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Merge branch 'develop' into feature/adaptive_resolution_universe

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# Conflicts:
#	src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayOne2One/twoWayOne2One.C
This commit is contained in:
Daniel Queteschiner
2019-10-23 18:03:23 +02:00
parent 69b3c903b3 7de941746f
commit cab6b7e88f
291 changed files with 16165 additions and 407 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
.gitignore vendored
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@ -5,6 +5,8 @@
log_*
log.*
*~
*.swp
*.swo
**/linux*Gcc*/
**/.vscode

6
README.md
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@ -1,6 +1,6 @@
# 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](www.cfdem.com).
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)
@ -8,7 +8,7 @@ CFDEM®coupling stands for Computational Fluid Dynamics (CFD) - Discrete Element
## 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.](www.jku.at/pfm)
[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.
@ -29,5 +29,5 @@ endorsed by DCS Computing GmbH, the official producer of the LIGGGHTS® and CFDE
- 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 contributied by other parties, which are
- Some parts of CFDEM®coupling are contributed by other parties, which are
holding the Copyright. This is listed in each file of the distribution.

3
applications/solvers/cfdemSolverRhoPimple/EEqn.H
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@ -54,6 +54,9 @@
thermo.correct();
Info << "Qsource" << max(Qsource).value() << " " << min(Qsource).value() << endl;
Info << "QCoeff" << max(QCoeff).value() << " " << min(QCoeff).value() << endl;
Info << "Cpv" << max(Cpv).value() << " " << min(Cpv).value() << endl;
Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl;
particleCloud.clockM().start(31,"energySolve");

14
applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H
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@ -10,8 +10,8 @@ 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;
// dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL));
// Qsource += QCoeff*Tref;
fvScalarMatrix EEqn
(
@ -49,7 +49,13 @@ 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");
}

2
applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C
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@ -52,7 +52,6 @@ Description
int main(int argc, char *argv[])
{
// #include "postProcess.H"
#include "setRootCase.H"
#include "createTime.H"
#include "createMesh.H"
@ -61,7 +60,6 @@ int main(int argc, char *argv[])
#include "createRDeltaT.H"
#include "createFields.H"
#include "createFieldRefs.H"
#include "createFvOptions.H"
#include "initContinuityErrs.H"

39
applications/solvers/cfdemSolverRhoPimpleChem/createFields.H
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@ -8,7 +8,6 @@
);
rhoReactionThermo& thermo = combustion->thermo();
thermo.validate(args.executable(), "h", "e");
basicSpecieMixture& composition = thermo.composition();
@ -34,6 +33,8 @@
}
volScalarField& p = thermo.p();
const volScalarField& T = thermo.T();
const volScalarField& psi = thermo.psi();
multivariateSurfaceInterpolationScheme<scalar>::fieldTable fields;
@ -57,9 +58,6 @@
);
// kinematic fields
Info<< "Reading field U\n" << endl;
volVectorField U
(
@ -88,18 +86,8 @@
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
@ -282,9 +270,18 @@
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);

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doc/_themes/lammps_theme/breadcrumbs.html vendored Normal file
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@ -0,0 +1,34 @@
<div role="navigation" aria-label="breadcrumbs navigation">
<ul class="wy-breadcrumbs">
<li><a href="{{ pathto(master_doc) }}">Docs</a> &raquo;</li>
{% for doc in parents %}
<li><a href="{{ doc.link|e }}">{{ doc.title }}</a> &raquo;</li>
{% endfor %}
<li>{{ title }}</li>
<li class="wy-breadcrumbs-aside">
{% if pagename != "search" %}
{% if display_github %}
<a href="https://{{ github_host|default("github.com") }}/{{ github_user }}/{{ github_repo }}/blob/{{ github_version }}{{ conf_py_path }}{{ pagename }}{{ source_suffix }}" class="fa fa-github"> Edit on GitHub</a>
{% elif display_bitbucket %}
<a href="https://bitbucket.org/{{ bitbucket_user }}/{{ bitbucket_repo }}/src/{{ bitbucket_version}}{{ conf_py_path }}{{ pagename }}{{ source_suffix }}" class="fa fa-bitbucket"> Edit on Bitbucket</a>
{% elif show_source and source_url_prefix %}
<a href="{{ source_url_prefix }}{{ pagename }}{{ source_suffix }}">View page source</a>
{% elif show_source and has_source and sourcename %}
<a href="{{ pathto('_sources/' + sourcename, true)|e }}" rel="nofollow"> View page source</a>
{% endif %}
<a href="https://www.cfdem.com">Website</a>
{% endif %}
</li>
</ul>
<hr/>
{% if next or prev %}
<div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
{% if next %}
<a href="{{ next.link|e }}" class="btn btn-neutral float-right" title="{{ next.title|striptags|e }}" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
{% endif %}
{% if prev %}
<a href="{{ prev.link|e }}" class="btn btn-neutral" title="{{ prev.title|striptags|e }}" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
{% endif %}
</div>
{% endif %}
</div>

