Merge pull request #125 from ParticulateFlow/release

Release 21.11

.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

@@ -5,6 +5,8 @@
 log_*
 log.*
 *~
+*.swp
+*.swo
 
 **/linux*Gcc*/
 **/.vscode

LICENSE

@@ -0,0 +1,674 @@
+                    GNU GENERAL PUBLIC LICENSE
+                       Version 3, 29 June 2007
+
+ Copyright (C) 2007 Free Software Foundation, Inc. <https://fsf.org/>
+ Everyone is permitted to copy and distribute verbatim copies
+ of this license document, but changing it is not allowed.
+
+                            Preamble
+
+  The GNU General Public License is a free, copyleft license for
+software and other kinds of works.
+
+  The licenses for most software and other practical works are designed
+to take away your freedom to share and change the works.  By contrast,
+the GNU General Public License is intended to guarantee your freedom to
+share and change all versions of a program--to make sure it remains free
+software for all its users.  We, the Free Software Foundation, use the
+GNU General Public License for most of our software; it applies also to
+any other work released this way by its authors.  You can apply it to
+your programs, too.
+
+  When we speak of free software, we are referring to freedom, not
+price.  Our General Public Licenses are designed to make sure that you
+have the freedom to distribute copies of free software (and charge for
+them if you wish), that you receive source code or can get it if you
+want it, that you can change the software or use pieces of it in new
+free programs, and that you know you can do these things.
+
+  To protect your rights, we need to prevent others from denying you
+these rights or asking you to surrender the rights.  Therefore, you have
+certain responsibilities if you distribute copies of the software, or if
+you modify it: responsibilities to respect the freedom of others.
+
+  For example, if you distribute copies of such a program, whether
+gratis or for a fee, you must pass on to the recipients the same
+freedoms that you received.  You must make sure that they, too, receive
+or can get the source code.  And you must show them these terms so they
+know their rights.
+
+  Developers that use the GNU GPL protect your rights with two steps:
+(1) assert copyright on the software, and (2) offer you this License
+giving you legal permission to copy, distribute and/or modify it.
+
+  For the developers' and authors' protection, the GPL clearly explains
+that there is no warranty for this free software.  For both users' and
+authors' sake, the GPL requires that modified versions be marked as
+changed, so that their problems will not be attributed erroneously to
+authors of previous versions.
+
+  Some devices are designed to deny users access to install or run
+modified versions of the software inside them, although the manufacturer
+can do so.  This is fundamentally incompatible with the aim of
+protecting users' freedom to change the software.  The systematic
+pattern of such abuse occurs in the area of products for individuals to
+use, which is precisely where it is most unacceptable.  Therefore, we
+have designed this version of the GPL to prohibit the practice for those
+products.  If such problems arise substantially in other domains, we
+stand ready to extend this provision to those domains in future versions
+of the GPL, as needed to protect the freedom of users.
+
+  Finally, every program is threatened constantly by software patents.
+States should not allow patents to restrict development and use of
+software on general-purpose computers, but in those that do, we wish to
+avoid the special danger that patents applied to a free program could
+make it effectively proprietary.  To prevent this, the GPL assures that
+patents cannot be used to render the program non-free.
+
+  The precise terms and conditions for copying, distribution and
+modification follow.
+
+                       TERMS AND CONDITIONS
+
+  0. Definitions.
+
+  "This License" refers to version 3 of the GNU General Public License.
+
+  "Copyright" also means copyright-like laws that apply to other kinds of
+works, such as semiconductor masks.
+
+  "The Program" refers to any copyrightable work licensed under this
+License.  Each licensee is addressed as "you".  "Licensees" and
+"recipients" may be individuals or organizations.
+
+  To "modify" a work means to copy from or adapt all or part of the work
+in a fashion requiring copyright permission, other than the making of an
+exact copy.  The resulting work is called a "modified version" of the
+earlier work or a work "based on" the earlier work.
+
+  A "covered work" means either the unmodified Program or a work based
+on the Program.
+
+  To "propagate" a work means to do anything with it that, without
+permission, would make you directly or secondarily liable for
+infringement under applicable copyright law, except executing it on a
+computer or modifying a private copy.  Propagation includes copying,
+distribution (with or without modification), making available to the
+public, and in some countries other activities as well.
+
+  To "convey" a work means any kind of propagation that enables other
+parties to make or receive copies.  Mere interaction with a user through
+a computer network, with no transfer of a copy, is not conveying.
+
+  An interactive user interface displays "Appropriate Legal Notices"
+to the extent that it includes a convenient and prominently visible
+feature that (1) displays an appropriate copyright notice, and (2)
+tells the user that there is no warranty for the work (except to the
+extent that warranties are provided), that licensees may convey the
+work under this License, and how to view a copy of this License.  If
+the interface presents a list of user commands or options, such as a
+menu, a prominent item in the list meets this criterion.
+
+  1. Source Code.
+
+  The "source code" for a work means the preferred form of the work
+for making modifications to it.  "Object code" means any non-source
+form of a work.
+
+  A "Standard Interface" means an interface that either is an official
+standard defined by a recognized standards body, or, in the case of
+interfaces specified for a particular programming language, one that
+is widely used among developers working in that language.
+
+  The "System Libraries" of an executable work include anything, other
+than the work as a whole, that (a) is included in the normal form of
+packaging a Major Component, but which is not part of that Major
+Component, and (b) serves only to enable use of the work with that
+Major Component, or to implement a Standard Interface for which an
+implementation is available to the public in source code form.  A
+"Major Component", in this context, means a major essential component
+(kernel, window system, and so on) of the specific operating system
+(if any) on which the executable work runs, or a compiler used to
+produce the work, or an object code interpreter used to run it.
+
+  The "Corresponding Source" for a work in object code form means all
+the source code needed to generate, install, and (for an executable
+work) run the object code and to modify the work, including scripts to
+control those activities.  However, it does not include the work's
+System Libraries, or general-purpose tools or generally available free
+programs which are used unmodified in performing those activities but
+which are not part of the work.  For example, Corresponding Source
+includes interface definition files associated with source files for
+the work, and the source code for shared libraries and dynamically
+linked subprograms that the work is specifically designed to require,
+such as by intimate data communication or control flow between those
+subprograms and other parts of the work.
+
+  The Corresponding Source need not include anything that users
+can regenerate automatically from other parts of the Corresponding
+Source.
+
+  The Corresponding Source for a work in source code form is that
+same work.
+
+  2. Basic Permissions.
+
+  All rights granted under this License are granted for the term of
+copyright on the Program, and are irrevocable provided the stated
+conditions are met.  This License explicitly affirms your unlimited
+permission to run the unmodified Program.  The output from running a
+covered work is covered by this License only if the output, given its
+content, constitutes a covered work.  This License acknowledges your
+rights of fair use or other equivalent, as provided by copyright law.
+
+  You may make, run and propagate covered works that you do not
+convey, without conditions so long as your license otherwise remains
+in force.  You may convey covered works to others for the sole purpose
+of having them make modifications exclusively for you, or provide you
+with facilities for running those works, provided that you comply with
+the terms of this License in conveying all material for which you do
+not control copyright.  Those thus making or running the covered works
+for you must do so exclusively on your behalf, under your direction
+and control, on terms that prohibit them from making any copies of
+your copyrighted material outside their relationship with you.
+
+  Conveying under any other circumstances is permitted solely under
+the conditions stated below.  Sublicensing is not allowed; section 10
+makes it unnecessary.
+
+  3. Protecting Users' Legal Rights From Anti-Circumvention Law.
+
+  No covered work shall be deemed part of an effective technological
+measure under any applicable law fulfilling obligations under article
+11 of the WIPO copyright treaty adopted on 20 December 1996, or
+similar laws prohibiting or restricting circumvention of such
+measures.
+
+  When you convey a covered work, you waive any legal power to forbid
+circumvention of technological measures to the extent such circumvention
+is effected by exercising rights under this License with respect to
+the covered work, and you disclaim any intention to limit operation or
+modification of the work as a means of enforcing, against the work's
+users, your or third parties' legal rights to forbid circumvention of
+technological measures.
+
+  4. Conveying Verbatim Copies.
+
+  You may convey verbatim copies of the Program's source code as you
+receive it, in any medium, provided that you conspicuously and
+appropriately publish on each copy an appropriate copyright notice;
+keep intact all notices stating that this License and any
+non-permissive terms added in accord with section 7 apply to the code;
+keep intact all notices of the absence of any warranty; and give all
+recipients a copy of this License along with the Program.
+
+  You may charge any price or no price for each copy that you convey,
+and you may offer support or warranty protection for a fee.
+
+  5. Conveying Modified Source Versions.
+
+  You may convey a work based on the Program, or the modifications to
+produce it from the Program, in the form of source code under the
+terms of section 4, provided that you also meet all of these conditions:
+
+    a) The work must carry prominent notices stating that you modified
+    it, and giving a relevant date.
+
+    b) The work must carry prominent notices stating that it is
+    released under this License and any conditions added under section
+    7.  This requirement modifies the requirement in section 4 to
+    "keep intact all notices".
+
+    c) You must license the entire work, as a whole, under this
+    License to anyone who comes into possession of a copy.  This
+    License will therefore apply, along with any applicable section 7
+    additional terms, to the whole of the work, and all its parts,
+    regardless of how they are packaged.  This License gives no
+    permission to license the work in any other way, but it does not
+    invalidate such permission if you have separately received it.
+
+    d) If the work has interactive user interfaces, each must display
+    Appropriate Legal Notices; however, if the Program has interactive
+    interfaces that do not display Appropriate Legal Notices, your
+    work need not make them do so.
+
+  A compilation of a covered work with other separate and independent
+works, which are not by their nature extensions of the covered work,
+and which are not combined with it such as to form a larger program,
+in or on a volume of a storage or distribution medium, is called an
+"aggregate" if the compilation and its resulting copyright are not
+used to limit the access or legal rights of the compilation's users
+beyond what the individual works permit.  Inclusion of a covered work
+in an aggregate does not cause this License to apply to the other
+parts of the aggregate.
+
+  6. Conveying Non-Source Forms.
+
+  You may convey a covered work in object code form under the terms
+of sections 4 and 5, provided that you also convey the
+machine-readable Corresponding Source under the terms of this License,
+in one of these ways:
+
+    a) Convey the object code in, or embodied in, a physical product
+    (including a physical distribution medium), accompanied by the
+    Corresponding Source fixed on a durable physical medium
+    customarily used for software interchange.
+
+    b) Convey the object code in, or embodied in, a physical product
+    (including a physical distribution medium), accompanied by a
+    written offer, valid for at least three years and valid for as
+    long as you offer spare parts or customer support for that product
+    model, to give anyone who possesses the object code either (1) a
+    copy of the Corresponding Source for all the software in the
+    product that is covered by this License, on a durable physical
+    medium customarily used for software interchange, for a price no
+    more than your reasonable cost of physically performing this
+    conveying of source, or (2) access to copy the
+    Corresponding Source from a network server at no charge.
+
+    c) Convey individual copies of the object code with a copy of the
+    written offer to provide the Corresponding Source.  This
+    alternative is allowed only occasionally and noncommercially, and
+    only if you received the object code with such an offer, in accord
+    with subsection 6b.
+
+    d) Convey the object code by offering access from a designated
+    place (gratis or for a charge), and offer equivalent access to the
+    Corresponding Source in the same way through the same place at no
+    further charge.  You need not require recipients to copy the
+    Corresponding Source along with the object code.  If the place to
+    copy the object code is a network server, the Corresponding Source
+    may be on a different server (operated by you or a third party)
+    that supports equivalent copying facilities, provided you maintain
+    clear directions next to the object code saying where to find the
+    Corresponding Source.  Regardless of what server hosts the
+    Corresponding Source, you remain obligated to ensure that it is
+    available for as long as needed to satisfy these requirements.
+
+    e) Convey the object code using peer-to-peer transmission, provided
+    you inform other peers where the object code and Corresponding
+    Source of the work are being offered to the general public at no
+    charge under subsection 6d.
+
+  A separable portion of the object code, whose source code is excluded
+from the Corresponding Source as a System Library, need not be
+included in conveying the object code work.
+
+  A "User Product" is either (1) a "consumer product", which means any
+tangible personal property which is normally used for personal, family,
+or household purposes, or (2) anything designed or sold for incorporation
+into a dwelling.  In determining whether a product is a consumer product,
+doubtful cases shall be resolved in favor of coverage.  For a particular
+product received by a particular user, "normally used" refers to a
+typical or common use of that class of product, regardless of the status
+of the particular user or of the way in which the particular user
+actually uses, or expects or is expected to use, the product.  A product
+is a consumer product regardless of whether the product has substantial
+commercial, industrial or non-consumer uses, unless such uses represent
+the only significant mode of use of the product.
+
+  "Installation Information" for a User Product means any methods,
+procedures, authorization keys, or other information required to install
+and execute modified versions of a covered work in that User Product from
+a modified version of its Corresponding Source.  The information must
+suffice to ensure that the continued functioning of the modified object
+code is in no case prevented or interfered with solely because
+modification has been made.
+
+  If you convey an object code work under this section in, or with, or
+specifically for use in, a User Product, and the conveying occurs as
+part of a transaction in which the right of possession and use of the
+User Product is transferred to the recipient in perpetuity or for a
