+        void correctContactAngle
+        (
+            const phase& alpha1,
+            const phase& alpha2,
+            surfaceVectorField::Boundary& nHatb
+        ) const;
+
+        tmp<volScalarField> K(const phase& alpha1, const phase& alpha2) const;
+        tmp<surfaceScalarField> calcStf() const;
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        multiphaseMixtureScalar
+        (
+            const volVectorField& U,
+            const surfaceScalarField& phi,
+            const volScalarField& voidfraction
+        );
+
+
+    //- Destructor
+    virtual ~multiphaseMixtureScalar()
+    {}
+
+
+    // Member Functions
+
+        //- Return the phases
+        const PtrDictionary<phase>& phases() const
+        {
+            return phases_;
+        }
+
+        //- Return the velocity
+        const volVectorField& U() const
+        {
+            return U_;
+        }
+
+        //- Return the volumetric flux
+        const surfaceScalarField& phi() const
+        {
+            return phi_;
+        }
+
+        const surfaceScalarField& rhoPhi() const
+        {
+            return rhoPhi_;
+        }
+
+        //- Return the mixture density
+        tmp<volScalarField> rho() const;
+
+        //- Return the mixture density for patch
+        tmp<scalarField> rho(const label patchi) const;
+
+        //- Return the dynamic laminar viscosity
+        tmp<volScalarField> mu() const;
+
+        //- Return the dynamic laminar viscosity for patch
+        tmp<scalarField> mu(const label patchi) const;
+
+        //- Return the face-interpolated dynamic laminar viscosity
+        tmp<surfaceScalarField> muf() const;
+
+        //- Return the kinematic laminar viscosity
+        tmp<volScalarField> nu() const;
+
+        //- Return the laminar viscosity for patch
+        tmp<scalarField> nu(const label patchi) const;
+
+        //- Return the face-interpolated dynamic laminar viscosity
+        tmp<surfaceScalarField> nuf() const;
+
+        //- Return the heat capacity
+        tmp<volScalarField> Cp() const;
+
+        //- Return the thermal conductivity
+        tmp<volScalarField> kf() const;
+
+        //- Return the diffusion coefficient
+        tmp<volScalarField> D() const;
+
+        //- Return the solubility
+        tmp<volScalarField> Cs() const;
+
+        //- Return the diffusion correction term
+        tmp<surfaceScalarField> diffusionCorrection() const;
+
+        tmp<surfaceScalarField> surfaceTensionForce() const
+        {
+            return surfaceTensionForce_;
+        }
+
+        //- Indicator of the proximity of the interface
+        //  Field values are 1 near and 0 away for the interface.
+        tmp<volScalarField> nearInterface() const;
+
+        //- Solve for the mixture phase-fractions
+        void solve();
+
+        //- Correct the mixture properties
+        void correct();
+
+        //- Read base transportProperties dictionary
+        bool read();
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/phase/phase.C

@@ -0,0 +1,107 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2015 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "phase.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::phase::phase
+(
+    const word& phaseName,
+    const dictionary& phaseDict,
+    const volVectorField& U,
+    const surfaceScalarField& phi
+)
+:
+    volScalarField
+    (
+        IOobject
+        (
+            IOobject::groupName("alpha", phaseName),
+            U.mesh().time().timeName(),
+            U.mesh(),
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        U.mesh()
+    ),
+    name_(phaseName),
+    phaseDict_(phaseDict),
+    nuModel_
+    (
+        viscosityModel::New
+        (
+            IOobject::groupName("nu", phaseName),
+            phaseDict_,
+            U,
+            phi
+        )
+    ),
+    rho_("rho", dimDensity, phaseDict_),
+    Cp_("Cp", (dimSpecificHeatCapacity), phaseDict_),
+    kf_("kf", (dimPower/dimLength/dimTemperature), phaseDict_),
+    D_("D", dimViscosity, phaseDict_),
+    Cs_("Cs", dimDensity, phaseDict_)
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+Foam::autoPtr<Foam::phase> Foam::phase::clone() const
+{
+    NotImplemented;
+    return autoPtr<phase>(NULL);
+}
+
+
+void Foam::phase::correct()
+{
+    nuModel_->correct();
+}
+
+
+bool Foam::phase::read(const dictionary& phaseDict)
+{
+    phaseDict_ = phaseDict;
+
+    phaseDict_.lookup("Cp") >> Cp_;
+    phaseDict_.lookup("kf") >> kf_;
+    phaseDict_.lookup("D") >> D_;
+    phaseDict_.lookup("Cs") >> Cs_;
+
+    if (nuModel_->read(phaseDict_))
+    {
+        phaseDict_.lookup("rho") >> rho_;
+
+        return true;
+    }
+    else
+    {
+        return false;
+    }
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/phase/phase.H

@@ -0,0 +1,190 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2015 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::phase
+
+Description
+    Single incompressible phase derived from the phase-fraction.
+    Used as part of the multiphaseMixtureScalar for interface-capturing multi-phase
+    simulations.
+
+SourceFiles
+    phase.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef phase_H
+#define phase_H
+
+#include "volFields.H"
+#include "dictionaryEntry.H"
+#include "incompressible/viscosityModels/viscosityModel/viscosityModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class phase Declaration
+\*---------------------------------------------------------------------------*/
+
+class phase
+:
+    public volScalarField
+{
+    // Private data
+
+        word name_;
+        dictionary phaseDict_;
+        autoPtr<viscosityModel> nuModel_;
+        dimensionedScalar rho_;
+        dimensionedScalar Cp_;
+        dimensionedScalar kf_;
+        dimensionedScalar D_;
+        dimensionedScalar Cs_;
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        phase
+        (
+            const word& name,
+            const dictionary& phaseDict,
+            const volVectorField& U,
+            const surfaceScalarField& phi
+        );
+
+        //- Return clone
+        autoPtr<phase> clone() const;
+
+        //- Return a pointer to a new phase created on freestore
+        //  from Istream
+        class iNew
+        {
+            const volVectorField& U_;
+            const surfaceScalarField& phi_;
+
+        public:
+
+            iNew
+            (
+                const volVectorField& U,
+                const surfaceScalarField& phi
+            )
+            :
+                U_(U),
+                phi_(phi)
+            {}
+
+            autoPtr<phase> operator()(Istream& is) const
+            {
+                dictionaryEntry ent(dictionary::null, is);
+                return autoPtr<phase>(new phase(ent.keyword(), ent, U_, phi_));
+            }
+        };
+
+
+    // Member Functions
+
+        const word& name() const
+        {
+            return name_;
+        }
+
+        const word& keyword() const
+        {
+            return name();
+        }
+
+        //- Return const-access to phase1 viscosityModel
+        const viscosityModel& nuModel() const
+        {
+            return nuModel_();
+        }
+
+        //- Return the kinematic laminar viscosity
+        tmp<volScalarField> nu() const
+        {
+            return nuModel_->nu();
+        }
+
+        //- Return the laminar viscosity for patch
+        tmp<scalarField> nu(const label patchi) const
+        {
+            return nuModel_->nu(patchi);
+        }
+
+        //- Return const-access to phase1 density
+        const dimensionedScalar& rho() const
+        {
+            return rho_;
+        }
+
+        //- Return const-access to phase1 heat capacity
+        const dimensionedScalar& Cp() const
+        {
+            return Cp_;
+        }
+
+         //- Return const-access to phase1 thermal conductivity
+        const dimensionedScalar& kf() const
+        {
+            return kf_;
+        }
+
+         //- Return const-access to phase1 diffusion coefficient
+        const dimensionedScalar& D() const
+        {
+            return D_;
+        }
+
+        //- Return const-access to phase1 solubility
+        const dimensionedScalar& Cs() const
+        {
+            return Cs_;
+        }
+
+        //- Correct the phase properties
+        void correct();
+
+        //-Inherit read from volScalarField
+        using volScalarField::read;
+
+        //- Read base transportProperties dictionary
+        bool read(const dictionary& phaseDict);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphaseScalar/pEqn.H

@@ -0,0 +1,73 @@
+{
+    volScalarField rAU("rAU", 1.0/UEqn.A());
+    surfaceScalarField rAUepsf("rAUepsf", fvc::interpolate(rAU*voidfraction));
+    surfaceScalarField rAUepsSqf("rAUepsSqf", fvc::interpolate(rAU*voidfraction*voidfraction));
+    volVectorField Ueps("Ueps", U * voidfraction);
+
+    volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p_rgh));
+
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        fvc::flux(HbyA*voidfraction)
+      + fvc::interpolate(voidfraction*rho*rAU)*fvc::ddtCorr(U, phi)
+    );
+
+    adjustPhi(phiHbyA, U, p_rgh);
+
+    if (modelType == "A")
+        rAUepsf = rAUepsSqf;
+
+    surfaceScalarField phig (-ghf*fvc::snGrad(rho)*rAUepsf*mesh.magSf());
+
+    surfaceScalarField phiSt (mixture.surfaceTensionForce()*rAUepsSqf*mesh.magSf());
+
+    surfaceScalarField phiS (fvc::flux(voidfraction*Us*Ksl*rAU));
+
+    phiHbyA += phig + phiSt + phiS;
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p_rgh, Ueps, phiHbyA, rAUepsf);
+
+    while (pimple.correctNonOrthogonal())
+    {
+        fvScalarMatrix p_rghEqn
+        (
+            fvm::laplacian(rAUepsf, p_rgh) == particleCloud.ddtVoidfraction() + fvc::div(phiHbyA)
+        );
+
+        p_rghEqn.setReference(pRefCell, getRefCellValue(p_rgh, pRefCell));
+
+        p_rghEqn.solve(mesh.solver(p_rgh.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi = phiHbyA - p_rghEqn.flux();
+
+            p_rgh.relax();
+
+            if (modelType == "A")
+                U = HbyA + voidfraction*rAU*fvc::reconstruct((phig-p_rghEqn.flux()+phiSt)/rAUepsf) + rAU*Us*Ksl;
+            else
+                U = HbyA + rAU*fvc::reconstruct((phig-p_rghEqn.flux()+phiSt)/rAUepsf) + rAU*Us*Ksl;
+
+            U.correctBoundaryConditions();
+            fvOptions.correct(U);
+        }
+    }
+
+    #include "continuityErrs.H"
+
+    p == p_rgh + rho*gh;
+
+    if (p_rgh.needReference())
+    {
+        p += dimensionedScalar
+        (
+            "p",
+            p.dimensions(),
+            pRefValue - getRefCellValue(p, pRefCell)
+        );
+        p_rgh = p - rho*gh;
+    }
+}

applications/solvers/cfdemSolverPimple/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverPimple.C
+
+EXE=$(CFDEM_APP_DIR)/cfdemSolverPimple

applications/solvers/cfdemSolverPimple/Make/options

@@ -0,0 +1,24 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -Wno-deprecated-copy
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lfvOptions \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverPimple/UEqn.H