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doc/_themes/lammps_theme/footer.html vendored Normal file
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@ -0,0 +1,36 @@
<footer>
{% if next or prev %}
<div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
{% if next %}
<a href="{{ next.link|e }}" class="btn btn-neutral float-right" title="{{ next.title|striptags|e }}" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
{% endif %}
{% if prev %}
<a href="{{ prev.link|e }}" class="btn btn-neutral" title="{{ prev.title|striptags|e }}" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
{% endif %}
</div>
{% endif %}
<hr/>
<div role="contentinfo">
<p>
{%- if show_copyright %}
{%- if hasdoc('copyright') %}
{% trans path=pathto('copyright'), copyright=copyright|e %}&copy; <a href="{{ path }}">Copyright</a> {{ copyright }}.{% endtrans %}
{%- else %}
{% trans copyright=copyright|e %}&copy; Copyright {{ copyright }}.{% endtrans %}
{%- endif %}
{%- endif %}
{%- if last_updated %}
{% trans last_updated=last_updated|e %}Last updated on {{ last_updated }}.{% endtrans %}
{%- endif %}
</p>
</div>
{%- if show_sphinx %}
{% trans %}Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>{% endtrans %}.
{%- endif %}
</footer>

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doc/_themes/lammps_theme/layout.html vendored Normal file
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@ -0,0 +1,195 @@
{# TEMPLATE VAR SETTINGS #}
{%- set url_root = pathto('', 1) %}
{%- if url_root == '#' %}{% set url_root = '' %}{% endif %}
{%- if not embedded and docstitle %}
{%- set titlesuffix = " &mdash; "|safe + docstitle|e %}
{%- else %}
{%- set titlesuffix = "" %}
{%- endif %}
<!DOCTYPE html>
<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
<head>
<meta charset="utf-8">
{{ metatags }}
<meta name="viewport" content="width=device-width, initial-scale=1.0">
{% block htmltitle %}
<title>{{ title|striptags|e }}{{ titlesuffix }}</title>
{% endblock %}
{# FAVICON #}
{% if favicon %}
<link rel="shortcut icon" href="{{ pathto('_static/' + favicon, 1) }}"/>
{% endif %}
{# CSS #}
{# OPENSEARCH #}
{% if not embedded %}
{% if use_opensearch %}
<link rel="search" type="application/opensearchdescription+xml" title="{% trans docstitle=docstitle|e %}Search within {{ docstitle }}{% endtrans %}" href="{{ pathto('_static/opensearch.xml', 1) }}"/>
{% endif %}
{% endif %}
{# RTD hosts this file, so just load on non RTD builds #}
{% if not READTHEDOCS %}
<link rel="stylesheet" href="{{ pathto('_static/' + style, 1) }}" type="text/css" />
{% endif %}
{% for cssfile in css_files %}
<link rel="stylesheet" href="{{ pathto(cssfile, 1) }}" type="text/css" />
{% endfor %}
{% for cssfile in extra_css_files %}
<link rel="stylesheet" href="{{ pathto(cssfile, 1) }}" type="text/css" />
{% endfor %}
{%- block linktags %}
{%- if hasdoc('about') %}
<link rel="author" title="{{ _('About these documents') }}"
href="{{ pathto('about') }}"/>
{%- endif %}
{%- if hasdoc('genindex') %}
<link rel="index" title="{{ _('Index') }}"
href="{{ pathto('genindex') }}"/>
{%- endif %}
{%- if hasdoc('search') %}
<link rel="search" title="{{ _('Search') }}" href="{{ pathto('search') }}"/>
{%- endif %}
{%- if hasdoc('copyright') %}
<link rel="copyright" title="{{ _('Copyright') }}" href="{{ pathto('copyright') }}"/>
{%- endif %}
<link rel="top" title="{{ docstitle|e }}" href="{{ pathto('index') }}"/>
{%- if parents %}
<link rel="up" title="{{ parents[-1].title|striptags|e }}" href="{{ parents[-1].link|e }}"/>
{%- endif %}
{%- if next %}
<link rel="next" title="{{ next.title|striptags|e }}" href="{{ next.link|e }}"/>
{%- endif %}
{%- if prev %}
<link rel="prev" title="{{ prev.title|striptags|e }}" href="{{ prev.link|e }}"/>
{%- endif %}
{%- endblock %}
{%- block extrahead %} {% endblock %}
{# Keep modernizr in head - http://modernizr.com/docs/#installing #}
<script src="{{ pathto('_static/js/modernizr.min.js', 1) }}"></script>
</head>
<body class="wy-body-for-nav" role="document">
<div class="wy-grid-for-nav">
{# SIDE NAV, TOGGLES ON MOBILE #}
<nav data-toggle="wy-nav-shift" class="wy-nav-side">
<div class="wy-side-nav-search">
{% block sidebartitle %}
{% if logo and theme_logo_only %}
<a href="{{ pathto(master_doc) }}">
{% else %}
<a href="{{ pathto(master_doc) }}" class="icon icon-home"> {{ project }}
{% endif %}
{% if logo %}
{# Not strictly valid HTML, but it's the only way to display/scale it properly, without weird scripting or heaps of work #}
<img src="{{ pathto('_static/' + logo, 1) }}" class="logo" />
{% endif %}
</a>
{% if theme_display_version %}
{%- set nav_version = version %}
{% if READTHEDOCS and current_version %}
{%- set nav_version = current_version %}
{% endif %}
{% if nav_version %}
<div class="version">
{{ nav_version }}
</div>
{% endif %}
{% endif %}
{% include "searchbox.html" %}
{% endblock %}
</div>
<div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
{% block menu %}
{% set toctree = toctree(maxdepth=4, collapse=theme_collapse_navigation, includehidden=True) %}
{% if toctree %}
{{ toctree }}
{% else %}
<!-- Local TOC -->
<div class="local-toc">{{ toc }}</div>
{% endif %}
{% endblock %}
</div>
&nbsp;
</nav>
<section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
{# MOBILE NAV, TRIGGLES SIDE NAV ON TOGGLE #}
<nav class="wy-nav-top" role="navigation" aria-label="top navigation">
<i data-toggle="wy-nav-top" class="fa fa-bars"></i>
<a href="{{ pathto(master_doc) }}">{{ project }}</a>
</nav>
{# PAGE CONTENT #}
<div class="wy-nav-content">
<div class="rst-content">
{% include "breadcrumbs.html" %}
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
{% block body %}{% endblock %}
</div>
</div>
{% include "footer.html" %}
</div>
</div>
</section>
</div>
{% include "versions.html" %}
{% if not embedded %}
<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'{{ url_root }}',
VERSION:'{{ release|e }}',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'{{ '' if no_search_suffix else file_suffix }}',
HAS_SOURCE: {{ has_source|lower }}
};
</script>
{%- for scriptfile in script_files %}
<script type="text/javascript" src="{{ pathto(scriptfile, 1) }}"></script>
{%- endfor %}
{% endif %}
{# RTD hosts this file, so just load on non RTD builds #}
{% if not READTHEDOCS %}
<script type="text/javascript" src="{{ pathto('_static/js/theme.js', 1) }}"></script>
{% endif %}
{# STICKY NAVIGATION #}
{% if theme_sticky_navigation %}
<script type="text/javascript">
jQuery(function () {
SphinxRtdTheme.StickyNav.enable();
});
</script>
{% endif %}
{%- block footer %} {% endblock %}
</body>
</html>