+fixed term (regardless of how the transaction is characterized), the
+Corresponding Source conveyed under this section must be accompanied
+by the Installation Information.  But this requirement does not apply
+if neither you nor any third party retains the ability to install
+modified object code on the User Product (for example, the work has
+been installed in ROM).
+
+  The requirement to provide Installation Information does not include a
+requirement to continue to provide support service, warranty, or updates
+for a work that has been modified or installed by the recipient, or for
+the User Product in which it has been modified or installed.  Access to a
+network may be denied when the modification itself materially and
+adversely affects the operation of the network or violates the rules and
+protocols for communication across the network.
+
+  Corresponding Source conveyed, and Installation Information provided,
+in accord with this section must be in a format that is publicly
+documented (and with an implementation available to the public in
+source code form), and must require no special password or key for
+unpacking, reading or copying.
+
+  7. Additional Terms.
+
+  "Additional permissions" are terms that supplement the terms of this
+License by making exceptions from one or more of its conditions.
+Additional permissions that are applicable to the entire Program shall
+be treated as though they were included in this License, to the extent
+that they are valid under applicable law.  If additional permissions
+apply only to part of the Program, that part may be used separately
+under those permissions, but the entire Program remains governed by
+this License without regard to the additional permissions.
+
+  When you convey a copy of a covered work, you may at your option
+remove any additional permissions from that copy, or from any part of
+it.  (Additional permissions may be written to require their own
+removal in certain cases when you modify the work.)  You may place
+additional permissions on material, added by you to a covered work,
+for which you have or can give appropriate copyright permission.
+
+  Notwithstanding any other provision of this License, for material you
+add to a covered work, you may (if authorized by the copyright holders of
+that material) supplement the terms of this License with terms:
+
+    a) Disclaiming warranty or limiting liability differently from the
+    terms of sections 15 and 16 of this License; or
+
+    b) Requiring preservation of specified reasonable legal notices or
+    author attributions in that material or in the Appropriate Legal
+    Notices displayed by works containing it; or
+
+    c) Prohibiting misrepresentation of the origin of that material, or
+    requiring that modified versions of such material be marked in
+    reasonable ways as different from the original version; or
+
+    d) Limiting the use for publicity purposes of names of licensors or
+    authors of the material; or
+
+    e) Declining to grant rights under trademark law for use of some
+    trade names, trademarks, or service marks; or
+
+    f) Requiring indemnification of licensors and authors of that
+    material by anyone who conveys the material (or modified versions of
+    it) with contractual assumptions of liability to the recipient, for
+    any liability that these contractual assumptions directly impose on
+    those licensors and authors.
+
+  All other non-permissive additional terms are considered "further
+restrictions" within the meaning of section 10.  If the Program as you
+received it, or any part of it, contains a notice stating that it is
+governed by this License along with a term that is a further
+restriction, you may remove that term.  If a license document contains
+a further restriction but permits relicensing or conveying under this
+License, you may add to a covered work material governed by the terms
+of that license document, provided that the further restriction does
+not survive such relicensing or conveying.
+
+  If you add terms to a covered work in accord with this section, you
+must place, in the relevant source files, a statement of the
+additional terms that apply to those files, or a notice indicating
+where to find the applicable terms.
+
+  Additional terms, permissive or non-permissive, may be stated in the
+form of a separately written license, or stated as exceptions;
+the above requirements apply either way.
+
+  8. Termination.
+
+  You may not propagate or modify a covered work except as expressly
+provided under this License.  Any attempt otherwise to propagate or
+modify it is void, and will automatically terminate your rights under
+this License (including any patent licenses granted under the third
+paragraph of section 11).
+
+  However, if you cease all violation of this License, then your
+license from a particular copyright holder is reinstated (a)
+provisionally, unless and until the copyright holder explicitly and
+finally terminates your license, and (b) permanently, if the copyright
+holder fails to notify you of the violation by some reasonable means
+prior to 60 days after the cessation.
+
+  Moreover, your license from a particular copyright holder is
+reinstated permanently if the copyright holder notifies you of the
+violation by some reasonable means, this is the first time you have
+received notice of violation of this License (for any work) from that
+copyright holder, and you cure the violation prior to 30 days after
+your receipt of the notice.
+
+  Termination of your rights under this section does not terminate the
+licenses of parties who have received copies or rights from you under
+this License.  If your rights have been terminated and not permanently
+reinstated, you do not qualify to receive new licenses for the same
+material under section 10.
+
+  9. Acceptance Not Required for Having Copies.
+
+  You are not required to accept this License in order to receive or
+run a copy of the Program.  Ancillary propagation of a covered work
+occurring solely as a consequence of using peer-to-peer transmission
+to receive a copy likewise does not require acceptance.  However,
+nothing other than this License grants you permission to propagate or
+modify any covered work.  These actions infringe copyright if you do
+not accept this License.  Therefore, by modifying or propagating a
+covered work, you indicate your acceptance of this License to do so.
+
+  10. Automatic Licensing of Downstream Recipients.
+
+  Each time you convey a covered work, the recipient automatically
+receives a license from the original licensors, to run, modify and
+propagate that work, subject to this License.  You are not responsible
+for enforcing compliance by third parties with this License.
+
+  An "entity transaction" is a transaction transferring control of an
+organization, or substantially all assets of one, or subdividing an
+organization, or merging organizations.  If propagation of a covered
+work results from an entity transaction, each party to that
+transaction who receives a copy of the work also receives whatever
+licenses to the work the party's predecessor in interest had or could
+give under the previous paragraph, plus a right to possession of the
+Corresponding Source of the work from the predecessor in interest, if
+the predecessor has it or can get it with reasonable efforts.
+
+  You may not impose any further restrictions on the exercise of the
+rights granted or affirmed under this License.  For example, you may
+not impose a license fee, royalty, or other charge for exercise of
+rights granted under this License, and you may not initiate litigation
+(including a cross-claim or counterclaim in a lawsuit) alleging that
+any patent claim is infringed by making, using, selling, offering for
+sale, or importing the Program or any portion of it.
+
+  11. Patents.
+
+  A "contributor" is a copyright holder who authorizes use under this
+License of the Program or a work on which the Program is based.  The
+work thus licensed is called the contributor's "contributor version".
+
+  A contributor's "essential patent claims" are all patent claims
+owned or controlled by the contributor, whether already acquired or
+hereafter acquired, that would be infringed by some manner, permitted
+by this License, of making, using, or selling its contributor version,
+but do not include claims that would be infringed only as a
+consequence of further modification of the contributor version.  For
+purposes of this definition, "control" includes the right to grant
+patent sublicenses in a manner consistent with the requirements of
+this License.
+
+  Each contributor grants you a non-exclusive, worldwide, royalty-free
+patent license under the contributor's essential patent claims, to
+make, use, sell, offer for sale, import and otherwise run, modify and
+propagate the contents of its contributor version.
+
+  In the following three paragraphs, a "patent license" is any express
+agreement or commitment, however denominated, not to enforce a patent
+(such as an express permission to practice a patent or covenant not to
+sue for patent infringement).  To "grant" such a patent license to a
+party means to make such an agreement or commitment not to enforce a
+patent against the party.
+
+  If you convey a covered work, knowingly relying on a patent license,
+and the Corresponding Source of the work is not available for anyone
+to copy, free of charge and under the terms of this License, through a
+publicly available network server or other readily accessible means,
+then you must either (1) cause the Corresponding Source to be so
+available, or (2) arrange to deprive yourself of the benefit of the
+patent license for this particular work, or (3) arrange, in a manner
+consistent with the requirements of this License, to extend the patent
+license to downstream recipients.  "Knowingly relying" means you have
+actual knowledge that, but for the patent license, your conveying the
+covered work in a country, or your recipient's use of the covered work
+in a country, would infringe one or more identifiable patents in that
+country that you have reason to believe are valid.
+
+  If, pursuant to or in connection with a single transaction or
+arrangement, you convey, or propagate by procuring conveyance of, a
+covered work, and grant a patent license to some of the parties
+receiving the covered work authorizing them to use, propagate, modify
+or convey a specific copy of the covered work, then the patent license
+you grant is automatically extended to all recipients of the covered
+work and works based on it.
+
+  A patent license is "discriminatory" if it does not include within
+the scope of its coverage, prohibits the exercise of, or is
+conditioned on the non-exercise of one or more of the rights that are
+specifically granted under this License.  You may not convey a covered
+work if you are a party to an arrangement with a third party that is
+in the business of distributing software, under which you make payment
+to the third party based on the extent of your activity of conveying
+the work, and under which the third party grants, to any of the
+parties who would receive the covered work from you, a discriminatory
+patent license (a) in connection with copies of the covered work
+conveyed by you (or copies made from those copies), or (b) primarily
+for and in connection with specific products or compilations that
+contain the covered work, unless you entered into that arrangement,
+or that patent license was granted, prior to 28 March 2007.
+
+  Nothing in this License shall be construed as excluding or limiting
+any implied license or other defenses to infringement that may
+otherwise be available to you under applicable patent law.
+
+  12. No Surrender of Others' Freedom.
+
+  If conditions are imposed on you (whether by court order, agreement or
+otherwise) that contradict the conditions of this License, they do not
+excuse you from the conditions of this License.  If you cannot convey a
+covered work so as to satisfy simultaneously your obligations under this
+License and any other pertinent obligations, then as a consequence you may
+not convey it at all.  For example, if you agree to terms that obligate you
+to collect a royalty for further conveying from those to whom you convey
+the Program, the only way you could satisfy both those terms and this
+License would be to refrain entirely from conveying the Program.
+
+  13. Use with the GNU Affero General Public License.
+
+  Notwithstanding any other provision of this License, you have
+permission to link or combine any covered work with a work licensed
+under version 3 of the GNU Affero General Public License into a single
+combined work, and to convey the resulting work.  The terms of this
+License will continue to apply to the part which is the covered work,
+but the special requirements of the GNU Affero General Public License,
+section 13, concerning interaction through a network will apply to the
+combination as such.
+
+  14. Revised Versions of this License.
+
+  The Free Software Foundation may publish revised and/or new versions of
+the GNU General Public License from time to time.  Such new versions will
+be similar in spirit to the present version, but may differ in detail to
+address new problems or concerns.
+
+  Each version is given a distinguishing version number.  If the
+Program specifies that a certain numbered version of the GNU General
+Public License "or any later version" applies to it, you have the
+option of following the terms and conditions either of that numbered
+version or of any later version published by the Free Software
+Foundation.  If the Program does not specify a version number of the
+GNU General Public License, you may choose any version ever published
+by the Free Software Foundation.
+
+  If the Program specifies that a proxy can decide which future
+versions of the GNU General Public License can be used, that proxy's
+public statement of acceptance of a version permanently authorizes you
+to choose that version for the Program.
+
+  Later license versions may give you additional or different
+permissions.  However, no additional obligations are imposed on any
+author or copyright holder as a result of your choosing to follow a
+later version.
+
+  15. Disclaimer of Warranty.
+
+  THERE IS NO WARRANTY FOR THE PROGRAM, TO THE EXTENT PERMITTED BY
+APPLICABLE LAW.  EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT
+HOLDERS AND/OR OTHER PARTIES PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY
+OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO,
+THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+PURPOSE.  THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM
+IS WITH YOU.  SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF
+ALL NECESSARY SERVICING, REPAIR OR CORRECTION.
+
+  16. Limitation of Liability.
+
+  IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING
+WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MODIFIES AND/OR CONVEYS
+THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY
+GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE
+USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF
+DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD
+PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS),
+EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF
+SUCH DAMAGES.
+
+  17. Interpretation of Sections 15 and 16.
+
+  If the disclaimer of warranty and limitation of liability provided
+above cannot be given local legal effect according to their terms,
+reviewing courts shall apply local law that most closely approximates
+an absolute waiver of all civil liability in connection with the
+Program, unless a warranty or assumption of liability accompanies a
+copy of the Program in return for a fee.
+
+                     END OF TERMS AND CONDITIONS
+
+            How to Apply These Terms to Your New Programs
+
+  If you develop a new program, and you want it to be of the greatest
+possible use to the public, the best way to achieve this is to make it
+free software which everyone can redistribute and change under these terms.
+
+  To do so, attach the following notices to the program.  It is safest
+to attach them to the start of each source file to most effectively
+state the exclusion of warranty; and each file should have at least
+the "copyright" line and a pointer to where the full notice is found.
+
+    <one line to give the program's name and a brief idea of what it does.>
+    Copyright (C) <year>  <name of author>
+
+    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/>.
+
+Also add information on how to contact you by electronic and paper mail.
+
+  If the program does terminal interaction, make it output a short
+notice like this when it starts in an interactive mode:
+
+    <program>  Copyright (C) <year>  <name of author>
+    This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
+    This is free software, and you are welcome to redistribute it
+    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