@@ -0,0 +1,43 @@
+particleCloud.otherForces(fOther);
+
+tmp<fvVectorMatrix> tUEqn
+(
+    fvm::ddt(voidfraction,U) - fvm::Sp(fvc::ddt(voidfraction),U)
+  + fvm::div(phi,U) - fvm::Sp(fvc::div(phi),U)
+    // in case of "periodic box" simulations the viscous term can be commented
+    // during testing the effect of this term on the results was negligible (about 1-2%)
+  + particleCloud.divVoidfractionTau(U, voidfraction)
+  - fOther/rho
+  ==
+    fvOptions(U)
+  - fvm::Sp(Ksl/rho,U)
+);
+
+fvVectorMatrix& UEqn = tUEqn.ref();
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+volScalarField rAU = 1.0/UEqn.A();
+
+surfaceScalarField rAUf("(1|A(U))", fvc::interpolate(rAU));
+
+surfaceScalarField voidfractionf = fvc::interpolate(voidfraction);
+
+surfaceScalarField phicForces
+(
+    fvc::interpolate(rAU*(Ksl*Us)/rho) & mesh.Sf()
+);
+
+if (pimple.momentumPredictor() && (modelType=="B" || modelType=="Bfull"))
+{
+    solve(UEqn == fvc::reconstruct(phicForces/rAUf - fvc::snGrad(p)*mesh.magSf()));
+    fvOptions.correct(U);
+}
+else if (pimple.momentumPredictor())
+{
+    solve(UEqn == fvc::reconstruct(phicForces/rAUf - fvc::snGrad(p)*voidfractionf*mesh.magSf()));
+    fvOptions.correct(U);
+}
+

applications/solvers/cfdemSolverPimple/cfdemSolverPimple.C

@@ -0,0 +1,147 @@
+/*---------------------------------------------------------------------------*\
+    Open Source CFD-DEM coupling
+
+    Copyright (C) 2023  Behrad Esgandari, JKU Linz, Austria
+-------------------------------------------------------------------------------
+License
+
+    This program is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this program.  If not, see <https://www.gnu.org/licenses/>.
+
+Application
+    cfdemSolverPimple
+
+Description
+    Transient solver for incompressible flow.
+    Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
+    The code is an evolution of the solver pimpleFoam in OpenFOAM(R) 6.0,
+    where additional functionality for CFD-DEM coupling is added.
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "singlePhaseTransportModel.H"
+#include "turbulentTransportModel.H"
+#include "pimpleControl.H"
+#include "fvOptions.H"
+
+#include "cfdemCloud.H"
+#include "implicitCouple.H"
+#include "clockModel.H"
+#include "smoothingModel.H"
+#include "forceModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "createFields.H"
+    #include "createFvOptions.H"
+    #include "initContinuityErrs.H"
+
+    // create cfdemCloud
+    #include "readGravitationalAcceleration.H"
+    cfdemCloud particleCloud(mesh);
+    #include "checkModelType.H"
+
+    // switch for periodic box simulations
+    Switch periodicBoxSwitch
+    (
+        pimple.dict().lookupOrDefault<Switch>("periodicBoxSwitch", false)
+    );
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+    Info<< "\nStarting time loop\n" << endl;
+    while (runTime.loop())
+    {
+        particleCloud.clockM().start(1,"Global");
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        #include "CourantNo.H"
+
+        // do particle stuff
+        particleCloud.clockM().start(2,"Coupling");
+        bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
+
+        if(hasEvolved)
+        {
+            particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
+        }
+
+        Info << "update Ksl.internalField()" << endl;
+        Ksl = particleCloud.momCoupleM(0).impMomSource();
+        Ksl.correctBoundaryConditions();
+
+        //Force Checks
+        vector fTotal(0,0,0);
+        vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
+        reduce(fImpTotal, sumOp<vector>());
+        Info << "TotalForceExp: " << fTotal << endl;
+        Info << "TotalForceImp: " << fImpTotal << endl;
+
+        #include "solverDebugInfo.H"
+        particleCloud.clockM().stop("Coupling");
+
+        particleCloud.clockM().start(26,"Flow");
+
+        if(particleCloud.solveFlow())
+        {
+            // Pressure-velocity PIMPLE corrector
+            while (pimple.loop())
+            {
+                // Momentum predictor
+                #include "UEqn.H"
+
+                // --- Inner PIMPLE loop
+
+                while (pimple.correct())
+                {
+                    #include "pEqn.H"
+                }
+            }
+
+            laminarTransport.correct();
+            turbulence->correct();
+        }
+        else
+        {
+            Info << "skipping flow solution." << endl;
+        }
+
+        if (periodicBoxSwitch)
+        {
+           #include "periodicBoxProperties.H"
+        }
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverPimple/createFields.H

@@ -0,0 +1,169 @@
+//===============================
+// Fluid Fields
+//===============================
+
+   Info<< "Reading field p\n" << endl;
+    volScalarField p
+    (
+        IOobject
+        (
+            "p",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "Reading physical velocity field U" << endl;
+    Info<< "Note: only if voidfraction at boundary is 1, U is superficial velocity!!!\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//===============================
+// particle interaction modelling
+//===============================
+
+    Info<< "\nReading momentum exchange field Ksl\n" << endl;
+    volScalarField Ksl
+    (
+        IOobject
+        (
+            "Ksl",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "\nCreating body force field\n" << endl;
+    volVectorField fOther
+    (
+        IOobject
+        (
+            "fOther",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedVector("zero", dimensionSet(1,-2,-2,0,0,0,0), vector::zero)
+    );
+
+    Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "\nCreating dummy density field rho\n" << endl;
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "Reading particle velocity field Us\n" << endl;
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//===============================
+
+#ifndef createPhi_H
+#define createPhi_H
+    Info<< "Reading/calculating face flux field phi\n" << endl;
+    surfaceScalarField phi
+    (
+        IOobject
+        (
+            "phi",
+            runTime.timeName(),
+             mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        linearInterpolate(U*voidfraction) & mesh.Sf()
+    );
+#endif
+
+    Info<< "Generating interstitial(!) flux field phiByVoidfraction\n" << endl;
+    surfaceScalarField phiByVoidfraction
+    (
+        IOobject
+        (
+            "phiByVoidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        linearInterpolate(U) & mesh.Sf()
+    );
+
+//Periodic box
+    volScalarField unity
+    (
+        IOobject
+        (
+            "unity",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("unity", dimless, 1.0)
+    );
+
+    label pRefCell = 0;
+    scalar pRefValue = 0.0;
+    setRefCell(p, mesh.solutionDict().subDict("PIMPLE"), pRefCell, pRefValue);
+
+
+    singlePhaseTransportModel laminarTransport(U, phi);
+
+    autoPtr<incompressible::turbulenceModel> turbulence
+    (
+        incompressible::turbulenceModel::New(U, phi, laminarTransport)
+    );
+
+#include "createMRF.H"

applications/solvers/cfdemSolverPimple/pEqn.H

@@ -0,0 +1,59 @@
+volScalarField rAUvoidfraction("(voidfraction2|A(U))",rAU*voidfraction);
+
+surfaceScalarField rAUfvoidfraction("(voidfraction2|A(U)F)", fvc::interpolate(rAUvoidfraction));
+
+volVectorField HbyA("HbyA", U);
+
+HbyA = rAU*UEqn.H();
+
+phi = voidfractionf*phiByVoidfraction;
+
+surfaceScalarField phiHbyA
+(
+    "phiHbyA",
+    (
+        (fvc::interpolate(HbyA) & mesh.Sf() )
+        + phicForces                               //explicit contribution
+        + rAUfvoidfraction*fvc::ddtCorr(U, phiByVoidfraction) //correction
+    )
+);
+
+if (modelType=="A")
+    rAUvoidfraction = volScalarField("(voidfraction2|A(U))",rAU*voidfraction*voidfraction);
+
+// Update the fixedFluxPressure BCs to ensure flux consistency
+if (modelType=="A")
+{
+    volScalarField rUsed = rAU*voidfraction;
+    constrainPressure(p, U, phiHbyA, rUsed,MRF);
+}
+else constrainPressure(p, U, phiHbyA, rAU,MRF);
+
+while (pimple.correctNonOrthogonal())
+{
+    // Pressure corrector
+    fvScalarMatrix pEqn
+    (
+        fvm::laplacian(rAUvoidfraction, p) == fvc::div(voidfractionf*phiHbyA) + particleCloud.ddtVoidfraction()
+    );
+    pEqn.setReference(pRefCell, pRefValue);
+
+    pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+    if (pimple.finalNonOrthogonalIter())
+    {
+        phiByVoidfraction = phiHbyA - pEqn.flux()/voidfractionf;
+        phi = voidfractionf*phiByVoidfraction;
+
+        #include "continuityErrorPhiPU.H"
+
+        // Explicitly relax pressure for momentum corrector
+        p.relax();
+
+        U = fvc::reconstruct(phiHbyA)
+          - rAU*fvc::reconstruct(pEqn.flux()/voidfractionf/rAUf);
+
+        U.correctBoundaryConditions();
+        fvOptions.correct(U);
+    }
+}

applications/solvers/cfdemSolverPimple/periodicBoxProperties.H

@@ -0,0 +1,65 @@
+dimensionedVector gN = mesh.lookupObject<uniformDimensionedVectorField> ("g");
+dimensionedScalar volume = fvc::domainIntegrate(unity);
+
+Info<< "particle_ENSTROPHY: "
+    << (
+            fvc::domainIntegrate( 0.5*magSqr(fvc::curl(Us)))
+            /volume
+       ).value()
+    << endl;
+
+Info<< "air_ENSTROPHY: "
+    << (
+           fvc::domainIntegrate( 0.5*magSqr(fvc::curl(U)))
+           /volume
+       ).value()
+    << endl;
+
+Info<< "slip_velocity: "
+    << - ((
+        fvc::domainIntegrate(voidfraction*(U&gN)).value()
+           /fvc::domainIntegrate(voidfraction*mag(gN)).value()
+         )
+       - (
+        fvc::domainIntegrate((1.0-voidfraction)*(Us&gN)).value()
+           /fvc::domainIntegrate((1.0-voidfraction)*mag(gN)).value()
+         ))
+   << endl;
+
+dimensionedVector alpha1Us = fvc::domainIntegrate((1.0-voidfraction)*(Us))/fvc::domainIntegrate((1.0-voidfraction));
+dimensionedVector alpha2U = fvc::domainIntegrate(voidfraction*(U))/fvc::domainIntegrate(voidfraction);
+dimensionedScalar alpha1M  = fvc::domainIntegrate((1.0-voidfraction))/volume;
+dimensionedScalar alpha2M  = scalar(1.0) - alpha1M;
+
+Info<< "TKE gas: "
+    << 0.5
+      *(
+          fvc::domainIntegrate(voidfraction*(U&U)).value()
+         /fvc::domainIntegrate(voidfraction).value()
+       )
+     - 0.5
+      *(
+          alpha2U.value()
+         &alpha2U.value()
+       )
+    << endl;
+
+Info<< "TKE solid: "
+    << 0.5
+      *(
+          fvc::domainIntegrate((1.0-voidfraction)*(Us&Us)).value()
+         /fvc::domainIntegrate(1.0-voidfraction).value()
+       )
+     - 0.5
+      *(
+          alpha1Us.value()
+         &alpha1Us.value()
+       )
+    << endl;
+
+Info<< "PhiP2: "
+    << fvc::domainIntegrate((1.0-voidfraction)*(1.0-voidfraction)).value()
+       /fvc::domainIntegrate(unity).value()
+       - alpha1M.value()*alpha1M.value()
+    << endl;
+

applications/solvers/cfdemSolverPiso/Make/options

@@ -1,15 +1,24 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
 EXE_INC = \
-    -I$(LIB_SRC)/turbulenceModels/incompressible/turbulenceModel \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
     -I$(LIB_SRC)/transportModels \
     -I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
-    -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\
-    -lincompressibleRASModels \
-    -lincompressibleLESModels \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
     -lincompressibleTransportModels \
     -lfiniteVolume \
-    -l$(CFDEM_LIB_NAME)
+    -lmeshTools \
+    -lfvOptions \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverPiso/UEqn.H

@@ -0,0 +1,27 @@
+particleCloud.otherForces(fOther);
+
+fvVectorMatrix UEqn
+(
+    fvm::ddt(voidfraction,U) - fvm::Sp(fvc::ddt(voidfraction),U)
+  + fvm::div(phi,U) - fvm::Sp(fvc::div(phi),U)
+  + particleCloud.divVoidfractionTau(U, voidfraction)
+  - fOther/rho
+  ==
+    fvOptions(U)
+  - fvm::Sp(Ksl/rho,U)
+);
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (piso.momentumPredictor() && (modelType=="B" || modelType=="Bfull"))
+{
+    solve(UEqn == - fvc::grad(p) + Ksl/rho*Us);
+    fvOptions.correct(U);
+}
+else if (piso.momentumPredictor())
+{
+    solve(UEqn == - voidfraction*fvc::grad(p) + Ksl/rho*Us);
+    fvOptions.correct(U);
+}

applications/solvers/cfdemSolverPiso/cfdemSolverPiso.C

@@ -36,7 +36,9 @@ Description
 
 #include "fvCFD.H"
 #include "singlePhaseTransportModel.H"
-#include "turbulenceModel.H"
+#include "turbulentTransportModel.H"
+#include "pisoControl.H"
+#include "fvOptions.H"
 
 #include "cfdemCloud.H"
 #include "implicitCouple.H"
@@ -51,7 +53,9 @@ int main(int argc, char *argv[])
     #include "setRootCase.H"
     #include "createTime.H"
     #include "createMesh.H"
+    #include "createControl.H"
     #include "createFields.H"
+    #include "createFvOptions.H"
     #include "initContinuityErrs.H"
 
     // create cfdemCloud
@@ -67,7 +71,6 @@ int main(int argc, char *argv[])
 
         Info<< "Time = " << runTime.timeName() << nl << endl;
 
-        #include "readPISOControls.H"
         #include "CourantNo.H"
 
         // do particle stuff
@@ -78,17 +81,17 @@ int main(int argc, char *argv[])
         {
             particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
         }
-    
+
         Info << "update Ksl.internalField()" << endl;
         Ksl = particleCloud.momCoupleM(0).impMomSource();
         Ksl.correctBoundaryConditions();
 