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doc/_themes/lammps_theme/layout_old.html vendored Normal file
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@ -0,0 +1,205 @@
{#
basic/layout.html
~~~~~~~~~~~~~~~~~
Master layout template for Sphinx themes.
:copyright: Copyright 2007-2013 by the Sphinx team, see AUTHORS.
:license: BSD, see LICENSE for details.
#}
{%- block doctype -%}
<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN"
"http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
{%- endblock %}
{%- set reldelim1 = reldelim1 is not defined and ' &raquo;' or reldelim1 %}
{%- set reldelim2 = reldelim2 is not defined and ' |' or reldelim2 %}
{%- set render_sidebar = (not embedded) and (not theme_nosidebar|tobool) and
(sidebars != []) %}
{%- set url_root = pathto('', 1) %}
{# XXX necessary? #}
{%- if url_root == '#' %}{% set url_root = '' %}{% endif %}
{%- if not embedded and docstitle %}
{%- set titlesuffix = " &mdash; "|safe + docstitle|e %}
{%- else %}
{%- set titlesuffix = "" %}
{%- endif %}
{%- macro relbar() %}
<div class="related">
<h3>{{ _('Navigation') }}</h3>
<ul>
{%- for rellink in rellinks %}
<li class="right" {% if loop.first %}style="margin-right: 10px"{% endif %}>
<a href="{{ pathto(rellink[0]) }}" title="{{ rellink[1]|striptags|e }}"
{{ accesskey(rellink[2]) }}>{{ rellink[3] }}</a>
{%- if not loop.first %}{{ reldelim2 }}{% endif %}</li>
{%- endfor %}
{%- block rootrellink %}
<li><a href="{{ pathto(master_doc) }}">{{ shorttitle|e }}</a>{{ reldelim1 }}</li>
{%- endblock %}
{%- for parent in parents %}
<li><a href="{{ parent.link|e }}" {% if loop.last %}{{ accesskey("U") }}{% endif %}>{{ parent.title }}</a>{{ reldelim1 }}</li>
{%- endfor %}
{%- block relbaritems %} {% endblock %}
</ul>
</div>
{%- endmacro %}
{%- macro sidebar() %}
{%- if render_sidebar %}
<div class="sphinxsidebar">
<div class="sphinxsidebarwrapper">
{%- block sidebarlogo %}
{%- if logo %}
<p class="logo"><a href="{{ pathto(master_doc) }}">
<img class="logo" src="{{ pathto('_static/' + logo, 1) }}" alt="Logo"/>
</a></p>
{%- endif %}
{%- endblock %}
{%- if sidebars != None %}
{#- new style sidebar: explicitly include/exclude templates #}
{%- for sidebartemplate in sidebars %}
{%- include sidebartemplate %}
{%- endfor %}
{%- else %}
{#- old style sidebars: using blocks -- should be deprecated #}
{%- block sidebartoc %}
{%- include "localtoc.html" %}
{%- endblock %}
{%- block sidebarrel %}
{%- include "relations.html" %}
{%- endblock %}
{%- block sidebarsourcelink %}
{%- include "sourcelink.html" %}
{%- endblock %}
{%- if customsidebar %}
{%- include customsidebar %}
{%- endif %}
{%- block sidebarsearch %}
{%- include "searchbox.html" %}
{%- endblock %}
{%- endif %}
</div>
</div>
{%- endif %}
{%- endmacro %}
{%- macro script() %}
<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT: '{{ url_root }}',
VERSION: '{{ release|e }}',
COLLAPSE_INDEX: false,
FILE_SUFFIX: '{{ '' if no_search_suffix else file_suffix }}',
HAS_SOURCE: {{ has_source|lower }}
};
</script>
{%- for scriptfile in script_files %}
<script type="text/javascript" src="{{ pathto(scriptfile, 1) }}"></script>
{%- endfor %}
{%- endmacro %}
{%- macro css() %}
<link rel="stylesheet" href="{{ pathto('_static/' + style, 1) }}" type="text/css" />
<link rel="stylesheet" href="{{ pathto('_static/pygments.css', 1) }}" type="text/css" />
{%- for cssfile in css_files %}
<link rel="stylesheet" href="{{ pathto(cssfile, 1) }}" type="text/css" />
{%- endfor %}
{%- endmacro %}
<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="Content-Type" content="text/html; charset={{ encoding }}" />
{{ metatags }}
{%- block htmltitle %}
<title>{{ title|striptags|e }}{{ titlesuffix }}</title>
{%- endblock %}
{{ css() }}
{%- if not embedded %}
{{ script() }}
{%- if use_opensearch %}
<link rel="search" type="application/opensearchdescription+xml"
title="{% trans docstitle=docstitle|e %}Search within {{ docstitle }}{% endtrans %}"