@@ -1,80 +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 2012-2015 DCS Computing GmbH, Linz
-                                Copyright 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, 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 the 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 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)" 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=e4b6af30d3aa7aee109d206116f01600bf9ee9c6)](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

@@ -14,7 +14,8 @@ EXE_INC = \
     -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 \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\

applications/solvers/cfdemSolverMultiphase/Make/options

@@ -1,6 +1,10 @@
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+
 include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
 
 EXE_INC = \
+     $(PFLAGS) \
     -I$(CFDEM_OFVERSION_DIR) \
     -ImultiphaseMixture/lnInclude \
     -I$(LIB_SRC)/transportModels \
@@ -13,6 +17,7 @@ EXE_INC = \
     -I$(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)\

applications/solvers/cfdemSolverMultiphase/cfdemSolverMultiphase.C

@@ -46,6 +46,11 @@ Description
 
 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"

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/Make/options

@@ -1,10 +1,15 @@
+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
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -Wno-deprecated-copy
 
 LIB_LIBS = \
     -linterfaceProperties \

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/multiphaseMixture.C

@@ -55,14 +55,21 @@ 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)
     {
-        nu += iter()*iter().nu();
+        nuInv += iter()/iter().nu();
     }
 
+    nu = 1/nuInv;
+    
     return tnu;
 }
 
@@ -679,8 +686,13 @@ void Foam::multiphaseMixture::solveAlphas
             alphaPhiCorr,
             zeroField(),
             zeroField(),
+#if OPENFOAM_VERSION_MAJOR < 6
             1,
             0,
+#else
+            oneField(),
+            zeroField(),
+#endif
             true
         );
 

applications/solvers/cfdemSolverMultiphaseScalar/Allwclean

@@ -0,0 +1,8 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+set -x
+
+wclean libso multiphaseMixture
+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 multiphaseMixture
+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 +1,35 @@
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+     $(PFLAGS) \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -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$(CFDEM_LIB_DIR)\
+    -lcfdemMultiphaseInterFoamScalar \
+    -linterfaceProperties \
+    -lincompressibleTransportModels \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lfiniteVolume \
+    -lfvOptions \
+    -lmeshTools \
+    -lsampling \
+    -l$(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

@@ -14,25 +14,27 @@ License
     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
+    Copyright (C) 2018- Mathias Vångö, JKU Linz, Austria
 
 Application
-    cfdemSolverRhoSimple
+    cfdemSolverMultiphaseScalar
 
 Description
-    Steady-state solver for turbulent flow of compressible fluids based on
-    rhoSimpleFoam where functionality for CFD-DEM coupling has been added.
+    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 "psiThermo.H"
-#include "turbulentFluidThermoModel.H"
-#include "bound.H"
-#include "simpleControl.H"
+#include "multiphaseMixture.H"
+#include "turbulentTransportModel.H"
+#include "pimpleControl.H"
 #include "fvOptions.H"
-#include "localEulerDdtScheme.H"
-#include "fvcSmooth.H"
+#include "CorrectPhi.H"
 
 #include "cfdemCloudEnergy.H"
 #include "implicitCouple.H"
@@ -40,44 +42,50 @@ Description
 #include "smoothingModel.H"
 #include "forceModel.H"
 #include "thermCondModel.H"
+#include "diffCoeffModel.H"
 #include "energyModel.H"
+#include "massTransferModel.H"
 
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 int main(int argc, char *argv[])
 {
-    #include "postProcess.H"
+#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 "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"
+    #include "correctPhi.H"
+    #include "CourantNo.H"
 
     turbulence->validate();
 
+    // create cfdemCloud
+    cfdemCloudEnergy particleCloud(mesh);
+
+    #include "additionalChecks.H"
+
     // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
     Info<< "\nStarting time loop\n" << endl;
 
-    while (simple.loop())
+    while (runTime.loop())
     {
+        #include "CourantNo.H"
+        #include "alphaCourantNo.H"
+
         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);
 
@@ -90,39 +98,55 @@ int main(int argc, char *argv[])
         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;
+       //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");
 
-        volScalarField rhoeps("rhoeps",rho*voidfraction);
-        // Pressure-velocity SIMPLE corrector
+        if(particleCloud.solveFlow())
+        {
+            mixture.solve();
+            rho = mixture.rho();
+            rhoEps = rho * voidfraction;
 
-        #include "UEqn.H"
+            #include "EEqn.H"
+            #include "CEqn.H"
 
+             // --- Pressure-velocity PIMPLE corrector loop
+            while (pimple.loop())
+            {
+                #include "UEqn.H"
 
-        // besides this pEqn, OF offers a "simple consistent"-option
-        #include "pEqn.H"
-        rhoeps=rho*voidfraction;
+                // --- Pressure corrector loop
+                while (pimple.correct())
+                {
+                    #include "pEqn.H"
+                }
 
-        #include "EEqn.H"
+                if (pimple.turbCorr())
+                {
+                    turbulence->correct();
+                }
+            }
+        }
+        else
+        {
+            Info << "skipping flow solution." << endl;
+        }
 
-        turbulence->correct();
-
-        particleCloud.clockM().start(32,"postFlow");
-        if(hasEvolved) particleCloud.postFlow();
+        particleCloud.clockM().start(31,"postFlow");
+        particleCloud.postFlow();
         particleCloud.clockM().stop("postFlow");
 
         runTime.write();
 
-
         Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
             << nl << endl;

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()
+ );
+
+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();
+
+//========================
+// 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/multiphaseMixture/Make/files

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

applications/solvers/cfdemSolverMultiphaseScalar/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/cfdemSolverMultiphaseScalar/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/cfdemSolverMultiphaseScalar/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/cfdemSolverMultiphaseScalar/multiphaseMixture/multiphaseMixture.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 "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
+{
+    Info << "In multiphasemixture 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::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;
+}
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::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::multiphaseMixture::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::multiphaseMixture::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::multiphaseMixture::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::multiphaseMixture::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::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/cfdemSolverMultiphaseScalar/multiphaseMixture/multiphaseMixture.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
+    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;
+
+        //- 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/multiphaseMixture/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/multiphaseMixture/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 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_;
+        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/cfdemSolverPiso/Make/options

@@ -10,6 +10,7 @@ EXE_INC = \
     -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)\

applications/solvers/cfdemSolverPiso/UEqn.H

@@ -1,8 +1,11 @@
+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)

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
     (

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 $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -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$(LIB_SRC)/sampling/lnInclude
+
+EXE_LIBS = \
+    -L$(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

@@ -11,6 +11,7 @@ EXE_INC = \
     -I$(LIB_SRC)/transportModels \
     -I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\

applications/solvers/cfdemSolverPisoScalar/Make/options

@@ -11,6 +11,7 @@ EXE_INC = \
     -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)\

applications/solvers/cfdemSolverPisoScalar/createFields.H

@@ -46,6 +46,21 @@
         //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
     (

applications/solvers/cfdemSolverRhoPimple/EEqn.H

@@ -6,10 +6,18 @@
     particleCloud.energyContributions(Qsource);
     particleCloud.energyCoefficients(QCoeff);
 
-    //thDiff=particleCloud.thermCondM().thermDiff();
-    thCond=particleCloud.thermCondM().thermCond();
+    Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
 
-    addSource = fvc::ddt(rhoeps, K) + fvc::div(phi, K)
+// 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
@@ -19,26 +27,14 @@
                 "div(phiv,p)"
             )
           : -dpdt
-        );
-
-    Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
-
-    // correct source for the thermodynamic reference temperature
-    dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL));
-    Qsource += QCoeff*Tref;
-
-    fvScalarMatrix EEqn
-    (
-        fvm::ddt(rhoeps, he) + fvm::div(phi, he)
-      + addSource
-     // net heat transfer from particles to fluid
+        )
       - Qsource
+      - QCoeff*T
       - fvm::Sp(QCoeff/Cpv, he)
-     // thermal conduction of the fluid with effective conductivity
-     // - fvm::laplacian(rhoeps*thDiff,he)
+      + QCoeff/Cpv*he
+      - fvc::laplacian(voidfraction*thCond,T)
       - fvm::laplacian(voidfraction*thCond/Cpv,he)
-      // + particle-fluid energy transfer due to work
-      // + fluid energy dissipation due to shearing
+      + fvc::laplacian(voidfraction*thCond/Cpv,he)
      ==
         fvOptions(rho, he)
     );
@@ -54,7 +50,7 @@
 
     thermo.correct();
 
-    Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl;
+    Info<< "T max/min/ave : " << max(T).value() << " " << min(T).value() << " " << average(T).value() << endl;
 
     particleCloud.clockM().start(31,"energySolve");
     particleCloud.solve();

applications/solvers/cfdemSolverRhoPimple/Make/options

@@ -1,5 +1,7 @@
 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 = \
@@ -15,6 +17,7 @@ EXE_INC = \
     -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)\

applications/solvers/cfdemSolverRhoPimple/cfdemSolverRhoPimple.C

@@ -32,6 +32,9 @@ Description
 #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"
@@ -69,16 +72,19 @@ int main(int argc, char *argv[])
     #include "checkModelType.H"
 
     turbulence->validate();
-    //#include "compressibleCourantNo.H"
-    //#include "setInitialDeltaT.H"
+
+    #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"
 
@@ -90,9 +96,10 @@ int main(int argc, char *argv[])
 
         // do particle stuff
         particleCloud.clockM().start(2,"Coupling");
+
         bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
 
-        if(hasEvolved)
+        if(hasEvolved && smoothenForces)
         {
             particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
         }
@@ -109,19 +116,35 @@ int main(int argc, char *argv[])
         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
 
-        volScalarField rhoeps("rhoeps",rho*voidfraction);
         // --- 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"
 
@@ -130,7 +153,6 @@ int main(int argc, char *argv[])
             {
                 // besides this pEqn, OF offers a "pimple consistent"-option
                 #include "pEqn.H"
-                rhoeps=rho*voidfraction;
             }
 
             if (pimple.turbCorr())
@@ -145,7 +167,6 @@ int main(int argc, char *argv[])
 
         runTime.write();
 
-
         Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
             << nl << endl;

applications/solvers/cfdemSolverRhoPimple/createFields.H

@@ -51,19 +51,49 @@ Info<< "Reading thermophysical properties\n" << endl;
         mesh
     );
 
-    volScalarField addSource
+    volScalarField rhoeps("rhoeps", rho*voidfraction);
+    rhoeps.oldTime(); // switch on saving old time
+
+    Info<< "Reading/calculating face flux field phi\n" << endl;
+    surfaceScalarField phi
     (
         IOobject
         (
-           "addSource",
-           runTime.timeName(),
-           mesh,
-           IOobject::MUST_READ,
-           IOobject::AUTO_WRITE
-        ),
-        mesh
+            "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
     (
@@ -94,21 +124,6 @@ Info<< "Reading thermophysical properties\n" << endl;
         dimensionedScalar("zero", dimensionSet(1,-1,-3,-1,0,0,0), 0.0)
     );
 