-       //Force Checks
-       vector fTotal(0,0,0);
-       vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField()));
-       reduce(fImpTotal, sumOp<vector>());
-       Info << "TotalForceExp: " << fTotal << endl;
-       Info << "TotalForceImp: " << fImpTotal << endl;
+        //Force Checks
+        vector fTotal(0,0,0);
+        vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
+        reduce(fImpTotal, sumOp<vector>());
+        Info << "TotalForceExp: " << fTotal << endl;
+        Info << "TotalForceImp: " << fImpTotal << endl;
 
         #include "solverDebugInfo.H"
         particleCloud.clockM().stop("Coupling");
@@ -100,95 +103,19 @@ int main(int argc, char *argv[])
             // Pressure-velocity PISO corrector
             {
                 // Momentum predictor
-                fvVectorMatrix UEqn
-                (
-                    fvm::ddt(voidfraction,U) - fvm::Sp(fvc::ddt(voidfraction),U)
-                  + fvm::div(phi,U) - fvm::Sp(fvc::div(phi),U)
-//                + turbulence->divDevReff(U)
-                  + particleCloud.divVoidfractionTau(U, voidfraction)
-                  ==
-                  - fvm::Sp(Ksl/rho,U)
-                );
-
-                UEqn.relax();
-                if (momentumPredictor && (modelType=="B" || modelType=="Bfull"))
-                    solve(UEqn == - fvc::grad(p) + Ksl/rho*Us);
-                else if (momentumPredictor)
-                    solve(UEqn == - voidfraction*fvc::grad(p) + Ksl/rho*Us);
+                 #include "UEqn.H"
 
                 // --- PISO loop
 
-                //for (int corr=0; corr<nCorr; corr++)
-                int nCorrSoph = nCorr + 5 * pow((1-particleCloud.dataExchangeM().timeStepFraction()),1);
-
-                for (int corr=0; corr<nCorrSoph; corr++)
+                while (piso.correct())
                 {
-                    volScalarField rUA = 1.0/UEqn.A();
-
-                    surfaceScalarField rUAf("(1|A(U))", fvc::interpolate(rUA));
-                    volScalarField rUAvoidfraction("(voidfraction2|A(U))",rUA*voidfraction);
-                    surfaceScalarField rUAfvoidfraction("(voidfraction2|A(U)F)", fvc::interpolate(rUAvoidfraction));
-
-                    U = rUA*UEqn.H();
-
-                    #ifdef version23
-                    phi = ( fvc::interpolate(U*voidfraction) & mesh.Sf() )
-                        + rUAfvoidfraction*fvc::ddtCorr(U, phi);
-                    #else
-                    phi = ( fvc::interpolate(U*voidfraction) & mesh.Sf() )
-                        + fvc::ddtPhiCorr(rUAvoidfraction, U, phi);
-                    #endif
-                    surfaceScalarField phiS(fvc::interpolate(Us*voidfraction) & mesh.Sf());
-                    surfaceScalarField phiGes = phi + rUAf*(fvc::interpolate(Ksl/rho) * phiS);
-
-                    if (modelType=="A")
-                        rUAvoidfraction = volScalarField("(voidfraction2|A(U))",rUA*voidfraction*voidfraction);
-
-                    // Non-orthogonal pressure corrector loop
-                    for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
-                    {
-                        // Pressure corrector
-                        fvScalarMatrix pEqn
-                        (
-                            fvm::laplacian(rUAvoidfraction, p) == fvc::div(phiGes) + particleCloud.ddtVoidfraction()
-                        );
-                        pEqn.setReference(pRefCell, pRefValue);
-
-                        if
-                        (
-                            corr == nCorr-1
-                         && nonOrth == nNonOrthCorr
-                        )
-                        {
-                            pEqn.solve(mesh.solver("pFinal"));
-                        }
-                        else
-                        {
-                            pEqn.solve();
-                        }
-
-                        if (nonOrth == nNonOrthCorr)
-                        {
-                            phiGes -= pEqn.flux();
-                            phi = phiGes;
-                        }
-
-                    } // end non-orthogonal corrector loop
-
-                    #include "continuityErrorPhiPU.H"
-
-                    if (modelType=="B" || modelType=="Bfull")
-                        U -= rUA*fvc::grad(p) - Ksl/rho*Us*rUA;
-                    else
-                        U -= voidfraction*rUA*fvc::grad(p) - Ksl/rho*Us*rUA;
-
-                    U.correctBoundaryConditions();
-
-                } // end piso loop
+                    #include "pEqn.H"
+                }
             }
 
+            laminarTransport.correct();
             turbulence->correct();
-        }// end solveFlow
+        }
         else
         {
             Info << "skipping flow solution." << endl;

applications/solvers/cfdemSolverPiso/createFields.H

@@ -46,6 +46,21 @@
         //dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 1.0)
     );
 
+    Info<< "\nCreating body force field\n" << endl;
+    volVectorField fOther
+    (
+        IOobject
+        (
+            "fOther",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedVector("zero", dimensionSet(1,-2,-2,0,0,0,0), vector::zero)
+    );
+
     Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
     volScalarField voidfraction
     (
@@ -96,17 +111,17 @@
 #define createPhi_H
 Info<< "Reading/calculating face flux field phi\n" << endl;
 surfaceScalarField phi
- (
-     IOobject
-     (
+(
+    IOobject
+    (
         "phi",
         runTime.timeName(),
          mesh,
         IOobject::READ_IF_PRESENT,
         IOobject::AUTO_WRITE
-     ),
-     linearInterpolate(U*voidfraction) & mesh.Sf()
- );
+    ),
+    linearInterpolate(U*voidfraction) & mesh.Sf()
+);
 #endif
 
 
@@ -122,3 +137,5 @@ surfaceScalarField phi
     (
         incompressible::turbulenceModel::New(U, phi, laminarTransport)
     );
+
+#include "createMRF.H"

applications/solvers/cfdemSolverPiso/pEqn.H

@@ -0,0 +1,58 @@
+volScalarField rAU = 1.0/UEqn.A();
+
+surfaceScalarField rAUf("(1|A(U))", fvc::interpolate(rAU));
+
+volScalarField rAUvoidfraction("(voidfraction2|A(U))",rAU*voidfraction);
+
+if (modelType=="A")
+    rAUvoidfraction *= voidfraction;
+
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+surfaceScalarField phiHbyA("phiHbyA", fvc::interpolate(voidfraction)*fvc::flux(HbyA) );
+
+volVectorField Uvoidfraction("(Uvoidfraction)", U * voidfraction);
+
+surfaceScalarField phiS(fvc::interpolate(Us*voidfraction) & mesh.Sf());
+
+phi = phiHbyA + rAUf*(fvc::interpolate(Ksl/rho) * phiS);
+
+// rotating frames of references not tested yet
+MRF.makeRelative(phi);
+
+// adjustment of phi (only in cases w.o. p boundary conditions) not tested yet
+adjustPhi(phi, U, p);
+
+// Update the pressure BCs to ensure flux consistency
+constrainPressure(p, Uvoidfraction, phiHbyA, rAUvoidfraction, MRF);
+
+
+// Non-orthogonal pressure corrector loop
+while (piso.correctNonOrthogonal())
+{
+    // Pressure corrector
+
+    fvScalarMatrix pEqn
+    (
+        fvm::laplacian(rAUvoidfraction, p) == fvc::div(phi) + particleCloud.ddtVoidfraction()
+    );
+
+    pEqn.setReference(pRefCell, pRefValue);
+
+    pEqn.solve(mesh.solver(p.select(piso.finalInnerIter())));
+
+    if (piso.finalNonOrthogonalIter())
+    {
+        phi -= pEqn.flux();
+    }
+}
+
+#include "continuityErrorPhiPU.H"
+
+if (modelType=="B" || modelType=="Bfull")
+    U = HbyA - rAU*fvc::grad(p) + Ksl/rho*Us*rAU;
+else
+    U = HbyA - voidfraction*rAU*fvc::grad(p) + Ksl/rho*Us*rAU;
+
+U.correctBoundaryConditions();
+fvOptions.correct(U);

applications/solvers/cfdemSolverPisoFreeStreaming/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverPisoFreeStreaming.C
+
+EXE=$(CFDEM_APP_DIR)/cfdemSolverPisoFreeStreaming

applications/solvers/cfdemSolverPisoFreeStreaming/Make/options

@@ -0,0 +1,28 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
+    -I$(FOAM_SOLVERS)/incompressible/pisoFoam \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/derived/cfdemCloudRec \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -Wno-deprecated-copy
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lfvOptions \
+    -lsampling \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverPisoFreeStreaming/cfdemSolverPisoFreeStreaming.C

@@ -0,0 +1,126 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright (C) 1991-2009 OpenCFD Ltd.
+                                Copyright (C) 2009-2012 JKU, Linz
+                                Copyright (C) 2012-     DCS Computing GmbH,Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    CFDEMcoupling is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with CFDEMcoupling.  If not, see <http://www.gnu.org/licenses/>.
+
+Application
+    cfdemSolverPisoFreeStreaming
+
+Description
+    Transient solver for incompressible flow.
+    Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
+    The code is an evolution of the solver pisoFoam in OpenFOAM(R) 1.6,
+    where additional functionality for CFD-DEM coupling is added.
+    the particles follow the fluid velocity
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "singlePhaseTransportModel.H"
+#include "turbulentTransportModel.H"
+#include "pisoControl.H"
+#include "fvOptions.H"
+
+#include "cfdemCloudRec.H"
+
+#include "cfdemCloud.H"
+#include "implicitCouple.H"
+#include "clockModel.H"
+#include "smoothingModel.H"
+#include "forceModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "postProcess.H"
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "createFields.H"
+    #include "createFvOptions.H"
+    #include "initContinuityErrs.H"
+
+    cfdemCloudRec<cfdemCloud> particleCloud(mesh);
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+    Info<< "\nStarting time loop\n" << endl;
+    while (runTime.loop())
+    {
+
+        particleCloud.clockM().start(1,"Global");
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        #include "CourantNo.H"
+
+        // do particle stuff
+        particleCloud.clockM().start(2,"Coupling");
+
+        particleCloud.evolve(voidfraction,Us,U);
+
+
+        particleCloud.clockM().stop("Coupling");
+
+        particleCloud.clockM().start(26,"Flow");
+
+        if(particleCloud.solveFlow())
+        {
+            // Pressure-velocity PISO corrector
+            {
+                // Momentum predictor
+                 #include "UEqn.H"
+
+                // --- PISO loop
+
+                while (piso.correct())
+                {
+                    #include "pEqn.H"
+                }
+            }
+
+            laminarTransport.correct();
+            turbulence->correct();
+        }
+        else
+        {
+            Info << "skipping flow solution." << endl;
+        }
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverPisoFreeStreaming/createFields.H

@@ -0,0 +1,110 @@
+    Info<< "Reading field p\n" << endl;
+    volScalarField p
+    (
+        IOobject
+        (
+            "p",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "Reading physical velocity field U" << endl;
+    Info<< "Note: only if voidfraction at boundary is 1, U is superficial velocity!!!\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//===============================
+// particle interaction modelling
+//===============================
+
+    Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "\nCreating density field rho\n" << endl;
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "Reading particle velocity field Us\n" << endl;
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//===============================
+
+//#   include "createPhi.H"
+#ifndef createPhi_H
+#define createPhi_H
+Info<< "Reading/calculating face flux field phi\n" << endl;
+surfaceScalarField phi
+(
+    IOobject
+    (
+        "phi",
+        runTime.timeName(),
+         mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    linearInterpolate(U) & mesh.Sf()
+);
+#endif
+
+
+
+    label pRefCell = 0;
+    scalar pRefValue = 0.0;
+    setRefCell(p, mesh.solutionDict().subDict("PISO"), pRefCell, pRefValue);
+
+
+    singlePhaseTransportModel laminarTransport(U, phi);
+
+    autoPtr<incompressible::turbulenceModel> turbulence
+    (
+        incompressible::turbulenceModel::New(U, phi, laminarTransport)
+    );
+
+#include "createMRF.H"

applications/solvers/cfdemSolverPisoMS/Make/options

@@ -1,16 +1,24 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
 EXE_INC = \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
-    -I ../cfdemSolverPiso \
-    -I$(LIB_SRC)/turbulenceModels/incompressible/turbulenceModel \
+    -I../cfdemSolverPiso \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
     -I$(LIB_SRC)/transportModels \
     -I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
-    -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\
-    -lincompressibleRASModels \
-    -lincompressibleLESModels \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
     -lincompressibleTransportModels \
     -lfiniteVolume \
-    -l$(CFDEM_LIB_NAME)
+    -lmeshTools \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverPisoMS/cfdemSolverPisoMS.C

@@ -25,23 +25,26 @@ License
     along with CFDEMcoupling.  If not, see <http://www.gnu.org/licenses/>.
 