href="{{ pathto('_static/opensearch.xml', 1) }}"/>
{%- endif %}
{%- if favicon %}
<link rel="shortcut icon" href="{{ pathto('_static/' + favicon, 1) }}"/>
{%- endif %}
{%- endif %}
{%- block linktags %}
{%- if hasdoc('about') %}
<link rel="author" title="{{ _('About these documents') }}" href="{{ pathto('about') }}" />
{%- endif %}
{%- if hasdoc('genindex') %}
<link rel="index" title="{{ _('Index') }}" href="{{ pathto('genindex') }}" />
{%- endif %}
{%- if hasdoc('search') %}
<link rel="search" title="{{ _('Search') }}" href="{{ pathto('search') }}" />
{%- endif %}
{%- if hasdoc('copyright') %}
<link rel="copyright" title="{{ _('Copyright') }}" href="{{ pathto('copyright') }}" />
{%- endif %}
<link rel="top" title="{{ docstitle|e }}" href="{{ pathto('index') }}" />
{%- if parents %}
<link rel="up" title="{{ parents[-1].title|striptags|e }}" href="{{ parents[-1].link|e }}" />
{%- endif %}
{%- if next %}
<link rel="next" title="{{ next.title|striptags|e }}" href="{{ next.link|e }}" />
{%- endif %}
{%- if prev %}
<link rel="prev" title="{{ prev.title|striptags|e }}" href="{{ prev.link|e }}" />
{%- endif %}
{%- endblock %}
{%- block extrahead %} {% endblock %}
</head>
<body>
{%- block header %}{% endblock %}
{%- block relbar1 %}{{ relbar() }}{% endblock %}
{%- block content %}
{%- block sidebar1 %} {# possible location for sidebar #} {% endblock %}
<div class="document">
{%- block document %}
<div class="documentwrapper">
{%- if render_sidebar %}
<div class="bodywrapper">
{%- endif %}
<div class="body">
{% block body %} {% endblock %}
</div>
{%- if render_sidebar %}
</div>
{%- endif %}
</div>
{%- endblock %}
{%- block sidebar2 %}{{ sidebar() }}{% endblock %}
<div class="clearer"></div>
</div>
{%- endblock %}
{%- block relbar2 %}{{ relbar() }}{% endblock %}
{%- block footer %}
<div class="footer">
{%- if show_copyright %}
{%- if hasdoc('copyright') %}
{% trans path=pathto('copyright'), copyright=copyright|e %}&copy; <a href="{{ path }}">Copyright</a> {{ copyright }}.{% endtrans %}
{%- else %}
{% trans copyright=copyright|e %}&copy; Copyright {{ copyright }}.{% endtrans %}
{%- endif %}
{%- endif %}
{%- if last_updated %}
{% trans last_updated=last_updated|e %}Last updated on {{ last_updated }}.{% endtrans %}
{%- endif %}
{%- if show_sphinx %}
{% trans sphinx_version=sphinx_version|e %}Created using <a href="http://sphinx-doc.org/">Sphinx</a> {{ sphinx_version }}.{% endtrans %}
{%- endif %}
</div>
<p>asdf asdf asdf asdf 22</p>
{%- endblock %}
</body>
</html>

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@ -0,0 +1,50 @@
{#
basic/search.html
~~~~~~~~~~~~~~~~~
Template for the search page.
:copyright: Copyright 2007-2013 by the Sphinx team, see AUTHORS.
:license: BSD, see LICENSE for details.
#}
{%- extends "layout.html" %}
{% set title = _('Search') %}
{% set script_files = script_files + ['_static/searchtools.js'] %}
{% block footer %}
<script type="text/javascript">
jQuery(function() { Search.loadIndex("{{ pathto('searchindex.js', 1) }}"); });
</script>
{# this is used when loading the search index using $.ajax fails,
such as on Chrome for documents on localhost #}
<script type="text/javascript" id="searchindexloader"></script>
{{ super() }}
{% endblock %}
{% block body %}
<noscript>
<div id="fallback" class="admonition warning">
<p class="last">
{% trans %}Please activate JavaScript to enable the search
functionality.{% endtrans %}
</p>
</div>
</noscript>
{% if search_performed %}
<h2>{{ _('Search Results') }}</h2>
{% if not search_results %}
<p>{{ _('Your search did not match any documents. Please make sure that all words are spelled correctly and that you\'ve selected enough categories.') }}</p>
{% endif %}
{% endif %}
<div id="search-results">
{% if search_results %}
<ul>
{% for href, caption, context in search_results %}
<li>
<a href="{{ pathto(item.href) }}">{{ caption }}</a>
<p class="context">{{ context|e }}</p>
</li>
{% endfor %}
</ul>
{% endif %}
</div>
{% endblock %}