-  /*  Info<< "\nCreating thermal diffusivity field\n" << endl;
-    volScalarField thDiff
-    (
-        IOobject
-        (
-            "thDiff",
-            runTime.timeName(),
-            mesh,
-            IOobject::NO_READ,
-            IOobject::AUTO_WRITE
-        ),
-        mesh,
-        dimensionedScalar("zero", dimensionSet(0,2,-1,0,0,0,0), 0.0)
-    );
-  */
     Info<< "\nCreating thermal conductivity field\n" << endl;
     volScalarField thCond
     (
@@ -117,11 +132,12 @@ Info<< "Reading thermophysical properties\n" << endl;
             "thCond",
             runTime.timeName(),
             mesh,
-            IOobject::NO_READ,
+            IOobject::READ_IF_PRESENT,
             IOobject::AUTO_WRITE
         ),
         mesh,
-        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0)
+        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0),
+        "zeroGradient"
     );
 
     Info<< "\nCreating heat capacity field\n" << endl;
@@ -154,41 +170,16 @@ Info<< "Reading thermophysical properties\n" << endl;
         dimensionedVector("zero", dimensionSet(1,-2,-2,0,0,0,0), vector::zero)
     );
 
-    Info<< "Reading/calculating face flux field phi\n" << endl;
-    surfaceScalarField phi
+    bool smoothenForces
     (
-        IOobject
+        pimple.dict().lookupOrDefault<bool>
         (
-            "phi",
-            runTime.timeName(),
-            mesh,
-            IOobject::READ_IF_PRESENT,
-            IOobject::AUTO_WRITE
-         ),
-         linearInterpolate(rho*U*voidfraction) & mesh.Sf()
-    );
-
-    dimensionedScalar rhoMax
-    (
-        dimensionedScalar::lookupOrDefault
-        (
-            "rhoMax",
-            pimple.dict(),
-            dimDensity,
-            GREAT
-        )
-    );
-
-    dimensionedScalar rhoMin
-    (
-        dimensionedScalar::lookupOrDefault
-        (
-            "rhoMin",
-            pimple.dict(),
-            dimDensity,
-            0
+            "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

applications/solvers/cfdemSolverRhoPimple/pEqn.H

@@ -1,14 +1,19 @@
 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", fvc::interpolate(rhoeps*rAU));
-if (modelType=="A")
-{
-    rhorAUf *= fvc::interpolate(voidfraction);
-}
+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());
@@ -18,30 +23,40 @@ 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
 {
-    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);
 
+#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)
@@ -50,6 +65,9 @@ else
           ==
             fvOptions(psi, p, rho.name())
         );
+#else
+        fvScalarMatrix pEqn(pDDtEqn - fvm::laplacian(rhorAUf, p));
+#endif
 
         pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
 
@@ -60,19 +78,18 @@ else
     }
 }
 
+// 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();
-
-// Recalculate density from the relaxed pressure
-rho = thermo.rho();
-rho = max(rho, rhoMin);
-rho = min(rho, rhoMax);
-rho.relax();
-Info<< "rho max/min : " << max(rho).value()
-    << " " << min(rho).value() << endl;
+Info<< "p max/min/ave : " << max(p).value()
+    << " " << min(p).value() << " " << average(p).value() << endl;
 
 if (modelType=="A")
 {
@@ -86,6 +103,24 @@ 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/EEqn.H

@@ -6,12 +6,13 @@ volScalarField& he = thermo.he();
 particleCloud.energyContributions(Qsource);
 particleCloud.energyCoefficients(QCoeff);
 
-thCond=particleCloud.thermCondM().thermCond();
 Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
 
-// correct source for the thermodynamic reference temperature
-dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL));
-Qsource += QCoeff*Tref;
+// 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
 (
@@ -27,13 +28,13 @@ fvScalarMatrix EEqn
            )
           : -dpdt
        )
-    // net heat transfer from particles to fluid
       - Qsource
+      - QCoeff*T
       - fvm::Sp(QCoeff/Cpv, he)
-    // thermal conduction of the fluid with effective conductivity
+      + QCoeff/Cpv*he
+      - fvc::laplacian(voidfraction*thCond,T)
       - fvm::laplacian(voidfraction*thCond/Cpv,he)
-    // + particle-fluid energy transfer due to work
-    // + fluid energy dissipation due to shearing
+      + fvc::laplacian(voidfraction*thCond/Cpv,he)
      ==
 //      + combustion->Sh()
        fvOptions(rho, he)
@@ -49,7 +50,13 @@ fvScalarMatrix EEqn
 
     thermo.correct();
 
-    Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl;
-    Info << "he min/max : " << max(he).value() << "  " << min(he).value() << endl;
+    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 : " << max(T).value() << " " << min(T).value() << endl;
+    Info << "he max/min : " << max(he).value() << "  " << min(he).value() << endl;
 
+    particleCloud.clockM().start(31,"energySolve");
+    particleCloud.solve();
+    particleCloud.clockM().stop("energySolve");
 }

applications/solvers/cfdemSolverRhoPimpleChem/Make/options

@@ -1,10 +1,11 @@
 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 = \
      $(PFLAGS) \
-    -I../. \
     -I$(CFDEM_OFVERSION_DIR) \
     -I$(LIB_SRC)/finiteVolume/cfdTools \
     -I$(LIB_SRC)/finiteVolume/lnInclude \
@@ -19,19 +20,13 @@ EXE_INC = \
     -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
     -I$(LIB_SRC)/transportModels/compressible/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/radiationModels/lnInclude \
     -I$(LIB_SRC)/regionModels/regionModel/lnInclude \
     -I$(LIB_SRC)/regionModels/surfaceFilmModels/lnInclude \
     -I$(LIB_SRC)/ODE/lnInclude \
     -I$(LIB_SRC)/combustionModels/lnInclude \
-    -I$(FOAM_SOLVERS)/combustion/reactingFoam \
-
-
+    -Wno-deprecated-copy
 
 
 EXE_LIBS = \
@@ -48,9 +43,6 @@ EXE_LIBS = \
     -l$(CFDEM_LIB_COMP_NAME) \
      $(CFDEM_ADD_LIB_PATHS) \
      $(CFDEM_ADD_LIBS) \
-    -lliquidProperties \
-    -lliquidMixtureProperties \
-    -lthermophysicalFunctions \
     -lreactionThermophysicalModels \
     -lchemistryModel \
     -lradiationModels \

applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H

@@ -13,7 +13,11 @@ tmp<fv::convectionScheme<scalar> > mvConvection
 
 {
     combustion->correct();
+#if OPENFOAM_VERSION_MAJOR < 5
     dQ = combustion->dQ();
+#else
+    Qdot = combustion->Qdot();
+#endif
     label inertIndex = -1;
     volScalarField Yt(0.0*Y[0]);
 
@@ -72,4 +76,5 @@ tmp<fv::convectionScheme<scalar> > mvConvection
         Y[inertIndex].max(0.0);
     }
 }
+
 particleCloud.clockM().stop("Y");

applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C

@@ -30,7 +30,12 @@ Description
 
 #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"
 #include "fvOptions.H"
@@ -52,7 +57,8 @@ Description
 
 int main(int argc, char *argv[])
 {
-//    #include "postProcess.H"
+    #include "postProcess.H"
+
     #include "setRootCase.H"
     #include "createTime.H"
     #include "createMesh.H"
@@ -60,10 +66,10 @@ int main(int argc, char *argv[])
     #include "createTimeControls.H"
     #include "createRDeltaT.H"
 
+    #include "initContinuityErrs.H"
     #include "createFields.H"
     #include "createFieldRefs.H"
     #include "createFvOptions.H"
-    #include "initContinuityErrs.H"
 
     // create cfdemCloud
     #include "readGravitationalAcceleration.H"
@@ -117,7 +123,11 @@ int main(int argc, char *argv[])
 
        particleCloud.clockM().start(26,"Flow");
 
+#if OPENFOAM_VERSION_MAJOR < 6
         if (pimple.nCorrPIMPLE() <= 1)
+#else
+        if (pimple.nCorrPimple() <= 1)
+#endif
         {
             #include "rhoEqn.H"
         }

applications/solvers/cfdemSolverRhoPimpleChem/createFields.H

@@ -1,23 +1,30 @@
     //  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
 
-    bool propagateInertSpecie = true;
+    Switch propagateInertSpecie(true);
 
     const word inertSpecie(thermo.lookup("inertSpecie"));
 
@@ -33,6 +40,8 @@
             << exit(FatalError);
     }
 
+    Info<< "inert will be bounded in [" << inertLowerBound << "," << inertUpperBound << "]" << endl;
+
     volScalarField& p = thermo.p();
 
     multivariateSurfaceInterpolationScheme<scalar>::fieldTable fields;
@@ -57,9 +66,6 @@
     );
 
     //  kinematic fields
-
-
-
     Info<< "Reading field U\n" << endl;
     volVectorField U
     (
@@ -88,18 +94,8 @@
         mesh
     );
 
-    volScalarField rhoeps
-    (
-        IOobject
-        (
-            "rhoeps",
-            runTime.timeName(),
-            mesh,
-            IOobject::MUST_READ,
-            IOobject::AUTO_WRITE
-        ),
-        rho*voidfraction
-    );
+    volScalarField rhoeps ("rhoeps", rho*voidfraction);
+
 
     Info<< "\nCreating fluid-particle heat flux field\n" << endl;
     volScalarField Qsource
@@ -139,11 +135,12 @@
             "thCond",
             runTime.timeName(),
             mesh,
-            IOobject::NO_READ,
+            IOobject::READ_IF_PRESENT,
             IOobject::AUTO_WRITE
         ),
         mesh,
-        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0)
+        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0),
+        "zeroGradient"
     );
 
     Info<< "\nCreating heat capacity field\n" << endl;
@@ -209,6 +206,14 @@
         )
     );
 
+#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
     (
@@ -225,6 +230,7 @@
     Info<< "Creating field kinetic energy K\n" << endl;
     volScalarField K("K", 0.5*magSqr(U));
 
+#if OPENFOAM_VERSION_MAJOR < 5
     volScalarField dQ
     (
         IOobject
@@ -238,6 +244,21 @@
         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
@@ -282,9 +303,18 @@
         mesh,
         dimensionedScalar("zero",dimensionSet(0, -3, 0, 0, 1),0)
     );
+
+    volScalarField dSauter
+    (
+        IOobject
+        (
+            "dSauter",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero",dimensionSet(0, 1, 0, 0, 0,0,0),0)
+    );
 //===============================
-
-
-
- //   singlePhaseTransportModel laminarTransport(U, phi);
-

applications/solvers/cfdemSolverRhoSimple/Make/files

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

applications/solvers/rStatAnalysis/Make/files

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

applications/solvers/rStatAnalysis/Make/options

@@ -0,0 +1,27 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -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 \
+    -I$(CFDEM_SRC_DIR)/recurrence/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/derived/cfdemCloudRec \
+    -Wno-deprecated-copy
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lrecurrence \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/rStatAnalysis/rStatAnalysis.C

@@ -0,0 +1,62 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling academic - Open Source CFD-DEM coupling
+
+    Contributing authors:
+    Thomas Lichtenegger
+    Copyright (C) 2015- Johannes Kepler University, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling academic.
+
+    CFDEMcoupling academic 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 academic 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 academic.  If not, see <http://www.gnu.org/licenses/>.
+
+Application
+    rStatAnalysis
+
+Description
+    Creates and analyzes a recurrence statistics
+
+\*---------------------------------------------------------------------------*/
+
+#include "recBase.H"
+#include "recStatAnalysis.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "postProcess.H"
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+
+
+    recBase recurrenceBase(mesh);
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info << "\nAnalyzing recurrence statistics\n" << endl;
+
+    recurrenceBase.recStatA().init();
+    recurrenceBase.recStatA().statistics();
+
+    Info << "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/rcfdemSolverBase/Make/files