 Application
-    cfdemSolverPisoMS
+    cfdemSolverPiso
 
 Description
     Transient solver for incompressible flow.
     Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
-    The code is an evolution of the solver pisoFoam in OpenFOAM(R) 1.6, 
+    The code is an evolution of the solver pisoFoam in OpenFOAM(R) 1.6,
     where additional functionality for CFD-DEM coupling is added.
 \*---------------------------------------------------------------------------*/
 
 #include "fvCFD.H"
 #include "singlePhaseTransportModel.H"
-#include "turbulenceModel.H"
+#include "turbulentTransportModel.H"
+#include "pisoControl.H"
+#include "fvOptions.H"
 
 #include "cfdemCloudMS.H"
 #include "implicitCouple.H"
 #include "clockModel.H"
 #include "smoothingModel.H"
+#include "forceModel.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -50,7 +53,9 @@ int main(int argc, char *argv[])
     #include "setRootCase.H"
     #include "createTime.H"
     #include "createMesh.H"
+    #include "createControl.H"
     #include "createFields.H"
+    #include "createFvOptions.H"
     #include "initContinuityErrs.H"
 
     // create cfdemCloud
@@ -59,118 +64,62 @@ int main(int argc, char *argv[])
     #include "checkModelType.H"
 
     // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
+    Info<< "\nStarting time loop\n" << endl;
     while (runTime.loop())
     {
-        Info<< "\nStarting time loop\n" << endl;
-            particleCloud.clockM().start(1,"Global");
+        particleCloud.clockM().start(1,"Global");
 
         Info<< "Time = " << runTime.timeName() << nl << endl;
 
-        #include "readPISOControls.H"
         #include "CourantNo.H"
 
         // do particle stuff
         particleCloud.clockM().start(2,"Coupling");
-        particleCloud.evolve(voidfraction,Us,U);
-      
+        bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
+
+        if(hasEvolved)
+        {
+            particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
+        }
+    
         Info << "update Ksl.internalField()" << endl;
         Ksl = particleCloud.momCoupleM(0).impMomSource();
-        particleCloud.smoothingM().smoothen(Ksl);
         Ksl.correctBoundaryConditions();
 
+       //Force Checks
+       vector fTotal(0,0,0);
+       vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
+       reduce(fImpTotal, sumOp<vector>());
+       Info << "TotalForceExp: " << fTotal << endl;
+       Info << "TotalForceImp: " << fImpTotal << endl;
+
         #include "solverDebugInfo.H"
         particleCloud.clockM().stop("Coupling");
 
         particleCloud.clockM().start(26,"Flow");
-        // Pressure-velocity PISO corrector
+
+        if(particleCloud.solveFlow())
         {
-            // Momentum predictor
-            fvVectorMatrix UEqn
-            (
-                fvm::ddt(voidfraction,U) //particleCloud.ddtVoidfractionU(U,voidfraction) //
-              + fvm::div(phi, U)
-//              + turbulence->divDevReff(U)
-              + particleCloud.divVoidfractionTau(U, voidfraction)
-             ==
-              - fvm::Sp(Ksl/rho,U)
-            );
-
-            if (modelType=="B")
-                UEqn == - fvc::grad(p) + Ksl/rho*Us;
-            else
-                UEqn == - voidfraction*fvc::grad(p) + Ksl/rho*Us;
-
-            UEqn.relax();
-
-            if (momentumPredictor)
-                solve(UEqn);
-
-            // --- PISO loop
-
-            //for (int corr=0; corr<nCorr; corr++)
-            int nCorrSoph = nCorr + 5 * pow((1-particleCloud.dataExchangeM().timeStepFraction()),1);
-
-            for (int corr=0; corr<nCorrSoph; corr++)
+            // Pressure-velocity PISO corrector
             {
-                volScalarField rUA = 1.0/UEqn.A();
+                // Momentum predictor
+                 #include "UEqn.H"
 
-                surfaceScalarField rUAf("(1|A(U))", fvc::interpolate(rUA));
-                volScalarField rUAvoidfraction("(voidfraction2|A(U))",rUA*voidfraction);
+                // --- PISO loop
 
-                U = rUA*UEqn.H();
-
-                phi = (fvc::interpolate(U*voidfraction) & mesh.Sf() );
-                     //+ fvc::ddtPhiCorr(rUAvoidfraction, U, phi);
-                surfaceScalarField phiS(fvc::interpolate(Us*voidfraction) & mesh.Sf());
-                surfaceScalarField phiGes = phi + rUAf*(fvc::interpolate(Ksl/rho) * phiS);
-
-                if (modelType=="A")
-                    rUAvoidfraction = volScalarField("(voidfraction2|A(U))",rUA*voidfraction*voidfraction);
-
-                // Non-orthogonal pressure corrector loop
-                for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
+                while (piso.correct())
                 {
-                    // Pressure corrector
-                    fvScalarMatrix pEqn
-                    (
-                        fvm::laplacian(rUAvoidfraction, p) == fvc::div(phiGes) + particleCloud.ddtVoidfraction()
-                    );
-                    pEqn.setReference(pRefCell, pRefValue);
+                    #include "pEqn.H"
+                }
+            }
 
-                    if
-                    (
-                        corr == nCorr-1
-                     && nonOrth == nNonOrthCorr
-                    )
-                    {
-                        pEqn.solve(mesh.solver("pFinal"));
-                    }
-                    else
-                    {
-                        pEqn.solve();
-                    }
-
-                    if (nonOrth == nNonOrthCorr)
-                    {
-                        phiGes -= pEqn.flux();
-                    }
-
-                } // end non-orthogonal corrector loop
-
-                #include "continuityErrorPhiPU.H"
-
-                if (modelType=="B")
-                    U -= rUA*fvc::grad(p) - Ksl/rho*Us*rUA;
-                else
-                    U -= voidfraction*rUA*fvc::grad(p) - Ksl/rho*Us*rUA;
-
-                U.correctBoundaryConditions();
-
-            } // end piso loop
+            laminarTransport.correct();
+            turbulence->correct();
+        }
+        else
+        {
+            Info << "skipping flow solution." << endl;
         }
-
-        turbulence->correct();
 
         runTime.write();
 
@@ -183,7 +132,7 @@ int main(int argc, char *argv[])
     }
 
     Info<< "End\n" << endl;
-    
+
     return 0;
 }
 

applications/solvers/cfdemSolverPisoScalar/Make/options

@@ -1,15 +1,24 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
 EXE_INC = \
-    -I$(LIB_SRC)/turbulenceModels/incompressible/turbulenceModel \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
     -I$(LIB_SRC)/transportModels \
     -I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
-    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I../cfdemSolverPiso \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\
-    -lincompressibleRASModels \
-    -lincompressibleLESModels \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
     -lincompressibleTransportModels \
     -lfiniteVolume \
-    -l$(CFDEM_LIB_NAME)
+    -lmeshTools \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverPisoScalar/TEqn.H

@@ -0,0 +1,15 @@
+ // get scalar source from DEM
+        particleCloud.forceM(1).manipulateScalarField(Tsource);
+        Tsource.correctBoundaryConditions();
+
+        // solve scalar transport equation
+        fvScalarMatrix TEqn
+        (
+           fvm::ddt(voidfraction,T) - fvm::Sp(fvc::ddt(voidfraction),T)
+         + fvm::div(phi, T) - fvm::Sp(fvc::div(phi),T)
+         - fvm::laplacian(DT*voidfraction, T)
+         ==
+           Tsource
+        );
+        TEqn.relax();
+        TEqn.solve();

applications/solvers/cfdemSolverPisoScalar/cfdemSolverPisoScalar.C

@@ -36,10 +36,13 @@ Description
 
 #include "fvCFD.H"
 #include "singlePhaseTransportModel.H"
-#include "turbulenceModel.H"
+#include "turbulentTransportModel.H"
+#include "pisoControl.H"
+#include "fvOptions.H"
 
 #include "cfdemCloud.H"
 #include "implicitCouple.H"
+#include "clockModel.H"
 #include "smoothingModel.H"
 #include "forceModel.H"
 
@@ -50,7 +53,9 @@ int main(int argc, char *argv[])
     #include "setRootCase.H"
     #include "createTime.H"
     #include "createMesh.H"
+    #include "createControl.H"
     #include "createFields.H"
+    #include "createFvOptions.H"
     #include "initContinuityErrs.H"
 
     // create cfdemCloud
@@ -62,136 +67,57 @@ int main(int argc, char *argv[])
     Info<< "\nStarting time loop\n" << endl;
     while (runTime.loop())
     {
+        particleCloud.clockM().start(1,"Global");
+
         Info<< "Time = " << runTime.timeName() << nl << endl;
 
-        #include "readPISOControls.H"
         #include "CourantNo.H"
 
         // do particle stuff
+        particleCloud.clockM().start(2,"Coupling");
         bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
 
         if(hasEvolved)
         {
             particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
         }
-    
+
         Info << "update Ksl.internalField()" << endl;
         Ksl = particleCloud.momCoupleM(0).impMomSource();
         Ksl.correctBoundaryConditions();
 
+        //Force Checks
+        vector fTotal(0,0,0);
+        vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
+        reduce(fImpTotal, sumOp<vector>());
+        Info << "TotalForceExp: " << fTotal << endl;
+        Info << "TotalForceImp: " << fImpTotal << endl;
 
         #include "solverDebugInfo.H"
+        particleCloud.clockM().stop("Coupling");
 
-        // get scalar source from DEM        
-        particleCloud.forceM(1).manipulateScalarField(Tsource);
-        Tsource.correctBoundaryConditions();
+        particleCloud.clockM().start(26,"Flow");
 
-        // solve scalar transport equation
-        fvScalarMatrix TEqn
-        (
-           fvm::ddt(voidfraction,T) - fvm::Sp(fvc::ddt(voidfraction),T)
-         + fvm::div(phi, T) - fvm::Sp(fvc::div(phi),T)
-         - fvm::laplacian(DT*voidfraction, T)
-         ==
-           Tsource
-        );
-        TEqn.relax();
-        TEqn.solve();
+        #include "TEqn.H"
 
         if(particleCloud.solveFlow())
         {
             // Pressure-velocity PISO corrector
             {
                 // Momentum predictor
-                fvVectorMatrix UEqn
-                (
-                    fvm::ddt(voidfraction,U) - fvm::Sp(fvc::ddt(voidfraction),U)
-                  + fvm::div(phi,U) - fvm::Sp(fvc::div(phi),U)
-//                + turbulence->divDevReff(U)
-                  + particleCloud.divVoidfractionTau(U, voidfraction)
-                  ==
-                  - fvm::Sp(Ksl/rho,U)
-                );
-
-                UEqn.relax();
-                if (momentumPredictor && (modelType=="B" || modelType=="Bfull"))
-                    solve(UEqn == - fvc::grad(p) + Ksl/rho*Us);
-                else if (momentumPredictor)
-                    solve(UEqn == - voidfraction*fvc::grad(p) + Ksl/rho*Us);
+                 #include "UEqn.H"
 