9
doc/_themes/lammps_theme/searchbox.html vendored Normal file
View File

@ -0,0 +1,9 @@
{%- if builder != 'singlehtml' %}
<div role="search">
<form id="rtd-search-form" class="wy-form" action="{{ pathto('search') }}" method="get">
<input type="text" name="q" placeholder="Search docs" />
<input type="hidden" name="check_keywords" value="yes" />
<input type="hidden" name="area" value="default" />
</form>
</div>
{%- endif %}

37
doc/_themes/lammps_theme/versions.html vendored Normal file
View File

@ -0,0 +1,37 @@
{% if READTHEDOCS %}
{# Add rst-badge after rst-versions for small badge style. #}
<div class="rst-versions" data-toggle="rst-versions" role="note" aria-label="versions">
<span class="rst-current-version" data-toggle="rst-current-version">
<span class="fa fa-book"> Read the Docs</span>
v: {{ current_version }}
<span class="fa fa-caret-down"></span>
</span>
<div class="rst-other-versions">
<dl>
<dt>Versions</dt>
{% for slug, url in versions %}
<dd><a href="{{ url }}">{{ slug }}</a></dd>
{% endfor %}
</dl>
<dl>
<dt>Downloads</dt>
{% for type, url in downloads %}
<dd><a href="{{ url }}">{{ type }}</a></dd>
{% endfor %}
</dl>
<dl>
<dt>On Read the Docs</dt>
<dd>
<a href="//{{ PRODUCTION_DOMAIN }}/projects/{{ slug }}/?fromdocs={{ slug }}">Project Home</a>
</dd>
<dd>
<a href="//{{ PRODUCTION_DOMAIN }}/builds/{{ slug }}/?fromdocs={{ slug }}">Builds</a>
</dd>
</dl>
<hr/>
Free document hosting provided by <a href="http://www.readthedocs.org">Read the Docs</a>.
</div>
</div>
{% endif %}

2
etc/bashrc
View File

@ -17,7 +17,7 @@
#------------------------------------------------------------------------------
export CFDEM_PROJECT=CFDEM
export CFDEM_VERSION=19.02
export CFDEM_VERSION=19.09
################################################################################
# USER EDITABLE PART: Changes made here may be lost with the next upgrade

2
etc/cshrc
View File

@ -15,7 +15,7 @@
#------------------------------------------------------------------------------
setenv CFDEM_PROJECT CFDEM
setenv CFDEM_VERSION 19.02
setenv CFDEM_VERSION 19.09
################################################################################
# USER EDITABLE PART: Changes made here may be lost with the next upgrade

8
src/lagrangian/cfdemParticle/cfdTools/versionInfo.H
View File

@ -34,12 +34,12 @@ Description
#ifndef versionInfo_H
#define versionInfo_H
word CFDEMversion="PFM 19.02";
word compatibleLIGGGHTSversion="PFM 19.02";
word CFDEMversion="PFM 19.09";
word compatibleLIGGGHTSversion="PFM 19.09";
word OFversion="4.x";
Info << "\nCFDEMcoupling version: " << CFDEMversion << endl;
Info << ", compatible to LIGGGHTS version: " << compatibleLIGGGHTSversion << endl;
Info << ", compatible to OpenFOAM version: " << OFversion << endl;
Info << "compatible to LIGGGHTS version: " << compatibleLIGGGHTSversion << endl;
Info << "compatible to OpenFOAM version: " << OFversion << endl;
#endif