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

applications/solvers/rcfdemSolverBase/Make/options

@@ -0,0 +1,28 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -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 \
+    -I$(CFDEM_SRC_DIR)/recurrence/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/derived/cfdemCloudRec \
+    -Wno-deprecated-copy
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lrecurrence \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lfvOptions \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+$(CFDEM_ADD_LIBS)

applications/solvers/rcfdemSolverBase/createFields.H

@@ -0,0 +1,193 @@
+    // dummy fields
+    Info << "\nCreating dummy pressure and density fields\n" << endl;
+    volScalarField p
+    (
+        IOobject
+        (
+            "p",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("p", dimensionSet(1, 2, -2, 0, 0), 1.0)
+    );
+
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("rho", dimensionSet(1, -3, 0, 0, 0), 1.0)
+    );
+
+    // recurrence fields
+    Info << "\nCreating recurrence fields.\n" << endl;
+    volVectorField URec
+    (
+        IOobject
+        (
+            "URec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedVector("URec", dimensionSet(0, 1, -1, 0, 0), vector::zero)
+    );
+
+    Switch updateURec(false);
+    if (URec.headerOk())
+    {
+        updateURec = true;
+        URec.writeOpt() = IOobject::AUTO_WRITE;
+    }
+
+    volScalarField voidfractionRec
+    (
+        IOobject
+        (
+            "voidfractionRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("voidfractionRec", dimensionSet(0, 0, 0, 0, 0), 1.0)
+    );
+
+    Switch updateVoidfractionRec(false);
+    if (voidfractionRec.headerOk())
+    {
+        updateVoidfractionRec = true;
+        voidfractionRec.writeOpt() = IOobject::AUTO_WRITE;
+    }
+
+    volVectorField UsRec
+    (
+        IOobject
+        (
+            "UsRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedVector("URec", dimensionSet(0, 1, -1, 0, 0), vector::zero)
+    );
+
+    Switch updateUsRec(false);
+    if (UsRec.headerOk())
+    {
+        updateUsRec = true;
+        UsRec.writeOpt() = IOobject::AUTO_WRITE;
+    }
+
+    // calculated fields
+    Info << "\nCreating fields subject to calculation\n" << endl;
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        voidfractionRec
+    );
+
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        UsRec
+    );
+
+    // write fields for t=t_start
+    voidfraction.write();
+    Us.write();
+//===============================
+
+    Info << "Calculating face flux field phi\n" << endl;
+    surfaceScalarField phiRec
+    (
+        IOobject
+        (
+            "phiRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::NO_WRITE
+        ),
+        linearInterpolate(URec*voidfractionRec) & mesh.Sf()
+    );
+
+    Switch updatePhiRec(false);
+    if (phiRec.headerOk())
+    {
+        updatePhiRec = true;
+        phiRec.writeOpt() = IOobject::AUTO_WRITE;
+        phiRec.write();
+    }
+
+    singlePhaseTransportModel laminarTransport(URec, phiRec);
+
+    autoPtr<incompressible::turbulenceModel> turbulence
+    (
+        incompressible::turbulenceModel::New(URec, phiRec, laminarTransport)
+    );
+
+    IOdictionary recDict
+    (
+        IOobject
+        (
+            "recProperties",
+            runTime.constant(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::NO_WRITE
+        )
+    );
+
+    word voidfractionFieldName(recDict.lookupOrDefault<word>("voidfractionFieldName","voidfraction"));
+    word UFieldName(recDict.lookupOrDefault<word>("UFieldName","U"));
+    word UsFieldName(recDict.lookupOrDefault<word>("UsFieldName","Us"));
+    word fluxFieldName(recDict.lookupOrDefault<word>("fluxFieldName","phi"));
+
+
+   // place to put weight functions
+    IOdictionary weightDict
+    (
+        IOobject
+        (
+            "weightDict",
+            runTime.constant(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::NO_WRITE
+        )
+    );
+    if (!weightDict.headerOk())
+    {
+        weightDict.add("weights",scalarList(1,1.0));
+    }
+    scalarList weights(weightDict.lookup("weights"));
+    Info << "database initial weights: " << weights << endl;

applications/solvers/rcfdemSolverBase/rcfdemSolverBase.C

@@ -0,0 +1,119 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling academic - Open Source CFD-DEM coupling
+
+    Contributing authors:
+    Thomas Lichtenegger, Gerhard Holzinger
+    Copyright (C) 2015- Johannes Kepler University, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling academic.
+
+    CFDEMcoupling academic 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 academic 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 academic.  If not, see <http://www.gnu.org/licenses/>.
+
+Application
+    cfdemSolverRecurrence
+
+Description
+    Solves a transport equation for a passive scalar on a two-phase solution
+    Test-bed for a solver based on recurrence statistics
+
+Rules
+    Solution data to compute the recurrence statistics from, needs to
+        reside in $CASE_ROOT/dataBase
+    Time step data in dataBase needs to be evenly spaced in time
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "singlePhaseTransportModel.H"
+#include "turbulentTransportModel.H"
+#include "fvOptions.H"
+
+#include "cfdemCloudRec.H"
+#include "recBase.H"
+#include "recModel.H"
+#include "recPath.H"
+
+#include "cfdemCloud.H"
+#include "clockModel.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 "readGravitationalAcceleration.H"
+
+    cfdemCloudRec<cfdemCloud> particleCloud(mesh);
+    recBase recurrenceBase(mesh);
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info << "\nCalculating particle trajectories based on recurrence statistics\n" << endl;
+
+    label recTimeIndex = 0;
+    label stepCounter = 0;
+    label recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+
+    while (runTime.run())
+    {
+        runTime++;
+
+        // do stuff (every lagrangian time step)
+        particleCloud.clockM().start(1,"Global");
+
+        Info << "Time = " << runTime.timeName() << nl << endl;
+
+        particleCloud.clockM().start(2,"Coupling");
+
+        particleCloud.evolve(voidfraction,Us,URec);
+
+        particleCloud.clockM().stop("Coupling");
+
+        stepCounter++;
+
+        if (stepCounter == recTimeStep2CFDTimeStep)
+        {
+            Info << "updating recurrence fields at time " << runTime.timeName() << "with recTimeIndex = " << recTimeIndex << nl << endl;
+            recurrenceBase.updateRecFields();
+            #include "updateFields.H"
+            recTimeIndex++;
+            stepCounter = 0;
+            recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+        }
+
+        particleCloud.clockM().start(27,"Output");
+        runTime.write();
+        particleCloud.clockM().stop("Output");
+
+        particleCloud.clockM().stop("Global");
+
+        Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+             << nl << endl;
+    }
+
+    Info << "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/rcfdemSolverBase/updateFields.H

@@ -0,0 +1,29 @@
+scalarList wList(weightDict.lookupOrDefault("weights",scalarList(1,1.0)));
+
+recurrenceBase.recP().updateIntervalWeights(wList);
+
+if(recurrenceBase.recM().endOfPath())
+{
+    recurrenceBase.extendPath();
+}
+
+// update fields where necessary
+if (updateVoidfractionRec)
+{
+    recurrenceBase.recM().exportVolScalarField(voidfractionFieldName,voidfractionRec);
+}
+
+if (updateURec)
+{
+    recurrenceBase.recM().exportVolVectorField(UFieldName,URec);
+}
+
+if (updateUsRec)
+{
+    recurrenceBase.recM().exportVolVectorField(UsFieldName,UsRec);
+}
+
+if (updatePhiRec)
+{
+    recurrenceBase.recM().exportSurfaceScalarField(fluxFieldName,phiRec);
+}

applications/solvers/rcfdemSolverCoupledHeattransfer/Make/files

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

applications/solvers/rcfdemSolverCoupledHeattransfer/Make/options

@@ -0,0 +1,28 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -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 \
+    -I$(CFDEM_SRC_DIR)/recurrence/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/derived/cfdemCloudRec \
+    -Wno-deprecated-copy
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lrecurrence \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lfvOptions \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+$(CFDEM_ADD_LIBS)

applications/solvers/rcfdemSolverCoupledHeattransfer/TEqImp.H

@@ -0,0 +1,36 @@
+    volScalarField rhoeps = rhoRec*voidfractionRec;
+
+    particleCloud.energyContributions(Qsource);
+
+    particleCloud.energyCoefficients(QCoeff);
+
+    //K = 0.5*magSqr(URec);
+
+    addSource = fvc::div(phiRec/fvc::interpolate(rhoRec), pRec);
+    // main contribution due to gas expansion, not due to transport of kinetic energy
+    // fvc::ddt(rhoeps, K) + fvc::div(phiRec, K)
+
+    // assuming constant Cv such that e = Cv * T
+    fvScalarMatrix TEqn =
+    (
+        fvm::ddt(rhoeps, T)
+        + fvm::div(phiRec, T)
+        + addSource/Cv
+        - fvm::laplacian(voidfractionRec*thCond/Cv, T)
+        - Qsource/Cv
+        - fvm::Sp(QCoeff/Cv, T)
+        ==
+        fvOptions(rhoeps, T)    // no fvOptions support yet
+    );
+
+    fvOptions.constrain(TEqn); // no fvOptions support yet
+
+    TEqn.solve();
+
+    particleCloud.clockM().start(31,"postFlow");
+    counter++;
+
+    if((counter - couplingSubStep) % dtDEM2dtCFD == 0)
+        particleCloud.postFlow();
+
+    particleCloud.clockM().stop("postFlow");

applications/solvers/rcfdemSolverCoupledHeattransfer/createFields.H

@@ -0,0 +1,230 @@
+    // dummy fields
+    Info << "\nCreating dummy pressure field\n" << endl;
+    volScalarField pRec
+    (
+        IOobject
+        (
+            "pRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-2,0,0,0,0), 0.0)
+    );
+
+    // recurrence fields
+    Info << "\nCreating recurrence fields.\n" << endl;
+
+    volScalarField rhoRec
+    (
+        IOobject
+        (
+            "rhoRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1, -3, 0, 0, 0), 1.0)
+    );
+
+    volVectorField URec
+    (
+        IOobject
+        (
+            "URec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedVector("zero", dimensionSet(0, 1, -1, 0, 0), vector::zero)
+    );
+
+    volScalarField voidfractionRec
+    (
+        IOobject
+        (
+            "voidfractionRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(0,0,0,0,0,0,0), 0.0)
+    );
+
+    volVectorField UsRec
+    (
+        IOobject
+        (
+            "UsRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedVector("zero", dimensionSet(0, 1, -1, 0, 0), vector::zero)
+    );
+
+    // heat transfer fields
+    Info << "\nCreating heat transfer fields.\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)
+    );
+
+    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)
+    );
+
+    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"
+    );
+
+    volScalarField T
+    (
+        IOobject
+        (
+            "T",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    // calculated fields
+    Info << "\nCreating fields subject to calculation\n" << endl;
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        voidfractionRec
+    );
+
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        UsRec
+    );
+
+    // write fields for t=t_start
+    voidfraction.write();
+    Us.write();
+//===============================
+
+
+    Info << "Calculating face flux field phiRec\n" << endl;
+    surfaceScalarField phiRec
+    (
+        IOobject
+        (
+            "phiRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,0,-1,0,0,0,0), 0.0)
+    );
+    phiRec.write();
+
+
+    Info << "Creating dummy turbulence model\n" << endl;
+    singlePhaseTransportModel laminarTransport(URec, phiRec);
+
+    autoPtr<incompressible::turbulenceModel> turbulence
+    (
+        incompressible::turbulenceModel::New(URec, phiRec, laminarTransport)
+    );
+
+
+    const IOdictionary& transportProps = mesh.lookupObject<IOdictionary>("transportProperties");
+    dimensionedScalar molMass(transportProps.lookup("molM"));
+    // need to scale R down with 1e3 because return value of RR in g, not kg
+    dimensionedScalar R("R",dimensionSet(0,2,-2,-1,0,0,0),Foam::constant::thermodynamic::RR / (1e3*molMass.value()));
+    Info << "specific gas constant R = " << R << endl;
+
+    dimensionedScalar Cv(transportProps.lookup("Cv"));
+
+
+    volScalarField addSource
+    (
+        IOobject
+        (
+           "addSource",
+           runTime.timeName(),
+           mesh,
+           IOobject::READ_IF_PRESENT,
+           IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,0,0,0,0), 0.0)
+    );
+
+
+   // place to put weight functions
+    IOdictionary weightDict
+    (
+        IOobject
+        (
+            "weightDict",
+            runTime.constant(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        )
+    );
+    weightDict.add("weights",scalarList(1,1.0));

applications/solvers/rcfdemSolverCoupledHeattransfer/rcfdemSolverCoupledHeattransfer.C