                 // --- PISO loop
 
-                //for (int corr=0; corr<nCorr; corr++)
-                int nCorrSoph = nCorr + 5 * pow((1-particleCloud.dataExchangeM().timeStepFraction()),1);
-
-                for (int corr=0; corr<nCorrSoph; corr++)
+                while (piso.correct())
                 {
-                    volScalarField rUA = 1.0/UEqn.A();
-
-                    surfaceScalarField rUAf("(1|A(U))", fvc::interpolate(rUA));
-                    volScalarField rUAvoidfraction("(voidfraction2|A(U))",rUA*voidfraction);
-                    surfaceScalarField rUAfvoidfraction("(voidfraction2|A(U)F)", fvc::interpolate(rUAvoidfraction));
-
-                    U = rUA*UEqn.H();
-
-                    #ifdef version23
-                    phi = ( fvc::interpolate(U*voidfraction) & mesh.Sf() )
-                        + rUAfvoidfraction*fvc::ddtCorr(U, phi);
-                    #else
-                    phi = ( fvc::interpolate(U*voidfraction) & mesh.Sf() )
-                        + fvc::ddtPhiCorr(rUAvoidfraction, U, phi);
-                    #endif
-                    surfaceScalarField phiS(fvc::interpolate(Us*voidfraction) & mesh.Sf());
-                    surfaceScalarField phiGes = phi + rUAf*(fvc::interpolate(Ksl/rho) * phiS);
-
-                    if (modelType=="A")
-                        rUAvoidfraction = volScalarField("(voidfraction2|A(U))",rUA*voidfraction*voidfraction);
-
-                    // Non-orthogonal pressure corrector loop
-                    for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
-                    {
-                        // Pressure corrector
-                        fvScalarMatrix pEqn
-                        (
-                            fvm::laplacian(rUAvoidfraction, p) == fvc::div(phiGes) + particleCloud.ddtVoidfraction()
-                        );
-                        pEqn.setReference(pRefCell, pRefValue);
-
-                        if
-                        (
-                            corr == nCorr-1
-                         && nonOrth == nNonOrthCorr
-                        )
-                        {
-                            pEqn.solve(mesh.solver("pFinal"));
-                        }
-                        else
-                        {
-                            pEqn.solve();
-                        }
-
-                        if (nonOrth == nNonOrthCorr)
-                        {
-                            phiGes -= pEqn.flux();
-                            phi = phiGes;
-                        }
-
-                    } // end non-orthogonal corrector loop
-
-                    #include "continuityErrorPhiPU.H"
-
-                    if (modelType=="B" || modelType=="Bfull")
-                        U -= rUA*fvc::grad(p) - Ksl/rho*Us*rUA;
-                    else
-                        U -= voidfraction*rUA*fvc::grad(p) - Ksl/rho*Us*rUA;
-
-                    U.correctBoundaryConditions();
-
-                } // end piso loop
+                    #include "pEqn.H"
+                }
             }
 
+            laminarTransport.correct();
             turbulence->correct();
-        }// end solveFlow
+        }
         else
         {
             Info << "skipping flow solution." << endl;
@@ -202,6 +128,9 @@ int main(int argc, char *argv[])
         Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
             << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
     }
 
     Info<< "End\n" << endl;

applications/solvers/cfdemSolverPisoScalar/createFields.H

@@ -1,36 +1,36 @@
-    Info<< "Reading field p\n" << endl;
-    volScalarField p
-    (
-        IOobject
-        (
-            "p",
-            runTime.timeName(),
-            mesh,
-            IOobject::MUST_READ,
-            IOobject::AUTO_WRITE
-        ),
-        mesh
-    );
-
-    Info<< "Reading physical velocity field U" << endl;
-    Info<< "Note: only if voidfraction at boundary is 1, U is superficial velocity!!!\n" << endl;
-    volVectorField U
-    (
-        IOobject
-        (
-            "U",
-            runTime.timeName(),
-            mesh,
-            IOobject::MUST_READ,
-            IOobject::AUTO_WRITE
-        ),
-        mesh
-    );
-
-//========================
-// drag law modelling
-//========================
-
+    Info<< "Reading field p\n" << endl;
+    volScalarField p
+    (
+        IOobject
+        (
+            "p",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "Reading physical velocity field U" << endl;
+    Info<< "Note: only if voidfraction at boundary is 1, U is superficial velocity!!!\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//========================
+// drag law modelling
+//========================
+
     Info<< "\nReading momentum exchange field Ksl\n" << endl;
     volScalarField Ksl
     (
@@ -44,8 +44,23 @@
         ),
         mesh
         //dimensionedScalar("0", dimensionSet(0, 0, -1, 0, 0), 1.0)
-    );
-
+    );
+
+    Info<< "\nCreating body force field\n" << endl;
+    volVectorField fOther
+    (
+        IOobject
+        (
+            "fOther",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedVector("zero", dimensionSet(1,-2,-2,0,0,0,0), vector::zero)
+    );
+
     Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
     volScalarField voidfraction
     (
@@ -58,8 +73,8 @@
             IOobject::AUTO_WRITE
         ),
         mesh
-    );
-
+    );
+
     Info<< "\nCreating density field rho\n" << endl;
     volScalarField rho
     (
@@ -71,27 +86,27 @@
             IOobject::READ_IF_PRESENT,
             IOobject::AUTO_WRITE
         ),
-        mesh,
+        mesh,
         dimensionedScalar("0", dimensionSet(1, -3, 0, 0, 0), 1.0)
-    );
-
-    Info<< "Reading particle velocity field Us\n" << endl;
-    volVectorField Us
-    (
-        IOobject
-        (
-            "Us",
-            runTime.timeName(),
-            mesh,
-            IOobject::MUST_READ,
-            IOobject::AUTO_WRITE
-        ),
-        mesh
-    );
-
-//========================
-// scalar field modelling
-//========================
+    );
+
+    Info<< "Reading particle velocity field Us\n" << endl;
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//========================
+// scalar field modelling
+//========================
     Info<< "\nCreating dummy density field rho = 1\n" << endl;
     volScalarField T
     (
@@ -103,10 +118,10 @@
             IOobject::MUST_READ,
             IOobject::AUTO_WRITE
         ),
-        mesh//,
+        mesh//,
         //dimensionedScalar("0", dimensionSet(0, 0, -1, 1, 0), 273.15)
-    );
-
+    );
+
     Info<< "\nCreating fluid-particle heat flux field\n" << endl;
     volScalarField Tsource
     (
@@ -118,57 +133,59 @@
             IOobject::MUST_READ,
             IOobject::AUTO_WRITE
         ),
-        mesh//,
+        mesh//,
         //dimensionedScalar("0", dimensionSet(0, 0, -1, 1, 0), 0.0)
-    );
-
-    IOdictionary transportProperties
-    (
-        IOobject
-        (
-            "transportProperties",
-            runTime.constant(),
-            mesh,
-            IOobject::MUST_READ,
-            IOobject::NO_WRITE
-        )
-    );
-
-    dimensionedScalar DT
-    (
-        transportProperties.lookup("DT")
-    );
-
-//========================
-
-//#   include "createPhi.H"
-#ifndef createPhi_H
-#define createPhi_H
-Info<< "Reading/calculating face flux field phi\n" << endl;
-surfaceScalarField phi
- (
-     IOobject
-     (
-        "phi",
-        runTime.timeName(),
-         mesh,
-        IOobject::READ_IF_PRESENT,
-        IOobject::AUTO_WRITE
-     ),
-     linearInterpolate(U*voidfraction) & mesh.Sf()
- );
-#endif
-
-
-
-    label pRefCell = 0;
-    scalar pRefValue = 0.0;
-    setRefCell(p, mesh.solutionDict().subDict("PISO"), pRefCell, pRefValue);
-
-
-    singlePhaseTransportModel laminarTransport(U, phi);
-
-    autoPtr<incompressible::turbulenceModel> turbulence
-    (
-        incompressible::turbulenceModel::New(U, phi, laminarTransport)
-    );
+    );
+
+    IOdictionary transportProperties
+    (
+        IOobject
+        (
+            "transportProperties",
+            runTime.constant(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::NO_WRITE
+        )
+    );
+
+    dimensionedScalar DT
+    (
+        transportProperties.lookup("DT")
+    );
+
+//========================
+
+//#   include "createPhi.H"
+#ifndef createPhi_H
+#define createPhi_H
+Info<< "Reading/calculating face flux field phi\n" << endl;
+surfaceScalarField phi
+(
+    IOobject
+    (
+        "phi",
+        runTime.timeName(),
+         mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    linearInterpolate(U*voidfraction) & mesh.Sf()
+);
+#endif
+
+
+
+    label pRefCell = 0;
+    scalar pRefValue = 0.0;
+    setRefCell(p, mesh.solutionDict().subDict("PISO"), pRefCell, pRefValue);
+
+
+    singlePhaseTransportModel laminarTransport(U, phi);
+
+    autoPtr<incompressible::turbulenceModel> turbulence
+    (
+        incompressible::turbulenceModel::New(U, phi, laminarTransport)
+    );
+
+#include "createMRF.H"

applications/solvers/cfdemSolverRhoPimple/EEqn.H

@@ -0,0 +1,54 @@
+// contributions to internal energy equation can be found in
+// Crowe et al.: "Multiphase flows with droplets and particles", CRC Press 1998
+{
+    // dim he = J / kg
+    volScalarField& he = thermo.he();
+    particleCloud.energyContributions(Qsource);
+    particleCloud.energyCoefficients(QCoeff);
+
+    Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
+
+// For implict T terms in the energy/enthalpy transport equation, use
+// (he_n+1 - he_n) / (T_n+1 - T_n) = Cpv to eliminate T_n+1 with he_n+1.
+// This formula is valid for ideal gases with e=e(T) and h=h(T). For
+// incompressible fluids, e=e(T) holds, too, but enthalpy would need correction
+// terms accounting for pressure variations.
+
+    fvScalarMatrix EEqn
+    (
+        fvm::ddt(rhoeps, he) + fvm::div(phi, he)
+      + fvc::ddt(rhoeps, K) + fvc::div(phi, K)
+      + (
+            he.name() == "e"
+          ? fvc::div
+            (
+                fvc::absolute(phi/fvc::interpolate(rho), voidfraction*U),
+                p,
+                "div(phiv,p)"
+            )
+          : -dpdt
+        )
+      - Qsource
+      - QCoeff*T
+      - fvm::Sp(QCoeff/Cpv, he)
+      + QCoeff/Cpv*he
+      - fvc::laplacian(voidfraction*thCond,T)
+      - fvm::laplacian(voidfraction*thCond/Cpv,he)
+      + fvc::laplacian(voidfraction*thCond/Cpv,he)
+     ==
+        fvOptions(rho, he)
+    );
+
+
+    EEqn.relax();
+
+    fvOptions.constrain(EEqn);
+
+    EEqn.solve();
+
+    fvOptions.correct(he);
+
+    thermo.correct();
+
+    Info<< "T max/min/ave : " << max(T).value() << " " << min(T).value() << " " << average(T).value() << endl;
+}

applications/solvers/cfdemSolverRhoPimple/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverRhoPimple.C
+
+EXE=$(CFDEM_APP_DIR)/cfdemSolverRhoPimple

applications/solvers/cfdemSolverRhoPimple/Make/options

@@ -0,0 +1,34 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+PFLAGS+= -Dcompre
+
+EXE_INC = \
+     $(PFLAGS) \
+    -I$(LIB_SRC)/transportModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \
+    -I$(LIB_SRC)/finiteVolume/cfdTools \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -Wno-deprecated-copy
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lcompressibleTransportModels \
+    -lfluidThermophysicalModels \
+    -lspecie \
+    -lturbulenceModels \
+    -lcompressibleTurbulenceModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lsampling \
+    -lfvOptions \
+    -l$(CFDEM_LIB_COMP_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverRhoPimple/UEqn.H

@@ -0,0 +1,33 @@
+// Solve the Momentum equation
+particleCloud.otherForces(fOther);
+
+tmp<fvVectorMatrix> tUEqn
+(
+    fvm::ddt(rhoeps, U)
+  + fvm::div(phi, U)
+  + particleCloud.divVoidfractionTau(U, voidfraction)
+  + fvm::Sp(Ksl,U)
+  - fOther
+ ==
+    fvOptions(rho, U)
+);
+fvVectorMatrix& UEqn = tUEqn.ref();
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (pimple.momentumPredictor() && (modelType=="B" || modelType=="Bfull"))
+{
+    solve(UEqn == -fvc::grad(p)+ Ksl*Us);
+
+    fvOptions.correct(U);
+    K = 0.5*magSqr(U);
+}
+else if (pimple.momentumPredictor())
+{
+    solve(UEqn == -voidfraction*fvc::grad(p)+ Ksl*Us);
+
+    fvOptions.correct(U);
+    K = 0.5*magSqr(U);
+}