13
src/lagrangian/cfdemParticle/cfdemCloud/cfdemCloud.C
View File

@ -45,6 +45,7 @@ Description
#include "smoothingModel.H"
#include "liggghtsCommandModel.H"
#include "otherForceModel.H"
#include "IOmanip.H"
namespace Foam
{
@ -660,16 +661,14 @@ bool cfdemCloud::evolve
}
//============================================
//CHECK JUST TIME-INTERPOATE ALREADY SMOOTHENED VOIDFRACTIONNEXT AND UsNEXT FIELD
//CHECK JUST TIME-INTERPOLATE ALREADY SMOOTHENED VOIDFRACTIONNEXT AND UsNEXT FIELD
// IMPLICIT FORCE CONTRIBUTION AND SOLVER USE EXACTLY THE SAME AVERAGED
// QUANTITIES AT THE GRID!
scalar timeStepFrac = dataExchangeM().timeStepFraction();
const scalar timeStepFrac = dataExchangeM().timeStepFraction();
int old_precision = Info().precision(10);
Info << "\n timeStepFraction() = " << timeStepFrac << endl;
if(timeStepFrac > 1.0000001)
{
// FatalError << "cfdemCloud::dataExchangeM().timeStepFraction()>1: Do not do this, since dangerous. This might be due to the fact that you used a adjustable CFD time step. Please use a fixed CFD time step." << abort(FatalError);
Warning << "cfdemCloud::dataExchangeM().timeStepFraction() = " << timeStepFrac << endl;
}
Info().precision(old_precision);
clockM().start(24,"interpolateEulerFields");
// update voidFractionField