@@ -0,0 +1,135 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling academic - Open Source CFD-DEM coupling
+
+    Contributing authors:
+    Thomas Lichtenegger
+    Copyright (C) 2015- Johannes Kepler University, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling academic.
+
+    CFDEMcoupling academic 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 academic 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 academic.  If not, see <http://www.gnu.org/licenses/>.
+
+Application
+    rcfdemSolverHeattransfer
+
+Description
+    Solves heat transfer between fluid and particles based on rCFD
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "fvOptions.H"
+#include "singlePhaseTransportModel.H"
+#include "turbulentTransportModel.H"
+#include "cfdemCloudRec.H"
+#include "recBase.H"
+#include "recModel.H"
+#include "recPath.H"
+
+#include "cfdemCloudEnergy.H"
+#include "clockModel.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 "createFields.H"
+    #include "createFvOptions.H"
+
+    cfdemCloudRec<cfdemCloudEnergy> particleCloud(mesh);
+    recBase recurrenceBase(mesh);
+    #include "updateFields.H"
+    #include "updateRho.H"
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info << "\nCalculating particle trajectories based on recurrence statistics\n" << endl;
+
+    label recTimeIndex = 0;
+    label stepCounter = 0;
+    label recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+
+    // control coupling behavior in case of substepping
+    // assumes constant timestep size
+    label counter = 0;
+    label couplingSubStep = recurrenceBase.couplingSubStep();
+    double dtProp =  particleCloud.dataExchangeM().couplingTime() / runTime.deltaTValue();
+    label dtDEM2dtCFD = int(dtProp + 0.5);
+    Info << "deltaT_DEM / deltaT_CFD = " << dtDEM2dtCFD << endl;
+    if (dtDEM2dtCFD > 1)
+        Info << "coupling at substep " << couplingSubStep << endl;
+
+
+    while (runTime.run())
+    {
+        runTime++;
+
+        // do stuff (every lagrangian time step)
+        particleCloud.clockM().start(1,"Global");
+
+        Info << "Time = " << runTime.timeName() << nl << endl;
+
+        particleCloud.clockM().start(2,"Coupling");
+
+        particleCloud.evolve(voidfraction,Us,URec);
+
+        particleCloud.clockM().stop("Coupling");
+
+        particleCloud.clockM().start(26,"Flow");
+        #include "updateRho.H"
+        #include "TEqImp.H"
+        particleCloud.clockM().stop("Flow");
+
+        stepCounter++;
+
+        particleCloud.clockM().start(32,"ReadFields");
+        if (stepCounter == recTimeStep2CFDTimeStep)
+        {
+            recurrenceBase.updateRecFields();
+            #include "updateFields.H"
+            recTimeIndex++;
+            stepCounter = 0;
+            recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+        }
+        particleCloud.clockM().stop("ReadFields");
+
+        particleCloud.clockM().start(33,"Output");
+        runTime.write();
+        particleCloud.clockM().stop("Output");
+
+        particleCloud.clockM().stop("Global");
+
+        Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+             << nl << endl;
+
+    }
+
+    Info << "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/rcfdemSolverCoupledHeattransfer/updateFields.H

@@ -0,0 +1,38 @@
+// get current weights for various databases
+
+// A: triggered over current value of boundary field
+// word boundaryName = "inlet";
+// label myinlet = mesh.boundary().findPatchID(boundaryName);
+// label startIndex = mesh.boundary()[boundaryName].start();
+
+// B: explicitly define weights
+
+scalarList wList(weightDict.lookupOrDefault("weights",scalarList(1,0.0)));
+
+recurrenceBase.recP().updateIntervalWeights(wList);
+
+// is it neccessary to extend recurrence path?
+if(recurrenceBase.recM().endOfPath())
+{
+    recurrenceBase.extendPath();
+}
+
+recurrenceBase.recM().exportVolScalarField("voidfraction",voidfractionRec);
+recurrenceBase.recM().exportVolScalarField("p",pRec);
+recurrenceBase.recM().exportVolVectorField("Us",UsRec);
+recurrenceBase.recM().exportSurfaceScalarField("phi",phiRec);
+
+Info << "current database weights: = " << wList << endl;
+Info << "current database: " << recurrenceBase.recM().currDataBase() << endl;
+for(int i=0;i<wList.size();i++)
+{
+    scalar w = wList[i];
+    if (recurrenceBase.recM().currDataBase() == i) w -= 1.0;
+    phiRec += w*recurrenceBase.recM().exportSurfaceScalarFieldAve("phi",i)();
+}
+
+{
+    volScalarField& NuField(const_cast<volScalarField&>(mesh.lookupObject<volScalarField> ("NuField")));
+    recurrenceBase.recM().exportVolScalarField("NuField",NuField);
+}
+

applications/solvers/rcfdemSolverCoupledHeattransfer/updateRho.H

@@ -0,0 +1 @@
+rhoRec = pRec / (T * R);

applications/solvers/rcfdemSolverForcedTracers/Make/files

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

applications/solvers/rcfdemSolverForcedTracers/Make/options

@@ -0,0 +1,27 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -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 \
+    -I$(CFDEM_SRC_DIR)/recurrence/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/derived/cfdemCloudRec \
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lrecurrence \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lfvOptions \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+$(CFDEM_ADD_LIBS)

applications/solvers/rcfdemSolverForcedTracers/createFields.H

@@ -0,0 +1,113 @@
+    // dummy fields
+    Info << "\nCreating dummy density field\n" << endl;
+
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("rho", dimensionSet(1, -3, 0, 0, 0), 1.0)
+    );
+
+    // particle fields
+    Info << "\nCreating voidfraction and particle velocity fields\n" << endl;
+
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    // recurrence fields
+    Info << "\nCreating recurrence fields.\n" << endl;
+
+    volScalarField pRec
+    (
+        IOobject
+        (
+            "pRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("p", dimensionSet(1, 2, -2, 0, 0), 1.0)
+    );
+
+    volScalarField kRec
+    (
+        IOobject
+        (
+            "kRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("k", dimensionSet(0, 2, -2, 0, 0), 0.0)
+    );
+
+    volVectorField URec
+    (
+        IOobject
+        (
+            "URec",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//===============================
+
+    Info << "Calculating face flux field phi\n" << endl;
+    surfaceScalarField phiRec
+    (
+        IOobject
+        (
+            "phiRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        linearInterpolate(URec*voidfraction) & mesh.Sf()
+    );
+    phiRec.write();
+
+    singlePhaseTransportModel laminarTransport(URec, phiRec);
+
+    autoPtr<incompressible::turbulenceModel> turbulence
+    (
+        incompressible::turbulenceModel::New(URec, phiRec, laminarTransport)
+    );

applications/solvers/rcfdemSolverForcedTracers/rcfdemSolverForcedTracers.C

@@ -0,0 +1,114 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling academic - Open Source CFD-DEM coupling
+
+    Contributing authors:
+    Thomas Lichtenegger
+    Copyright (C) 2015- Johannes Kepler University, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling academic.
+
+    CFDEMcoupling academic 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 academic 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 academic.  If not, see <http://www.gnu.org/licenses/>.
+
+Application
+    rcfdemSolverForcedTracers
+
+Description
+    Moves tracers according to the activated force models on pressure and velocity
+    fields provided by a recurrence process
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "singlePhaseTransportModel.H"
+#include "turbulentTransportModel.H"
+#include "fvOptions.H"
+
+#include "recBase.H"
+#include "recModel.H"
+
+#include "cfdemCloud.H"
+#include "clockModel.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"
+
+    cfdemCloud particleCloud(mesh);
+    recBase recurrenceBase(mesh);
+
+    const IOdictionary& recProps = mesh.lookupObject<IOdictionary>("recProperties");
+    bool useRecP(recProps.lookupOrDefault<bool>("useRecP",false));
+    bool useRecK(recProps.lookupOrDefault<bool>("useRecK",false));
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info << "\nCalculating particle trajectories based on recurrence statistics\n" << endl;
+
+    label recTimeIndex = 0;
+    label stepCounter = 0;
+    label recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+
+    while (runTime.run())
+    {
+        runTime++;
+
+        // do stuff (every lagrangian time step)
+        particleCloud.clockM().start(1,"Global");
+
+        Info << "Time = " << runTime.timeName() << nl << endl;
+
+        particleCloud.clockM().start(2,"Coupling");
+
+        particleCloud.evolve(voidfraction,Us,URec);
+
+        particleCloud.clockM().stop("Coupling");
+
+        stepCounter++;
+
+        if (stepCounter == recTimeStep2CFDTimeStep)
+        {
+            recurrenceBase.updateRecFields();
+            #include "updateFields.H"
+            recTimeIndex++;
+            stepCounter = 0;
+            recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+        }
+
+        particleCloud.clockM().start(27,"Output");
+        runTime.write();
+        particleCloud.clockM().stop("Output");
+
+        particleCloud.clockM().stop("Global");
+
+        Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+             << nl << endl;
+
+    }
+
+    Info << "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/rcfdemSolverForcedTracers/updateFields.H

@@ -0,0 +1,13 @@
+recurrenceBase.recM().exportVolVectorField("U",URec);
+
+if (useRecP)
+{
+    recurrenceBase.recM().exportVolScalarField("p",pRec);
+}
+
+if (useRecK)
+{
+    recurrenceBase.recM().exportVolScalarField("k",kRec);
+// in case database contains the velocity variance instead of k, do
+// kRec *= 0.5;
+}

applications/solvers/rcfdemSolverRhoSteadyPimple/EEqn.H

@@ -6,9 +6,6 @@
     particleCloud.energyContributions(Qsource);
     particleCloud.energyCoefficients(QCoeff);
 
-    //thDiff=particleCloud.thermCondM().thermDiff();
-    thCond=particleCloud.thermCondM().thermCond();
-
     addSource =
         (
             he.name() == "e"
@@ -16,7 +13,7 @@
             fvc::div(phi, K) +
             fvc::div
             (
-                fvc::absolute(phi/fvc::interpolate(rho), voidfraction*U),
+                fvc::absolute(phi/fvc::interpolate(rho), voidfractionRec*U),
                 p,
                 "div(phiv,p)"
             )
@@ -25,21 +22,32 @@
 
     Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
 
-    // correct source for the thermodynamic reference temperature
-    dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL));
-    Qsource += QCoeff*Tref;
+// 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::div(phi, he)
       + addSource
       - Qsource
+      - QCoeff*T
       - fvm::Sp(QCoeff/Cpv, he)
-      - fvm::laplacian(voidfraction*thCond/Cpv,he)
+      + QCoeff/Cpv*he
+      - fvc::laplacian(voidfractionRec*thCond,T)
+      - fvm::laplacian(voidfractionRec*thCond/Cpv,he)
+      + fvc::laplacian(voidfractionRec*thCond/Cpv,he)
      ==
         fvOptions(rho, he)
     );
 
+    if (transientEEqn)
+    {
+        EEqn += fvm::ddt(rho,voidfractionRec,he);
+    }
+
 
     EEqn.relax();
 

applications/solvers/rcfdemSolverRhoSteadyPimple/Make/files

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

applications/solvers/rcfdemSolverRhoSteadyPimple/Make/options

@@ -1,5 +1,7 @@
 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 = \
@@ -15,9 +17,12 @@ EXE_INC = \
     -I$(LIB_SRC)/sampling/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -I$(CFDEM_SRC_DIR)/recurrence/lnInclude \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\
+    -lrecurrence \
     -lcompressibleTransportModels \
     -lfluidThermophysicalModels \
     -lspecie \

applications/solvers/rcfdemSolverRhoSteadyPimple/UEqn.H

@@ -4,7 +4,7 @@ particleCloud.otherForces(fOther);
 tmp<fvVectorMatrix> tUEqn
 (
     fvm::div(phi, U)
-  + particleCloud.divVoidfractionTau(U, voidfraction)
+  + particleCloud.divVoidfractionTau(U, voidfractionRec)
   + fvm::Sp(Ksl,U)
   - fOther
  ==
@@ -18,13 +18,16 @@ fvOptions.constrain(UEqn);
 
 if (modelType=="B" || modelType=="Bfull")
 {
-    solve(UEqn == -fvc::grad(p)+ Ksl*Us);
+    solve(UEqn == -fvc::grad(p)+ Ksl*UsRec);
 }
 else
 {
-    solve(UEqn == -voidfraction*fvc::grad(p)+ Ksl*Us);
+    solve(UEqn == -voidfractionRec*fvc::grad(p)+ Ksl*UsRec);
 }
 