applications/solvers/cfdemSolverRhoPimple/cfdemSolverRhoPimple.C

@@ -0,0 +1,184 @@
+/*---------------------------------------------------------------------------*\
+License
+
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2015- Thomas Lichtenegger, JKU Linz, Austria
+
+Application
+    cfdemSolverRhoPimple
+
+Description
+    Transient solver for compressible flow using the flexible PIMPLE (PISO-SIMPLE)
+    algorithm.
+    Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
+    The code is an evolution of the solver rhoPimpleFoam in OpenFOAM(R) 4.x,
+    where additional functionality for CFD-DEM coupling is added.
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "psiThermo.H"
+#include "turbulentFluidThermoModel.H"
+#include "bound.H"
+#include "pimpleControl.H"
+#if OPENFOAM_VERSION_MAJOR >= 5
+#include "pressureControl.H"
+#endif
+#include "fvOptions.H"
+#include "localEulerDdtScheme.H"
+#include "fvcSmooth.H"
+
+
+#include "cfdemCloudEnergy.H"
+#include "implicitCouple.H"
+#include "clockModel.H"
+#include "smoothingModel.H"
+#include "forceModel.H"
+#include "thermCondModel.H"
+#include "energyModel.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "postProcess.H"
+
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "createTimeControls.H"
+    #include "createRDeltaT.H"
+    #include "initContinuityErrs.H"
+    #include "createFields.H"
+    #include "createFieldRefs.H"
+    #include "createFvOptions.H"
+
+    // create cfdemCloud
+    #include "readGravitationalAcceleration.H"
+    cfdemCloudEnergy particleCloud(mesh);
+    #include "checkModelType.H"
+
+    turbulence->validate();
+
+    #include "compressibleCourantNo.H"
+    #include "setInitialDeltaT.H"
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+    bool firstStep = true;
+
+    while (runTime.run())
+    {
+        #include "readTimeControls.H"
+
+        #include "compressibleCourantNo.H"
+        #include "setDeltaT.H"
+
+        runTime++;
+
+        particleCloud.clockM().start(1,"Global");
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        // do particle stuff
+        particleCloud.clockM().start(2,"Coupling");
+
+        bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
+
+        if(hasEvolved && smoothenForces)
+        {
+            particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
+        }
+
+        Info << "update Ksl.internalField()" << endl;
+        Ksl = particleCloud.momCoupleM(0).impMomSource();
+        Ksl.correctBoundaryConditions();
+
+        //Force Checks
+        vector fTotal(0,0,0);
+        vector fImpTotal = sum(mesh.V()*Ksl.primitiveFieldRef()*(Us.primitiveFieldRef()-U.primitiveFieldRef()));
+        reduce(fImpTotal, sumOp<vector>());
+        Info << "TotalForceExp: " << fTotal << endl;
+        Info << "TotalForceImp: " << fImpTotal << endl;
+
+        #include "solverDebugInfo.H"
+
+        particleCloud.clockM().stop("Coupling");
+
+        particleCloud.clockM().start(26,"Flow");
+
+#if OPENFOAM_VERSION_MAJOR < 6
+        if (pimple.nCorrPIMPLE() <= 1)
+        {
+            #include "rhoEqn.H"
+        }
+        rhoeps = rho*voidfraction;
+#endif
+
+        // --- Pressure-velocity PIMPLE corrector loop
+        while (pimple.loop())
+        {
+#if OPENFOAM_VERSION_MAJOR >= 6
+            if (pimple.firstIter())
+            {
+                #include "rhoEqn.H"
+                if (firstStep)
+                {
+                    rhoeps.oldTime() = rho.oldTime()*voidfraction.oldTime();
+                    firstStep = false;
+                }
+                rhoeps = rho*voidfraction;
+            }
+#endif
+
+            #include "UEqn.H"
+            #include "EEqn.H"
+
+            // --- Pressure corrector loop
+            while (pimple.correct())
+            {
+                // besides this pEqn, OF offers a "pimple consistent"-option
+                #include "pEqn.H"
+            }
+
+            if (pimple.turbCorr())
+            {
+                turbulence->correct();
+            }
+        }
+
+        particleCloud.clockM().start(31,"postFlow");
+        particleCloud.postFlow();
+        particleCloud.clockM().stop("postFlow");
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverRhoPimple/createFieldRefs.H

@@ -0,0 +1,2 @@
+const volScalarField& T = thermo.T();
+const volScalarField& psi = thermo.psi();

applications/solvers/cfdemSolverRhoPimple/createFields.H

@@ -0,0 +1,244 @@
+Info<< "Reading thermophysical properties\n" << endl;
+
+    autoPtr<psiThermo> pThermo
+    (
+        psiThermo::New(mesh)
+    );
+    psiThermo& thermo = pThermo();
+    thermo.validate(args.executable(), "h", "e");
+    volScalarField& p = thermo.p();
+
+    Info<< "Reading field rho\n" << endl;
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        thermo.rho()
+    );
+
+
+    Info<< "Reading field U\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    volScalarField rhoeps("rhoeps", rho*voidfraction);
+    rhoeps.oldTime(); // switch on saving old time
+
+    Info<< "Reading/calculating face flux field phi\n" << endl;
+    surfaceScalarField phi
+    (
+        IOobject
+        (
+            "phi",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+         ),
+         linearInterpolate(rho*U*voidfraction) & mesh.Sf()
+    );
+
+#if OPENFOAM_VERSION_MAJOR < 5
+    dimensionedScalar rhoMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMax",
+            pimple.dict(),
+            dimDensity,
+            GREAT
+        )
+    );
+
+    dimensionedScalar rhoMin
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMin",
+            pimple.dict(),
+            dimDensity,
+            0
+        )
+    );
+#else
+    pressureControl pressureControl(p, rho, pimple.dict(), false);
+#endif
+
+    Info<< "\nCreating fluid-particle heat flux field\n" << endl;
+    volScalarField Qsource
+    (
+        IOobject
+        (
+            "Qsource",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,0,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating fluid-particle heat flux coefficient field\n" << endl;
+    volScalarField QCoeff
+    (
+        IOobject
+        (
+            "QCoeff",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,-1,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating thermal conductivity field\n" << endl;
+    volScalarField thCond
+    (
+        IOobject
+        (
+            "thCond",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0),
+        "zeroGradient"
+    );
+
+    Info<< "\nCreating heat capacity field\n" << endl;
+    volScalarField Cpv
+    (
+        IOobject
+        (
+            "Cpv",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(0,2,-2,-1,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating body force field\n" << endl;
+    volVectorField fOther
+    (
+        IOobject
+        (
+            "fOther",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedVector("zero", dimensionSet(1,-2,-2,0,0,0,0), vector::zero)
+    );
+
+    bool smoothenForces
+    (
+        pimple.dict().lookupOrDefault<bool>
+        (
+            "smoothenForces",
+            false
+        )
+    );
+    if (smoothenForces) Info << "Smoothening implicit particle forces.\n" << endl;
+    else Info << "Not smoothening implicit particle forces.\n" << endl;
+
+    Info<< "Creating turbulence model\n" << endl;
+    autoPtr<compressible::turbulenceModel> turbulence
+    (
+        compressible::turbulenceModel::New
+        (
+            rho,
+            U,
+            phi,
+            thermo
+        )
+    );
+
+    mesh.setFluxRequired(p.name());
+
+    Info<< "Creating field dpdt\n" << endl;
+    volScalarField dpdt
+    (
+        IOobject
+        (
+            "dpdt",
+            runTime.timeName(),
+            mesh
+        ),
+        mesh,
+        dimensionedScalar("dpdt", p.dimensions()/dimTime, 0)
+    );
+
+    Info<< "Creating field kinetic energy K\n" << endl;
+    volScalarField K("K", 0.5*magSqr(U));
+
+    Info<< "\nReading momentum exchange field Ksl\n" << endl;
+    volScalarField Ksl
+    (
+        IOobject
+        (
+            "Ksl",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+        //dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 1.0)
+    );
+
+
+    Info<< "Reading particle velocity field Us\n" << endl;
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//===============================

applications/solvers/cfdemSolverRhoPimple/pEqn.H

@@ -0,0 +1,127 @@
+rho = thermo.rho();
+#if OPENFOAM_VERSION_MAJOR < 5
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+rhoeps = rho*voidfraction;
+#else
+rhoeps = rho*voidfraction;
+
+// Thermodynamic density needs to be updated by psi*d(p) after the
+// pressure solution
+const volScalarField psip0(psi*p);
+#endif
+
+volScalarField rAU(1.0/UEqn.A());
+surfaceScalarField rhorAUf("rhorAUf", (modelType=="A")?fvc::interpolate(voidfraction*rhoeps*rAU):fvc::interpolate(rhoeps*rAU));
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*Us)& mesh.Sf());
+
+if (pimple.nCorrPISO() <= 1)
+{
+    tUEqn.clear();
+}
+
+surfaceScalarField phiHbyA
+(
+    "phiHbyA",
+    fvc::interpolate(rhoeps)*fvc::flux(HbyA)
+  + rhorAUf*fvc::ddtCorr(rhoeps, U, phi)
+);
+
+if (pimple.transonic())
+{
+//  transonic version not implemented yet
+}
+else
+{
+    // flux without pressure gradient contribution
+    phi = phiHbyA + phiUs;
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p, rhoeps, U, phi, rhorAUf);
+
+#if OPENFOAM_VERSION_MAJOR >= 5
+    fvScalarMatrix pDDtEqn
+    (
+        fvc::ddt(rhoeps)
+      + psi*voidfraction*correction(fvm::ddt(p))
+      + fvc::div(phi)
+     ==
+        fvOptions(psi, p, rho.name())
+    );
+#endif
+
+    while (pimple.correctNonOrthogonal())
+    {
+        // Pressure corrector
+#if OPENFOAM_VERSION_MAJOR < 5
+        fvScalarMatrix pEqn
+        (
+            fvm::ddt(psi*voidfraction, p)
+          + fvc::div(phi)
+          - fvm::laplacian(rhorAUf, p)
+          ==
+            fvOptions(psi, p, rho.name())
+        );
+#else
+        fvScalarMatrix pEqn(pDDtEqn - fvm::laplacian(rhorAUf, p));
+#endif
+
+        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi += pEqn.flux();
+        }
+    }
+}
+
+// Thermodynamic density update
+#if OPENFOAM_VERSION_MAJOR >= 5
+thermo.correctRho(psi*p - psip0);
+#endif
+
+#include "rhoEqn.H"
+#include "compressibleContinuityErrsPU.H"
+
+// Explicitly relax pressure for momentum corrector
+p.relax();
+Info<< "p max/min/ave : " << max(p).value()
+    << " " << min(p).value() << " " << average(p).value() << endl;
+
+if (modelType=="A")
+{
+    U = HbyA - rAU*(voidfraction*fvc::grad(p)-Ksl*Us);
+}
+else
+{
+    U = HbyA - rAU*(fvc::grad(p)-Ksl*Us);
+}
+U.correctBoundaryConditions();
+fvOptions.correct(U);
+K = 0.5*magSqr(U);
+
+// Recalculate density from the relaxed pressure
+#if OPENFOAM_VERSION_MAJOR >= 5
+if (pressureControl.limit(p))
+{
+    p.correctBoundaryConditions();
+}
+rho = thermo.rho();
+#else
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+#endif
+rhoeps = rho*voidfraction;
+
+Info<< "rho max/min/ave : " << max(rho).value()
+    << " " << min(rho).value() << " " << average(rho).value() << endl;
+
+if (thermo.dpdt())
+{
+    dpdt = fvc::ddt(voidfraction,p);
+}

applications/solvers/cfdemSolverRhoPimple/rhoEqn.H

@@ -0,0 +1,17 @@
+{
+    fvScalarMatrix rhoEqn
+    (
+        fvm::ddt(voidfraction,rho)
+      + fvc::div(phi)
+      ==
+        fvOptions(rho)
+    );
+
+    fvOptions.constrain(rhoEqn);
+
+    rhoEqn.solve();
+
+    fvOptions.correct(rho);
+}
+
+// ************************************************************************* //

applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H

@@ -0,0 +1,58 @@
+// contributions to internal energy equation can be found in
+// Crowe et al.: "Multiphase flows with droplets and particles", CRC Press 1998
+{
+// dim he = J / kg
+volScalarField& he = thermo.he();
+particleCloud.energyContributions(Qsource);
+particleCloud.energyCoefficients(QCoeff);
+
+Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
+
+// For implict T terms in the energy/enthalpy transport equation, use
+// (he_n+1 - he_n) / (T_n+1 - T_n) = Cpv to eliminate T_n+1 with he_n+1.
+// This formula is valid for ideal gases with e=e(T) and h=h(T). For
+// incompressible fluids, e=e(T) holds, too, but enthalpy would need correction
+// terms accounting for pressure variations.
+
+fvScalarMatrix EEqn
+(
+    fvm::ddt(rhoeps, he) + fvm::div(phi, he)
+  + fvc::ddt(rhoeps, K) + fvc::div(phi, K)
+    + (
+        he.name() == "e"
+        ? fvc::div
+            (
+                fvc::absolute(phi/fvc::interpolate(rho), voidfraction*U),
+                p,
+              "div(phiv,p)"
+           )
+          : -dpdt
+       )
+      - Qsource
+      - QCoeff*T
+      - fvm::Sp(QCoeff/Cpv, he)
+      + QCoeff/Cpv*he
+      - fvc::laplacian(voidfraction*thCond,T)
+      - fvm::laplacian(voidfraction*thCond/Cpv,he)
+      + fvc::laplacian(voidfraction*thCond/Cpv,he)
+     ==
+//      + combustion->Sh()
+       fvOptions(rho, he)
+    );
+
+    EEqn.relax();
+
+    fvOptions.constrain(EEqn);
+
+    EEqn.solve();
+
+    fvOptions.correct(he);
+
+    thermo.correct();
+
+    Info<< "Qsource :"      << max(Qsource).value() << " " << min(Qsource).value()  << endl;
+    Info<< "QCoeff :"       << max(QCoeff).value()  << " " << min(QCoeff).value()   << endl;
+    Info<< "Cpv :"          << max(Cpv).value() << " " << min(Cpv).value()  << endl;
+    Info<< "T max/min/ave : " << max(T).value() << " " << min(T).value() << " " << average(T).value() << endl;
+    Info<< "he max/min : "  << max(he).value()  << " " << min(he).value()   << endl;
+}