240
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C
View File

@ -72,24 +72,12 @@ diffusionCoefficient::diffusionCoefficient
P_(sm.mesh().lookupObject<volScalarField>(pressureFieldName_)),
partPressureName_(propsDict_.lookupOrDefault<word>("partPressureName","partP")),
partPressure_(NULL),
densityFieldName_(propsDict_.lookupOrDefault<word>("densityFieldName","rho")),
rho_(sm.mesh().lookupObject<volScalarField> (densityFieldName_)),
molarConcFieldName_(propsDict_.lookupOrDefault<word>("totalMoleFieldName","molarConc")),
molarConc_(sm.mesh().lookupObject<volScalarField>(molarConcFieldName_)),
X_(speciesNames_.size()),
diffusantGasNames_(propsDict_.lookup("diffusantGasNames")),
diffusionCoefficients_(diffusantGasNames_.size(),NULL),
Xdiffusant_(diffusantGasNames_.size()),
initialized_(false)
{
if(verbose_)
{
Info << " Reading diffusionCoefficient list: " << diffusantGasNames_ << endl;
for (int i = 0; i < diffusantGasNames_.size(); i++)
{
Info << "Diffusant names: " << diffusantGasNames_[i] << endl;
}
}
particleCloud_.checkCG(false);
allocateMyArrays();
createCoeffs();
@ -108,7 +96,8 @@ diffusionCoefficient::~diffusionCoefficient()
}
// * * * * * * * * * * * * * * * private Member Functions * * * * * * * * * * * * * //
void diffusionCoefficient::allocateMyArrays() const
void diffusionCoefficient::allocateMyArrays() const
{
double initVal=0.0;
if (particleCloud_.dataExchangeM().maxNumberOfParticles() > 0)
@ -123,14 +112,11 @@ diffusionCoefficient::~diffusionCoefficient()
void diffusionCoefficient::reAllocMyArrays() const
{
if (particleCloud_.numberOfParticlesChanged())
double initVal=0.0;
particleCloud_.dataExchangeM().allocateArray(partPressure_,initVal,1,"nparticles");
for (int i=0; i<diffusantGasNames_.size(); i++)
{
double initVal=0.0;
particleCloud_.dataExchangeM().allocateArray(partPressure_,initVal,1,"nparticles");
for (int i=0; i<diffusantGasNames_.size(); i++)
{
particleCloud_.dataExchangeM().allocateArray(diffusionCoefficients_[i],initVal,1);
}
particleCloud_.dataExchangeM().allocateArray(diffusionCoefficients_[i],initVal,1);
}
}
@ -142,15 +128,22 @@ void diffusionCoefficient::init()
volScalarField& X = const_cast<volScalarField&>
(mesh_.lookupObject<volScalarField>("X_"+speciesNames_[i]));
X_.set(i, &X);
if(verbose_)
{
Info << " Read species list from: " << specDict_.name() << endl;
Info << " Reading species list: " << speciesNames_ << endl;
Info << " Looking up species fields: " << "X_"+speciesNames_[i] << endl;
Info << "The molar fraction fields (X_i): " << X_[i].name() << nl << endl;
}
}
for (int j = 0; j < diffusantGasNames_.size(); j++)
{
volScalarField& Xdiffusant = const_cast<volScalarField&>
(mesh_.lookupObject<volScalarField>("X_"+diffusantGasNames_[j]));
Xdiffusant_.set(j, &Xdiffusant);
if (verbose_)
{
Info << " Reading diffusing gas species list: " << diffusantGasNames_ << endl;
Info << " Looking up diffusin gas species fields: " << "X_"+diffusantGasNames_[j] << endl;
Info << " The molar fraction fields (Xdiffusant_i): " << Xdiffusant_[j].name() << nl << endl;
}
}
initialized_ = true;
}
@ -168,196 +161,115 @@ void diffusionCoefficient::execute()
label cellI=0;
scalar Tfluid(0);
scalar rhofluid(0);
scalar Pfluid(0);
scalar molarConcfluid(0);
scalar Texp(0);
scalar dBinary_(0);
scalar Xnegative(0);
List<scalar> Xfluid_(0);
Xfluid_.setSize(speciesNames_.size());
List<scalar> XfluidDiffusant_(0);
XfluidDiffusant_.setSize(diffusantGasNames_.size());
List<scalar> MixtureBinaryDiffusion_;
MixtureBinaryDiffusion_.setSize(diffusantGasNames_.size());
List<scalar> TotalFraction_;
TotalFraction_.setSize(diffusantGasNames_.size());
List<scalar> TotalFraction_(diffusantGasNames_.size(),Zero);
// defining interpolators for T, rho, voidfraction, N
// defining interpolators for T and Pressure
interpolationCellPoint <scalar> TInterpolator_(tempField_);
interpolationCellPoint <scalar> rhoInterpolator_(rho_);
interpolationCellPoint <scalar> PInterpolator_(P_);
interpolationCellPoint <scalar> molarConcInterpolator_(molarConc_);
for (int index=0; index<particleCloud_.numberOfParticles(); ++index)
{
cellI=particleCloud_.cellIDs()[index][0];
cellI = particleCloud_.cellIDs()[index][0];
if (cellI >=0)
{
if(interpolation_)
{
vector position = particleCloud_.position(index);
Tfluid = TInterpolator_.interpolate(position,cellI);
rhofluid = rhoInterpolator_.interpolate(position,cellI);
Pfluid = PInterpolator_.interpolate(position,cellI);
molarConcfluid = molarConcInterpolator_.interpolate(position,cellI);
vector position = particleCloud_.position(index);
Tfluid = TInterpolator_.interpolate(position,cellI);
Pfluid = PInterpolator_.interpolate(position,cellI);
}
else
{
Tfluid = tempField_[cellI];
rhofluid = rho_[cellI];
Pfluid = P_[cellI];
molarConcfluid = molarConc_[cellI];
Tfluid = tempField_[cellI];
Pfluid = P_[cellI];
for (int i = 0; i<speciesNames_.size();i++)
for (int i = 0; i<speciesNames_.size(); i++)
{
Xfluid_[i] = X_[i][cellI];
for (int j=0; j<diffusantGasNames_.size();j++)
// total amount of negative molar fractions in the domain
// check it and then delete it
if (X_[i][cellI] < 0.0)
{
if (diffusantGasNames_[j] == speciesNames_[i])
{
XfluidDiffusant_[j] = X_[i][cellI];
}
// total amount of negative molar fractions in the domain
// check it and then delete it
scalar timestep = mesh_.time().deltaTValue();
if (Xfluid_[i] < 0.0)
{
Xnegative += Xfluid_[i]*timestep;
Info << "total negative molar fractions =" << Xnegative << endl;
}
/*if (Xfluid_[i] <= 0.) Xfluid_[i] = 0.0;
if (XfluidDiffusant_[j] <= 0.) XfluidDiffusant_[j] = 0.0;*/
if(verbose_)
{
Info << "X fluid for species " << speciesNames_[i] << " : " << Xfluid_[i] << nl << endl;