+//U.relax();
+#include "limitU.H"
+
 fvOptions.correct(U);
 
 K = 0.5*magSqr(U);

applications/solvers/rcfdemSolverRhoSteadyPimple/createFields.H

@@ -51,6 +51,19 @@ Info<< "Reading thermophysical properties\n" << endl;
         mesh
     );
 
+    volScalarField voidfractionRec
+    (
+        IOobject
+        (
+            "voidfractionRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        voidfraction
+    );
+
     volScalarField addSource
     (
         IOobject
@@ -58,10 +71,11 @@ Info<< "Reading thermophysical properties\n" << endl;
            "addSource",
            runTime.timeName(),
            mesh,
-           IOobject::MUST_READ,
+           IOobject::READ_IF_PRESENT,
            IOobject::AUTO_WRITE
         ),
-        mesh
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,0,0,0,0), 0.0)
     );
 
     Info<< "\nCreating fluid-particle heat flux field\n" << endl;
@@ -102,11 +116,12 @@ Info<< "Reading thermophysical properties\n" << endl;
             "thCond",
             runTime.timeName(),
             mesh,
-            IOobject::NO_READ,
+            IOobject::READ_IF_PRESENT,
             IOobject::AUTO_WRITE
         ),
         mesh,
-        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0)
+        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0),
+        "zeroGradient"
     );
 
     Info<< "\nCreating heat capacity field\n" << endl;
@@ -153,12 +168,14 @@ Info<< "Reading thermophysical properties\n" << endl;
          linearInterpolate(rho*U*voidfraction) & mesh.Sf()
     );
 
+    Switch transientEEqn(pimple.dict().lookupOrDefault<bool>("transientEEqn",false));
+
     dimensionedScalar rhoMax
     (
         dimensionedScalar::lookupOrDefault
         (
             "rhoMax",
-            simple.dict(),
+            pimple.dict(),
             dimDensity,
             GREAT
         )
@@ -169,12 +186,45 @@ Info<< "Reading thermophysical properties\n" << endl;
         dimensionedScalar::lookupOrDefault
         (
             "rhoMin",
-            simple.dict(),
+            pimple.dict(),
             dimDensity,
             0
         )
     );
 
+    dimensionedScalar pMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "pMax",
+            pimple.dict(),
+            dimPressure,
+            GREAT
+        )
+    );
+
+    dimensionedScalar pMin
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "pMin",
+            pimple.dict(),
+            dimPressure,
+            -GREAT
+        )
+    );
+
+    dimensionedScalar UMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "UMax",
+            pimple.dict(),
+            dimVelocity,
+            -1.0
+        )
+    );
+
     Info<< "Creating turbulence model\n" << endl;
     autoPtr<compressible::turbulenceModel> turbulence
     (
@@ -189,7 +239,7 @@ Info<< "Reading thermophysical properties\n" << endl;
 
     label pRefCell = 0;
     scalar pRefValue = 0.0;
-    setRefCell(p, simple.dict(), pRefCell, pRefValue);
+    setRefCell(p, pimple.dict(), pRefCell, pRefValue);
 
     mesh.setFluxRequired(p.name());
 
@@ -217,11 +267,11 @@ Info<< "Reading thermophysical properties\n" << endl;
             "Ksl",
             runTime.timeName(),
             mesh,
-            IOobject::MUST_READ,
+            IOobject::READ_IF_PRESENT,
             IOobject::AUTO_WRITE
         ),
-        mesh
-        //dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 1.0)
+        mesh,
+        dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 0.0)
     );
 
 
@@ -239,4 +289,20 @@ Info<< "Reading thermophysical properties\n" << endl;
         mesh
     );
 
+    volVectorField UsRec
+    (
+        IOobject
+        (
+            "UsRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        Us
+    );
+
+    
+    dimensionedScalar kf("0", dimensionSet(1, 1, -3, -1, 0, 0, 0), 0.026);
+
 //===============================

applications/solvers/rcfdemSolverRhoSteadyPimple/limitP.H

@@ -0,0 +1,2 @@
+p = max(p, pMin);
+p = min(p, pMax);

applications/solvers/rcfdemSolverRhoSteadyPimple/limitU.H

@@ -0,0 +1,11 @@
+if (UMax.value() > 0)
+{
+    forAll(U,cellI)
+    {
+        scalar mU(mag(U[cellI]));
+        if (mU > UMax.value())
+        {
+            U[cellI] *= UMax.value() / mU;
+        }
+    }
+}

applications/solvers/rcfdemSolverRhoSteadyPimple/pEqn.H

@@ -7,14 +7,15 @@ volScalarField rAU(1.0/UEqn.A());
 surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rhoeps*rAU));
 if (modelType=="A")
 {
-    rhorAUf *= fvc::interpolate(voidfraction);
+    rhorAUf *= fvc::interpolate(voidfractionRec);
 }
 volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+//tUEqn.clear();
 
-surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*Us)& mesh.Sf());
+surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*UsRec)& mesh.Sf());
 
 
-if (simple.transonic())
+if (pimple.transonic())
 {
 //  transonic version not implemented yet
 }
@@ -34,7 +35,7 @@ else
     // Update the pressure BCs to ensure flux consistency
     constrainPressure(p, rhoeps, U, phi, rhorAUf);
 
-    while (simple.correctNonOrthogonal())
+    while (pimple.correctNonOrthogonal())
     {
         // Pressure corrector
         fvScalarMatrix pEqn
@@ -49,7 +50,7 @@ else
 
         pEqn.solve();
 
-        if (simple.finalNonOrthogonalIter())
+        if (pimple.finalNonOrthogonalIter())
         {
             phi += pEqn.flux();
         }
@@ -59,6 +60,8 @@ else
 // Explicitly relax pressure for momentum corrector
 p.relax();
 
+#include "limitP.H"
+
 // Recalculate density from the relaxed pressure
 rho = thermo.rho();
 rho = max(rho, rhoMin);
@@ -69,13 +72,15 @@ Info<< "rho max/min : " << max(rho).value()
 
 if (modelType=="A")
 {
-    U = HbyA - rAU*(voidfraction*fvc::grad(p)-Ksl*Us);
+    U = HbyA - rAU*(voidfractionRec*fvc::grad(p)-Ksl*UsRec);
 }
 else
 {
-    U = HbyA - rAU*(fvc::grad(p)-Ksl*Us);
+    U = HbyA - rAU*(fvc::grad(p)-Ksl*UsRec);
 }
 
+#include "limitU.H"
+
 U.correctBoundaryConditions();
 fvOptions.correct(U);
 K = 0.5*magSqr(U);

applications/solvers/rcfdemSolverRhoSteadyPimple/rcfdemSolverRhoSteadyPimple.C

@@ -0,0 +1,205 @@
+/*---------------------------------------------------------------------------*\
+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
+    rcfdemSolverRhoSteadyPimple
+
+Description
+    Transient (DEM) + steady-state (CFD) solver for compressible flow using the
+    flexible PIMPLE (PISO-SIMPLE) algorithm. Particle-motion is obtained from
+    a recurrence process.
+    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"
+#include "fvOptions.H"
+#include "localEulerDdtScheme.H"
+#include "fvcSmooth.H"
+
+#include "cfdemCloudRec.H"
+#include "recBase.H"
+#include "recModel.H"
+#include "recPath.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 "createFields.H"
+    #include "createFieldRefs.H"
+    #include "createFvOptions.H"
+
+    // create cfdemCloud
+    //#include "readGravitationalAcceleration.H"
+    cfdemCloudRec<cfdemCloudEnergy> particleCloud(mesh);
+    #include "checkModelType.H"
+    recBase recurrenceBase(mesh);
+    #include "updateFields.H"
+
+    turbulence->validate();
+    //#include "compressibleCourantNo.H"
+    //#include "setInitialDeltaT.H"
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    label recTimeIndex = 0;
+    label stepCounter = 0;
+    label recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+
+    const IOdictionary& couplingProps = particleCloud.couplingProperties();
+    label nEveryFlow(couplingProps.lookupOrDefault<label>("nEveryFlow",1));
+    Info << "Solving flow equations every " << nEveryFlow << " steps.\n" << endl;
+    label totalStepCounter = 0;
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    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);
+
+        //voidfraction = voidfractionRec;
+        //Us = UsRec;
+
+        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");
+        volScalarField rhoeps("rhoeps",rho*voidfractionRec);
+        if (totalStepCounter%nEveryFlow==0)
+        {
+            while (pimple.loop())
+            {
+                // if needed, perform drag update here
+#if OPENFOAM_VERSION_MAJOR < 6
+                if (pimple.nCorrPIMPLE() <= 1)
+#else
+                if (pimple.nCorrPimple() <= 1)
+#endif
+                {
+                    #include "rhoEqn.H"
+                }
+
+                // --- Pressure-velocity PIMPLE corrector loop
+
+                #include "UEqn.H"
+                #include "EEqn.H"
+
+                // --- Pressure corrector loop
+                while (pimple.correct())
+                {
+                    // besides this pEqn, OF offers a "pimple consistent"-option
+                    #include "pEqn.H"
+                    rhoeps=rho*voidfractionRec;
+                }
+
+                if (pimple.turbCorr())
+                {
+                    turbulence->correct();
+                }
+            }
+        }
+        totalStepCounter++;
+        particleCloud.clockM().stop("Flow");
+
+        particleCloud.clockM().start(31,"postFlow");
+        particleCloud.postFlow();
+        particleCloud.clockM().stop("postFlow");
+
+        particleCloud.clockM().start(32,"ReadFields");
+
+        stepCounter++;
+
+        if (stepCounter == recTimeStep2CFDTimeStep)
+        {
+            recurrenceBase.updateRecFields();
+            #include "updateFields.H"
+            recTimeIndex++;
+            stepCounter = 0;
+            recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+        }
+        particleCloud.clockM().stop("ReadFields");
+
+        runTime.write();
+
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/rcfdemSolverRhoSteadyPimple/updateFields.H

@@ -0,0 +1,8 @@
+// is it neccessary to extend recurrence path?
+if(recurrenceBase.recM().endOfPath())
+{
+    recurrenceBase.extendPath();
+}
+
+recurrenceBase.recM().exportVolScalarField("voidfraction",voidfractionRec);
+recurrenceBase.recM().exportVolVectorField("Us",UsRec);

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/EEqn.H

@@ -0,0 +1,67 @@
+// 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);
+
+    addSource =
+        (
+            he.name() == "e"
+          ?
+            fvc::div(phi, K) +
+            fvc::div
+            (
+                fvc::absolute(phi/fvc::interpolate(rho), voidfractionRec*U),
+                p,
+                "div(phiv,p)"
+            )
+          : fvc::div(phi, K)
+        );
+
+    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::div(phi, he)
+      + addSource
+      - Qsource
+      - QCoeff*T
+      - fvm::Sp(QCoeff/Cpv, he)
+      + QCoeff/Cpv*he
+      - fvc::laplacian(voidfractionRec*thCond,T)
+      - fvm::laplacian(voidfractionRec*thCond/Cpv,he)
+      + fvc::laplacian(voidfractionRec*thCond/Cpv,he)
+     ==
+        fvOptions(rho, he)
+    );
+
+    if (transientEEqn)
+    {
+        EEqn += fvm::ddt(rho,voidfractionRec,he);
+    }
+
+    EEqn.relax();
+
+    fvOptions.constrain(EEqn);
+
+    EEqn.solve();
+
+    fvOptions.correct(he);
+
+    thermo.correct();
+
+    Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl;
+
+
+    particleCloud.clockM().start(31,"energySolve");
+    particleCloud.solve();
+    particleCloud.clockM().stop("energySolve");
+}