applications/solvers/cfdemSolverRhoPimpleChem/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverRhoPimpleChem.C
+
+EXE=$(CFDEM_APP_DIR)/cfdemSolverRhoPimpleChem

applications/solvers/cfdemSolverRhoPimpleChem/Make/options

@@ -0,0 +1,51 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+PFLAGS+= -Dcompre
+
+EXE_INC = \
+     $(PFLAGS) \
+    -I$(LIB_SRC)/finiteVolume/cfdTools \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(LIB_SRC)/fvOptions/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/transportModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
+    -I$(LIB_SRC)/regionModels/regionModel/lnInclude \
+    -I$(LIB_SRC)/regionModels/surfaceFilmModels/lnInclude \
+    -I$(LIB_SRC)/ODE/lnInclude \
+    -I$(LIB_SRC)/combustionModels/lnInclude \
+    -Wno-deprecated-copy
+
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)  \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lturbulenceModels \
+    -lcompressibleTurbulenceModels \
+    -lcompressibleTransportModels \
+    -lfluidThermophysicalModels \
+    -lspecie \
+    -lsampling \
+    -lfvOptions \
+    -l$(CFDEM_LIB_COMP_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS) \
+    -lreactionThermophysicalModels \
+    -lchemistryModel \
+    -lradiationModels \
+    -lregionModels \
+    -lsurfaceFilmModels \
+    -lODE \
+    -lcombustionModels

applications/solvers/cfdemSolverRhoPimpleChem/UEqn.H

@@ -0,0 +1,31 @@
+// Solve the Momentum equation
+tmp<fvVectorMatrix> tUEqn
+
+(
+    fvm::ddt(rhoeps,U) + fvm::div(phi, U)
+   + particleCloud.divVoidfractionTau(U, voidfraction)
+   + fvm::Sp(Ksl,U)
+ ==
+    fvOptions(rho, U)
+);
+fvVectorMatrix& UEqn = tUEqn.ref();
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (pimple.momentumPredictor() && (modelType=="B" || modelType=="Bfull"))
+{
+    solve(UEqn == -fvc::grad(p)+ Ksl*Us);
+
+    fvOptions.correct(U);
+    K = 0.5*magSqr(U);
+}
+else if (pimple.momentumPredictor())
+{
+    solve(UEqn == -voidfraction*fvc::grad(p)+ Ksl*Us);
+
+    fvOptions.correct(U);
+    K = 0.5*magSqr(U);
+}
+

applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H

@@ -0,0 +1,80 @@
+particleCloud.clockM().start(29,"Y");
+
+tmp<fv::convectionScheme<scalar> > mvConvection
+(
+    fv::convectionScheme<scalar>::New
+    (
+        mesh,
+        fields,
+        phi,
+        mesh.divScheme("div(phi,Yi_h)")
+    )
+);
+
+{
+    combustion->correct();
+#if OPENFOAM_VERSION_MAJOR < 5
+    dQ = combustion->dQ();
+#else
+    Qdot = combustion->Qdot();
+#endif
+    label inertIndex = -1;
+    volScalarField Yt(0.0*Y[0]);
+
+    forAll(Y, i)
+    {
+        if (Y[i].name() == inertSpecie) inertIndex = i;
+        if (Y[i].name() != inertSpecie || propagateInertSpecie)
+        {
+            volScalarField& Yi = Y[i];
+
+            fvScalarMatrix YiEqn
+            (
+                fvm::ddt(rhoeps, Yi)
+              + mvConvection->fvmDiv(phi, Yi)
+              - fvm::laplacian(voidfraction*turbulence->muEff(), Yi)
+              ==
+               combustion->R(Yi)
+              + particleCloud.chemistryM(0).Smi(i)
+              + fvOptions(rho, Yi)
+            );
+
+            YiEqn.relax();
+
+            fvOptions.constrain(YiEqn);
+
+            YiEqn.solve(mesh.solver("Yi"));
+
+            fvOptions.correct(Yi);
+
+            Yi.max(0.0);
+            if (Y[i].name() != inertSpecie) Yt += Yi;
+        }
+    }
+
+    if (inertIndex!=-1)
+    {
+        Y[inertIndex].max(inertLowerBound);
+        Y[inertIndex].min(inertUpperBound);
+    }
+
+    if (propagateInertSpecie)
+    {
+        if (inertIndex!=-1) Yt /= (1-Y[inertIndex] + ROOTVSMALL);
+        forAll(Y,i)
+        {
+            if (i!=inertIndex)
+            {
+                volScalarField& Yi = Y[i];
+                Yi = Yi/(Yt+ROOTVSMALL);
+            }
+        }
+    }
+    else
+    {
+        Y[inertIndex] = scalar(1) - Yt;
+        Y[inertIndex].max(0.0);
+    }
+}
+
+particleCloud.clockM().stop("Y");

applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C

@@ -0,0 +1,198 @@
+/*---------------------------------------------------------------------------*\
+License
+
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2015- Thomas Lichtenegger, JKU Linz, Austria
+
+Application
+    cfdemSolverRhoPimpleChem
+
+Description
+    Transient solver for compressible flow using the flexible PIMPLE (PISO-SIMPLE)
+    algorithm.
+    Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
+    The code is an evolution of the solver rhoPimpleFoam in OpenFOAM(R) 4.x,
+    where additional functionality for CFD-DEM coupling is added.
+\*---------------------------------------------------------------------------*/
+
+
+#include "fvCFD.H"
+#include "turbulentFluidThermoModel.H"
+#if OPENFOAM_VERSION_MAJOR < 6
+#include "rhoCombustionModel.H"
+#else
+#include "rhoReactionThermo.H"
+#include "CombustionModel.H"
+#endif
+#include "bound.H"
+#include "pimpleControl.H"
+#if OPENFOAM_VERSION_MAJOR >= 5
+#include "pressureControl.H"
+#endif
+#include "fvOptions.H"
+#include "localEulerDdtScheme.H"
+#include "fvcSmooth.H"
+
+
+#include "cfdemCloudEnergy.H"
+#include "implicitCouple.H"
+#include "clockModel.H"
+#include "smoothingModel.H"
+#include "forceModel.H"
+#include "thermCondModel.H"
+#include "energyModel.H"
+#include "chemistryModel.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "postProcess.H"
+
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "createTimeControls.H"
+    #include "createRDeltaT.H"
+
+    #include "initContinuityErrs.H"
+    #include "createFields.H"
+    #include "createFieldRefs.H"
+    #include "createFvOptions.H"
+
+    // create cfdemCloud
+    #include "readGravitationalAcceleration.H"
+    cfdemCloudEnergy particleCloud(mesh);
+    #include "checkModelType.H"
+
+    turbulence->validate();
+
+    #include "compressibleCourantNo.H"
+    #include "setInitialDeltaT.H"
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+    bool firstStep = true;
+
+    // monitor mass variables
+    scalar m(0.0);
+    scalar m0(0.0);
+    label counter(0);
+
+    while (runTime.run())
+    {
+        #include "readTimeControls.H"
+        #include "compressibleCourantNo.H"
+        #include "setDeltaT.H"
+
+        runTime++;
+
+        particleCloud.clockM().start(1,"Global");
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        // do particle stuff
+        particleCloud.clockM().start(2,"Coupling");
+        bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
+
+        if(hasEvolved)
+        {
+            particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
+        }
+
+        Info << "update Ksl.internalField()" << endl;
+        Ksl = particleCloud.momCoupleM(0).impMomSource();
+        Ksl.correctBoundaryConditions();
+
+       //Force Checks
+       vector fTotal(0,0,0);
+       vector fImpTotal = sum(mesh.V()*Ksl.primitiveFieldRef()*(Us.primitiveFieldRef()-U.primitiveFieldRef()));
+       reduce(fImpTotal, sumOp<vector>());
+       Info << "TotalForceExp: " << fTotal << endl;
+       Info << "TotalForceImp: " << fImpTotal << endl;
+
+       #include "solverDebugInfo.H"
+       particleCloud.clockM().stop("Coupling");
+
+       particleCloud.clockM().start(26,"Flow");
+
+#if OPENFOAM_VERSION_MAJOR < 6
+        if (pimple.nCorrPIMPLE() <= 1)
+        {
+            #include "rhoEqn.H"
+        }
+        rhoeps = rho*voidfraction;
+#endif
+
+        // --- Pressure-velocity PIMPLE corrector loop
+        while (pimple.loop())
+        {
+#if OPENFOAM_VERSION_MAJOR >= 6
+            if (pimple.firstIter())
+            {
+                #include "rhoEqn.H"
+                if (firstStep)
+                {
+                    rhoeps.oldTime() = rho.oldTime()*voidfraction.oldTime();
+                    firstStep = false;
+                }
+                rhoeps = rho*voidfraction;
+            }
+#endif
+
+            #include "UEqn.H"
+            #include "YEqn.H"
+            #include "EEqn.H"
+
+            // --- Pressure corrector loop
+            while (pimple.correct())
+            {
+                #include "molConc.H"
+                #include "pEqn.H"
+            }
+
+            if (pimple.turbCorr())
+            {
+                turbulence->correct();
+            }
+        }
+
+        #include "monitorMass.H"
+
+        particleCloud.clockM().start(31,"postFlow");
+        particleCloud.postFlow();
+        particleCloud.clockM().stop("postFlow");
+
+        runTime.write();
+
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverRhoPimpleChem/createFieldRefs.H

@@ -0,0 +1,2 @@
+const volScalarField& T = thermo.T();
+const volScalarField& psi = thermo.psi();

applications/solvers/cfdemSolverRhoPimpleChem/createFields.H

@@ -0,0 +1,313 @@
+    //  thermodynamics, chemistry
+
+#if OPENFOAM_VERSION_MAJOR < 6
+    Info<< "Creating combustion model\n" << endl;
+    autoPtr<combustionModels::rhoCombustionModel> combustion
+    (
+        combustionModels::rhoCombustionModel::New(mesh)
+    );
+    rhoReactionThermo& thermo = combustion->thermo();
+#else
+    Info<< "Reading thermophysical properties\n" << endl;
+    autoPtr<rhoReactionThermo> pThermo(rhoReactionThermo::New(mesh));
+    rhoReactionThermo& thermo = pThermo();
+#endif
+    thermo.validate(args.executable(), "h", "e");
+
+    basicSpecieMixture& composition = thermo.composition();
+    PtrList<volScalarField>& Y = composition.Y();
+
+    // read molecular weight
+#if OPENFOAM_VERSION_MAJOR < 6
+    volScalarField W(composition.W());
+#else
+    volScalarField W(thermo.W());
+#endif
+
+    Switch propagateInertSpecie(true);
+
+    const word inertSpecie(thermo.lookup("inertSpecie"));
+
+    const scalar inertLowerBound(thermo.lookupOrDefault<scalar>("inertLowerBound",0.0));
+
+    const scalar inertUpperBound(thermo.lookupOrDefault<scalar>("inertUpperBound",1.0));
+
+    if (!composition.contains(inertSpecie))
+    {
+        FatalErrorIn(args.executable())
+            << "Specified inert specie '" << inertSpecie << "' not found in "
+            << "species list. Available species:" << composition.species()
+            << exit(FatalError);
+    }
+
+    Info<< "inert will be bounded in [" << inertLowerBound << "," << inertUpperBound << "]" << endl;
+
+    volScalarField& p = thermo.p();
+
+    multivariateSurfaceInterpolationScheme<scalar>::fieldTable fields;
+
+    forAll(Y, i)
+    {
+        fields.add(Y[i]);
+    }
+    fields.add(thermo.he());
+
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        thermo.rho()
+    );
+
+    //  kinematic fields
+    Info<< "Reading field U\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    volScalarField rhoeps("rhoeps", rho*voidfraction);
+    rhoeps.oldTime(); // switch on saving old time
+
+    Info<< "Reading/calculating face flux field phi\n" << endl;
+    surfaceScalarField phi
+    (
+        IOobject
+        (
+            "phi",
+            runTime.timeName(),
+             mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+         ),
+         linearInterpolate(rho*U*voidfraction) & mesh.Sf()
+    );
+
+#if OPENFOAM_VERSION_MAJOR < 5
+    dimensionedScalar rhoMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMax",
+            pimple.dict(),
+            dimDensity,
+            GREAT
+        )
+    );
+
+    dimensionedScalar rhoMin
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMin",
+            pimple.dict(),
+            dimDensity,
+            0
+        )
+    );
+#else
+    pressureControl pressureControl(p, rho, pimple.dict(), false);
+#endif
+
+    Info<< "\nCreating fluid-particle heat flux field\n" << endl;
+    volScalarField Qsource
+    (
+        IOobject
+        (
+            "Qsource",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,0,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating fluid-particle heat flux coefficient field\n" << endl;
+    volScalarField QCoeff
+    (
+        IOobject
+        (
+            "QCoeff",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,-1,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating thermal conductivity field\n" << endl;
+    volScalarField thCond
+    (
+        IOobject
+        (
+            "thCond",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0),
+        "zeroGradient"
+    );
+
+    Info<< "\nCreating heat capacity field\n" << endl;
+    volScalarField Cpv
+    (
+        IOobject
+        (
+            "Cpv",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(0,2,-2,-1,0,0,0), 0.0)
+    );
+
+
+    Info<< "Creating turbulence model\n" << endl;
+    autoPtr<compressible::turbulenceModel> turbulence
+    (
+        compressible::turbulenceModel::New
+        (
+            rho,
+            U,
+            phi,
+            thermo
+        )
+    );
+
+    mesh.setFluxRequired(p.name());
+
+#if OPENFOAM_VERSION_MAJOR >= 6
+    Info<< "Creating combustion model\n" << endl;
+    autoPtr<CombustionModel<rhoReactionThermo>> combustion
+    (
+        CombustionModel<rhoReactionThermo>::New(thermo, turbulence())
+    );
+#endif
+
+    Info<< "Creating field dpdt\n" << endl;
+    volScalarField dpdt
+    (
+        IOobject
+        (
+            "dpdt",
+            runTime.timeName(),
+            mesh
+        ),
+        mesh,
+        dimensionedScalar("dpdt", p.dimensions()/dimTime, 0)
+    );
+
+    Info<< "Creating field kinetic energy K\n" << endl;
+    volScalarField K("K", 0.5*magSqr(U));
+
+#if OPENFOAM_VERSION_MAJOR < 5
+    volScalarField dQ
+    (
+        IOobject
+        (
+            "dQ",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("dQ", dimEnergy/dimTime, 0.0)
+    );
+#else
+    volScalarField Qdot
+    (
+        IOobject
+        (
+            "Qdot",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("Qdot", dimEnergy/dimVolume/dimTime, 0.0)
+    );
+#endif
+
+    Info<< "\nReading momentum exchange field Ksl\n" << endl;
+    volScalarField Ksl
+    (
+        IOobject
+        (
+            "Ksl",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+        //dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 1.0)
+    );
+
+
+    Info<< "Reading particle velocity field Us\n" << endl;
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    volScalarField molarConc
+    (
+        IOobject
+        (
+            "molarConc",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero",dimensionSet(0, -3, 0, 0, 1),0)
+    );
+//===============================

applications/solvers/cfdemSolverRhoPimpleChem/debugYEqn.H

@@ -0,0 +1,27 @@
+{
+            volScalarField artMass = rhoeps;
+            scalar lowestValue(0.0);
+            label lVCell(-1);
+            forAll(Yi,cellI)
+            {
+                if(Yi[cellI] < 0.0)
+                {
+                   artMass[cellI] *= Yi[cellI];
+                   if(artMass[cellI] < lowestValue)
+                   {
+                       lowestValue=artMass[cellI];
+                       lVCell = cellI;
+                   }
+                }
+                else
+                {
+                    artMass[cellI] *=0.0;
+                }
+            }
+            Info << "\nartificial mass of species " << Y[i].name() << " per time step: "<< fvc::domainIntegrate(artMass) << endl;
+            if(lVCell > -1)
+            {
+                Pout << Y[i].name() << ": time / lowest value " << runTime.timeName() << "\t" << lowestValue << "\n\tat cell " << lVCell << " with coordinates";
+                Pout << "\t" << mesh.C()[lVCell].component(0) << "\t" << mesh.C()[lVCell].component(1)  << "\t" << mesh.C()[lVCell].component(2) << endl;
+            }
+}

applications/solvers/cfdemSolverRhoPimpleChem/molConc.H

@@ -0,0 +1,12 @@
+{
+    molarConc = 0.0 * molarConc;
+    forAll(Y, i)
+    {
+        volScalarField& Yi = Y[i];
+        dimensionedScalar mi("mi",dimensionSet(1, 0, 0, 0, -1),composition.W(i));
+        mi /= 1000.0; // g to kg
+        molarConc += rho * Yi / mi;
+    }
+}
+
+// ************************************************************************* //

applications/solvers/cfdemSolverRhoPimpleChem/monitorMass.H

@@ -0,0 +1,7 @@
+{
+    m=gSum(rhoeps*1.0*rhoeps.mesh().V());
+    if(counter==0) m0=m;
+    counter++;
+    Info << "\ncurrent gas mass = " << m << "\n" << endl;
+    Info << "\ncurrent added gas mass = " << m-m0 << "\n" << endl;
+}

applications/solvers/cfdemSolverRhoPimpleChem/pEqn.H

@@ -0,0 +1,131 @@
+rho = thermo.rho();
+#if OPENFOAM_VERSION_MAJOR < 5
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+rhoeps = rho*voidfraction;
+#else
+rhoeps = rho*voidfraction;
+
+// Thermodynamic density needs to be updated by psi*d(p) after the
+// pressure solution
+const volScalarField psip0(psi*p);
+#endif
+
+volScalarField rAU(1.0/UEqn.A());
+surfaceScalarField rhorAUf("rhorAUf", (modelType=="A")?fvc::interpolate(voidfraction*rhoeps*rAU):fvc::interpolate(rhoeps*rAU));
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*Us)& mesh.Sf());
+
+if (pimple.nCorrPISO() <= 1)
+{
+    tUEqn.clear();
+}
+
+surfaceScalarField phiHbyA
+(
+    "phiHbyA",
+        fvc::interpolate(rhoeps)*fvc::flux(HbyA)
+      + rhorAUf*fvc::ddtCorr(rhoeps, U, phi)
+);
+
+if (pimple.transonic())
+{
+//  transonic version not implemented yet
+}
+else
+{
+    // flux without pressure gradient contribution
+    phi = phiHbyA + phiUs;
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p, rhoeps, U, phi, rhorAUf);
+
+    volScalarField SmbyP(particleCloud.chemistryM(0).Sm() / p);
+
+#if OPENFOAM_VERSION_MAJOR >= 5
+    fvScalarMatrix pDDtEqn
+    (
+        fvc::ddt(rhoeps)
+      + psi*voidfraction*correction(fvm::ddt(p))
+      + fvc::div(phi)
+     ==
+        fvm::Sp(SmbyP, p)
+      + fvOptions(psi, p, rho.name())
+    );
+#endif
+
+    while (pimple.correctNonOrthogonal())
+    {
+        // Pressure corrector
+#if OPENFOAM_VERSION_MAJOR < 5
+        fvScalarMatrix pEqn
+        (
+            fvm::ddt(voidfraction, psi, p)
+          + fvc::div(phi)
+          - fvm::laplacian(rhorAUf, p)
+          ==
+            fvm::Sp(SmbyP, p)
+          + fvOptions(psi, p, rho.name())
+        );
+#else
+        fvScalarMatrix pEqn(pDDtEqn - fvm::laplacian(rhorAUf, p));
+#endif
+
+        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi += pEqn.flux();
+        }
+    }
+}
+
+// Thermodynamic density update
+#if OPENFOAM_VERSION_MAJOR >= 5
+thermo.correctRho(psi*p - psip0);
+#endif
+
+#include "rhoEqn.H"
+#include "compressibleContinuityErrsPU.H"
+
+// Explicitly relax pressure for momentum corrector
+p.relax();
+Info<< "p max/min/ave : " << max(p).value()
+    << " " << min(p).value() << " " << average(p).value() << endl;
+
+if (modelType=="A")
+{
+    U = HbyA - rAU*(voidfraction*fvc::grad(p)-Ksl*Us);
+}
+else
+{
+    U = HbyA - rAU*(fvc::grad(p)-Ksl*Us);
+}
+U.correctBoundaryConditions();
+fvOptions.correct(U);
+K = 0.5*magSqr(U);
+
+// Recalculate density from the relaxed pressure
+#if OPENFOAM_VERSION_MAJOR >= 5
+if (pressureControl.limit(p))
+{
+    p.correctBoundaryConditions();
+}
+rho = thermo.rho();
+#else
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+#endif
+rhoeps = rho*voidfraction;
+
+Info<< "rho max/min/ave : " << max(rho).value()
+    << " " << min(rho).value() << " " << average(rho).value() << endl;
+
+if (thermo.dpdt())
+{
+    dpdt = fvc::ddt(voidfraction,p);
+}

applications/solvers/cfdemSolverRhoPimpleChem/pEqn_alternative.H

@@ -0,0 +1,109 @@
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+
+rhoeps = rho * voidfraction;
+
+// Thermodynamic density needs to be updated by psi*d(p) after the
+// pressure solution - done in 2 parts. Part 1:
+thermo.rho() -= psi*p;
+
+volScalarField rAU(1.0/UEqn.A());
+surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rhoeps*rAU));
+if (modelType=="A")
+{
+    rhorAUf *= fvc::interpolate(voidfraction);
+}
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*Us)& mesh.Sf());
+
+if (pimple.nCorrPISO() <= 1)
+{
+    tUEqn.clear();
+}
+
+if (pimple.transonic())
+{
+//  transonic version not implemented yet
+}
+else
+{
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        (
+            fvc::flux(rhoeps*HbyA)
+    //      + rhorAUf*fvc::ddtCorr(rho, U, phi)
+        )
+    );
+
+    // flux without pressure gradient contribution
+    phi = phiHbyA + phiUs;
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p, rhoeps, U, phi, rhorAUf);
+
+    volScalarField SmbyP(particleCloud.chemistryM(0).Sm() / p);
+    while (pimple.correctNonOrthogonal())
+    {
+        // Pressure corrector
+        fvScalarMatrix pEqn
+        (
+         //   fvm::ddt(psi*voidfraction, p)
+          fvc::ddt(rhoeps) + psi*correction(fvm::ddt(voidfraction,p))
+          + fvc::div(phi)
+          - fvm::laplacian(rhorAUf, p)
+          ==
+     //      particleCloud.chemistryM(0).Sm()
+            fvm::Sp(SmbyP, p)
+          + fvOptions(psi, p, rho.name())
+
+        );
+
+        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi += pEqn.flux();
+        }
+    }
+}
+
+#include "rhoEqn.H"
+#include "compressibleContinuityErrsPU.H"
+
+// Explicitly relax pressure for momentum corrector
+p.relax();
+// Second part of thermodynamic density update
+thermo.rho() += psi*p;
+
+// Recalculate density from the relaxed pressure
+rho = thermo.rho();
+
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+
+rhoeps = rho * voidfraction;
+
+Info<< "rho max/min : " << max(rho).value()
+    << " " << min(rho).value() << endl;
+
+if (modelType=="A")
+{
+    U = HbyA - rAU*(voidfraction*fvc::grad(p)-Ksl*Us);
+}
+else
+{
+    U = HbyA - rAU*(fvc::grad(p)-Ksl*Us);
+}
+U.correctBoundaryConditions();
+fvOptions.correct(U);
+K = 0.5*magSqr(U);
+
+if (thermo.dpdt())
+{
+    dpdt = fvc::ddt(voidfraction,p);
+}

applications/solvers/cfdemSolverRhoPimpleChem/rhoEqn.H

@@ -0,0 +1,18 @@
+{
+    fvScalarMatrix rhoEqn
+    (
+        fvm::ddt(voidfraction,rho)
+      + fvc::div(phi)
+      ==
+        particleCloud.chemistryM(0).Sm()
+      + fvOptions(rho)
+    );
+
+    fvOptions.constrain(rhoEqn);
+
+    rhoEqn.solve();
+
+    fvOptions.correct(rho);
+}
+
+// ************************************************************************* //