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/Make/files

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

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/Make/options

@@ -0,0 +1,52 @@
+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 = \
+     $(PFLAGS) \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -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$(LIB_SRC)/fvOptions/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(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$(LIB_SRC)/combustionModels/lnInclude \
+    -I$(CFDEM_SRC_DIR)/recurrence/lnInclude \
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lrecurrence \
+    -lcompressibleTransportModels \
+    -lfluidThermophysicalModels \
+    -lspecie \
+    -lturbulenceModels \
+    -lcompressibleTurbulenceModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lsampling \
+    -lfvOptions \
+    -l$(CFDEM_LIB_COMP_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS) \
+    -lreactionThermophysicalModels \
+    -lchemistryModel \
+    -lradiationModels \
+    -lregionModels \
+    -lsurfaceFilmModels \
+    -lODE \
+    -lcombustionModels

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/UEqn.H

@@ -0,0 +1,35 @@
+// Solve the Momentum equation
+particleCloud.otherForces(fOther);
+
+fvVectorMatrix UEqn
+(
+    fvm::div(phi, U)
+  + particleCloud.divVoidfractionTau(U, voidfractionRec)
+  + fvm::Sp(Ksl,U)
+  - fOther
+ ==
+    fvOptions(rho, U)
+);
+
+if (totalStepCounter%nEveryFlow==0)
+{
+    UEqn.relax();
+
+    fvOptions.constrain(UEqn);
+
+    if (modelType=="B" || modelType=="Bfull")
+    {
+        solve(UEqn == -fvc::grad(p)+ Ksl*UsRec);
+    }
+    else
+    {
+        solve(UEqn == -voidfractionRec*fvc::grad(p)+ Ksl*UsRec);
+    }
+
+
+    #include "limitU.H"
+
+    fvOptions.correct(U);
+
+    K = 0.5*magSqr(U);
+}

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/YEqn.H

@@ -0,0 +1,81 @@
+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
+            (
+                mvConvection->fvmDiv(phi, Yi)
+              - fvm::laplacian(voidfractionRec*turbulence->muEff(), Yi)
+              ==
+                combustion->R(Yi)
+              + particleCloud.chemistryM(0).Smi(i)*p/p.prevIter()
+              + fvOptions(rho, Yi)
+            );
+
+            YiEqn.relax();
+
+            fvOptions.constrain(YiEqn);
+
+            YiEqn.solve(mesh.solver("Yi"));
+
+            Yi.relax();
+
+            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/rcfdemSolverRhoSteadyPimpleChem/createFieldRefs.H

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

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/createFields.H

@@ -0,0 +1,420 @@
+Info<< "Reading thermophysical properties\n" << endl;
+
+#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(thermo.lookupOrDefault<bool>("propagateInertSpecie",true));
+
+    const word inertSpecie(thermo.lookupOrDefault<word>("inertSpecie","none"));
+
+    const scalar inertLowerBound(thermo.lookupOrDefault<scalar>("inertLowerBound",0.0));
+
+    const scalar inertUpperBound(thermo.lookupOrDefault<scalar>("inertUpperBound",1.0));
+
+    if (!composition.contains(inertSpecie) && inertSpecie != "none")
+    {
+        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());
+
+    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 voidfractionRec
+    (
+        IOobject
+        (
+            "voidfractionRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        voidfraction
+    );
+
+    volScalarField addSource
+    (
+        IOobject
+        (
+           "addSource",
+           runTime.timeName(),
+           mesh,
+           IOobject::READ_IF_PRESENT,
+           IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,0,0,0,0), 0.0)
+    );
+
+    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 fluid thermal conduction field\n" << endl;
+    volScalarField QFluidCond
+    (
+        IOobject
+        (
+            "QFluidCond",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,0,0,0,0), 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)
+    );
+
+    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()
+    );
+
+    Switch transientEEqn(pimple.dict().lookupOrDefault<bool>("transientEEqn",false));
+
+    dimensionedScalar rhoMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMax",
+            pimple.dict(),
+            dimDensity,
+            GREAT
+        )
+    );
+
+    dimensionedScalar rhoMin
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMin",
+            pimple.dict(),
+            dimDensity,
+            0
+        )
+    );
+
+    dimensionedScalar pMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "pMax",
+            pimple.dict(),
+            dimPressure,
+            GREAT
+        )
+    );
+
+    dimensionedScalar pMin
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "pMin",
+            pimple.dict(),
+            dimPressure,
+            -GREAT
+        )
+    );
+
+    dimensionedScalar UMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "UMax",
+            pimple.dict(),
+            dimVelocity,
+            -1.0
+        )
+    );
+
+    Info<< "Creating turbulence model\n" << endl;
+    autoPtr<compressible::turbulenceModel> turbulence
+    (
+        compressible::turbulenceModel::New
+        (
+            rho,
+            U,
+            phi,
+            thermo
+        )
+    );
+
+#if OPENFOAM_VERSION_MAJOR >= 6
+    Info<< "Creating combustion model\n" << endl;
+    autoPtr<CombustionModel<rhoReactionThermo>> combustion
+    (
+        CombustionModel<rhoReactionThermo>::New(thermo, turbulence())
+    );
+#endif
+
+    label pRefCell = 0;
+    scalar pRefValue = 0.0;
+    setRefCell(p, pimple.dict(), pRefCell, pRefValue);
+
+    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));
+
+#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::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 0.0)
+    );
+
+
+    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)
+    );
+
+    volVectorField UsRec
+    (
+        IOobject
+        (
+            "UsRec",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        Us
+    );
+
+
+    dimensionedScalar kf("0", dimensionSet(1, 1, -3, -1, 0, 0, 0), 0.026);
+
+//===============================

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/limitP.H

@@ -0,0 +1,2 @@
+p = max(p, pMin);
+p = min(p, pMax);

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/limitU.H

@@ -0,0 +1,11 @@
+if (UMax.value() > 0)
+{
+    forAll(U,cellI)
+    {
+        scalar mU(mag(U[cellI]));
+        if (mU > UMax.value())
+        {
+            U[cellI] *= UMax.value() / mU;
+        }
+    }
+}

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/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/rcfdemSolverRhoSteadyPimpleChem/monitorMass.H

@@ -0,0 +1,9 @@
+{
+    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;
+
+    QFluidCond = fvc::laplacian(voidfractionRec*thCond,T);
+}

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/pEqn.H

@@ -0,0 +1,96 @@
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+
+if (totalStepCounter%nEveryFlow==0)
+{
+
+volScalarField rAU(1.0/UEqn.A());
+surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rhoeps*rAU));
+if (modelType=="A")
+{
+    rhorAUf *= fvc::interpolate(voidfractionRec);
+}
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*UsRec)& mesh.Sf());
+
+
+if (pimple.transonic())
+{
+//  transonic version not implemented yet
+}
+else
+{
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        (
+            fvc::flux(rhoeps*HbyA)
+        )
+    );
+
+    // 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
+        (
+            fvc::div(phi)
+          - fvm::laplacian(rhorAUf, p)
+          ==
+            fvm::Sp(SmbyP, p)
+          + fvOptions(psi, p, rho.name())
+        );
+
+        pEqn.setReference(pRefCell, pRefValue);
+
+        pEqn.solve();
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi += pEqn.flux();
+        }
+    }
+}
+
+#include "rhoEqn.H"
+#include "compressibleContinuityErrsPU.H"
+
+// Explicitly relax pressure for momentum corrector
+p.relax();
+
+#include "limitP.H"
+
+// Recalculate density from the relaxed pressure
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+Info<< "rho max/min : " << max(rho).value()
+    << " " << min(rho).value() << endl;
+
+if (modelType=="A")
+{
+    U = HbyA - rAU*(voidfractionRec*fvc::grad(p)-Ksl*UsRec);
+}
+else
+{
+    U = HbyA - rAU*(fvc::grad(p)-Ksl*UsRec);
+}
+
+#include "limitU.H"
+
+U.correctBoundaryConditions();
+fvOptions.correct(U);
+K = 0.5*magSqr(U);
+
+}

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/rcfdemSolverRhoSteadyPimpleChem.C

@@ -0,0 +1,222 @@
+/*---------------------------------------------------------------------------*\
+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
+    rcfdemSolverRhoSteadyPimpleChem
+
+Description
+    Transient (DEM) + steady-state (CFD) solver for compressible flow using the
+    flexible PIMPLE (PISO-SIMPLE) algorithm. Particle-motion is obtained from
+    a recurrence process.
+    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"
+#if OPENFOAM_VERSION_MAJOR < 6
+#include "rhoCombustionModel.H"
+#else
+#include "rhoReactionThermo.H"
+#include "CombustionModel.H"
+#endif
+#include "bound.H"
+#include "pimpleControl.H"
+#include "fvOptions.H"
+#include "localEulerDdtScheme.H"
+#include "fvcSmooth.H"
+
+#include "cfdemCloudRec.H"
+#include "recBase.H"
+#include "recModel.H"
+#include "recPath.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"
+    cfdemCloudRec<cfdemCloudEnergy> particleCloud(mesh);
+    #include "checkModelType.H"
+    recBase recurrenceBase(mesh);
+    #include "updateFields.H"
+
+    turbulence->validate();
+    //#include "compressibleCourantNo.H"
+    //#include "setInitialDeltaT.H"
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    label recTimeIndex = 0;
+    label stepCounter = 0;
+    label recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+
+    const IOdictionary& couplingProps = particleCloud.couplingProperties();
+    label nEveryFlow(couplingProps.lookupOrDefault<label>("nEveryFlow",1));
+    Info << "Solving flow equations for U and p every " << nEveryFlow << " steps.\n" << endl;
+    label totalStepCounter = 0;
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    scalar m(0.0);
+    scalar m0(0.0);
+    label counter(0);
+    p.storePrevIter();
+
+    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);
+
+        //voidfraction = voidfractionRec;
+        //Us = UsRec;
+
+        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");
+        volScalarField rhoeps("rhoeps",rho*voidfractionRec);
+
+        while (pimple.loop())
+        {
+            // if needed, perform drag update here
+#if OPENFOAM_VERSION_MAJOR < 6
+            if (pimple.nCorrPIMPLE() <= 1)
+#else
+            if (pimple.nCorrPimple() <= 1)
+#endif
+            {
+                #include "rhoEqn.H"
+            }
+
+            // --- Pressure-velocity PIMPLE corrector loop
+
+
+            #include "UEqn.H"
+            #include "EEqn.H"
+
+            // --- Pressure corrector loop
+            while (pimple.correct())
+            {
+                // besides this pEqn, OF offers a "pimple consistent"-option
+                #include "molConc.H"
+                #include "pEqn.H"
+                rhoeps=rho*voidfractionRec;
+            }
+            #include "YEqn.H"
+
+            if (pimple.turbCorr())
+            {
+                turbulence->correct();
+            }
+        }
+
+        #include "monitorMass.H"
+
+        totalStepCounter++;
+        particleCloud.clockM().stop("Flow");
+
+        particleCloud.clockM().start(31,"postFlow");
+        particleCloud.postFlow();
+        particleCloud.clockM().stop("postFlow");
+
+        particleCloud.clockM().start(32,"ReadFields");
+        stepCounter++;
+
+        if (stepCounter == recTimeStep2CFDTimeStep)
+        {
+            recurrenceBase.updateRecFields();
+            #include "updateFields.H"
+            recTimeIndex++;
+            stepCounter = 0;
+            recTimeStep2CFDTimeStep = recurrenceBase.recM().recTimeStep2CFDTimeStep();
+        }
+        particleCloud.clockM().stop("ReadFields");
+
+        runTime.write();
+
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/rhoEqn.H

@@ -0,0 +1,21 @@
+{
+/*
+    fvScalarMatrix rhoEqn
+    (
+        //fvm::ddt(voidfraction,rho)
+      //+ 
+        fvc::div(phi)
+      ==
+        particleCloud.chemistryM(0).Sm()
+      + fvOptions(rho)
+    );
+
+    fvOptions.constrain(rhoEqn);
+
+    rhoEqn.solve();
+
+    fvOptions.correct(rho);
+*/
+}
+
+// ************************************************************************* //

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/updateFields.H

@@ -0,0 +1,8 @@
+// is it neccessary to extend recurrence path?
+if(recurrenceBase.recM().endOfPath())
+{
+    recurrenceBase.extendPath();
+}
+
+recurrenceBase.recM().exportVolScalarField("voidfraction",voidfractionRec);
+recurrenceBase.recM().exportVolVectorField("Us",UsRec);