Info << "X fluid for diffusant species " << diffusantGasNames_[j] << " : " << XfluidDiffusant_[j] << nl << endl;
}
Xnegative += X_[i][cellI] * mesh_.time().deltaTValue();
Info << "total negative molar fractions = " << Xnegative << endl;
}
}
}
partPressure_[index][0] = Pfluid;
// change fluid pressure to 1 bar instead of Pa
Pfluid = Pfluid/100000.0;
Texp = Tfluid*sqrt(sqrt(Tfluid*Tfluid*Tfluid));
Pfluid = Pfluid / 100000.0;
Texp = Tfluid * sqrt(sqrt(Tfluid*Tfluid*Tfluid));
if(verbose_)
for (int j=0; j<diffusantGasNames_.size(); j++)
{
Info << "partPressure_[index][0] = " << partPressure_[index][0] << endl;
Info << "pressure field" << Pfluid << nl << endl;
Info << "T - exponent calculation" << Texp << nl << endl;
}
TotalFraction_[j] = 0.0;
dBinary_ = 0.0;
for (int i=0; i<diffusantGasNames_.size();i++)
{
MixtureBinaryDiffusion_[i] = 0.0;
TotalFraction_[i] = 0.0;
for (int j=0; j < speciesNames_.size();j++)
for (int i=0; i < speciesNames_.size(); i++)
{
// get molecular diffusion coefficients if diffusant gas and reactant gas are not equal
if (diffusantGasNames_[i] != speciesNames_[j])
if (diffusantGasNames_[j] != speciesNames_[i])
{
if(verbose_)
if (verbose_)
{
Info << "molar weights diffuser gases: " << molWeight(speciesNames_[j]) << nl << endl;
Info << "molarConc fluid: " << molarConcfluid << nl << endl;
Info << "rho fluid: " << rhofluid << nl << endl;
Info << "molar weights diffusant gases: " << molWeight(diffusantGasNames_[i]) << nl << endl;
Info << "molar weights diffuser gases: " << molWeight(speciesNames_[i]) << nl << endl;
Info << "molar weights diffusant gases: " << molWeight(diffusantGasNames_[j]) << nl << endl;
Info << "Pressure: " << Pfluid << nl << endl;
Info << "Temperature: " << Tfluid << nl << endl;
}
if(coeffs.found(diffusantGasNames_[i]) && coeffs.found(speciesNames_[j]))
if (coeffs.found(diffusantGasNames_[j]) && coeffs.found(speciesNames_[i]))
{
// Fuller-Schettler-Giddings Equation
// Unit of dBinary is [m^2/s]
// INFO:: Normally unit of dBinary is cm^2/s, but the 1st term in RHS is 10^-3 instead
// So here it is already converted
dBinary_ = 1e-7*Texp*calcMolNum(i,j)/(Pfluid*calcDiffVol(i,j));
dBinary_ = 1e-7 * Texp * calcMolNum(j,i) / (Pfluid * calcDiffVol(j,i));
if(verbose_)
if (verbose_)
{
Info << "Molecular diffusion for species " << diffusantGasNames_[i] << " in "
<< speciesNames_[j] << " is : " << dBinary_ << nl << endl;
Info << "Molar fraction of species (speciesNames)" << speciesNames_[j] << " : " << Xfluid_[j] << nl << endl;
Info << "Molar fraction of species (diffusantNames)" << diffusantGasNames_[i] << " : " << XfluidDiffusant_[i] << nl << endl;
Info << "Xfluid for " << speciesNames_[i] << " : " << X_[i][cellI] << nl << endl;
Info << "Xdiffusant for " << diffusantGasNames_[j] << " : " << Xdiffusant_[j][cellI] << nl << endl;
}
TotalFraction_[i] += Xfluid_[j]/dBinary_;
if (TotalFraction_[i] < VSMALL)
MixtureBinaryDiffusion_[i] = VSMALL;
else
MixtureBinaryDiffusion_[i] = (1.0-XfluidDiffusant_[i])/TotalFraction_[i];
TotalFraction_[j] += X_[i][cellI] / dBinary_;
if(verbose_)
{
Info << "Total fraction calculated (ratio of stag. gas to binary diffusion : " << TotalFraction_[i] << nl << endl;
Info << "Molar fraction of species diffusant gas " << diffusantGasNames_[i] << " : " << XfluidDiffusant_[i] << nl << endl;
Info << "Multicomp. mix diffusion for species " << diffusantGasNames_[i]
<< " is: " << MixtureBinaryDiffusion_[i] << nl << endl;
}
/*if (!(Xfluid_[j] <= 0.0))
{
// sum of all stagnant gases to sum of binary diffusion
TotalFraction_[i] += Xfluid_[j]/dBinary_;
// dCoeff -- diffusion component of diffusant gas
MixtureBinaryDiffusion_[i] = (1.0-XfluidDiffusant_[i])/TotalFraction_[i];
if(verbose_)
{
Info << "Total fraction calculated (ratio of stag. gas to binary diffusion : " << TotalFraction_[i] << nl << endl;
Info << "Molar fraction of species diffusant gas " << diffusantGasNames_[i] << " : " << XfluidDiffusant_[i] << nl << endl;
}
}
if(verbose_)
{
Info << "Multicomp. mix diffusion for species " << diffusantGasNames_[i]
<< " is: " << MixtureBinaryDiffusion_[i] << nl << endl;
}*/
if (verbose_)
Info << "Total Fraction = " << TotalFraction_[j] << nl << endl;
// pass on dCoeff values to array
diffusionCoefficients_[i][index][0]= MixtureBinaryDiffusion_[i];
}else
if (TotalFraction_[j] < VSMALL)
diffusionCoefficients_[j][index][0] = VSMALL;
else
diffusionCoefficients_[j][index][0] = (1.0 - Xdiffusant_[j][cellI]) / TotalFraction_[j];
}
else
{
FatalError
FatalError
<< "check tables for species diffusion volume"
<< endl
<< abort(FatalError);
}
}
}
}
}
if(verbose_)
{
for(int i =0; i<diffusantGasNames_.size();i++)
{
Info << "diffusionCoefficient of species " << diffusantGasNames_[i] << " = " << diffusionCoefficients_[i][index][0] << endl;
if(verbose_)
Info << "diffusionCoefficient of species " << diffusantGasNames_[j] << " = " << diffusionCoefficients_[j][index][0] << endl;
}
}
}
particleCloud_.dataExchangeM().giveData(partPressureName_, "scalar-atom",partPressure_);
particleCloud_.dataExchangeM().giveData(partPressureName_,"scalar-atom",partPressure_);
for (int i=0; i<diffusantGasNames_.size();i++)
for (int j=0; j<diffusantGasNames_.size(); j++)
{
word pushName = diffusantGasNames_[i] + "_diffCoeff";
particleCloud_.dataExchangeM().giveData(pushName,"scalar-atom",diffusionCoefficients_[i]);
};
word pushName = diffusantGasNames_[j] + "_diffCoeff";
particleCloud_.dataExchangeM().giveData(pushName,"scalar-atom",diffusionCoefficients_[j]);
}
Info << "give data done" << endl;
}
@ -385,10 +297,10 @@ void diffusionCoefficient::createCoeffs()
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
double diffusionCoefficient::calcDiffVol(int i, int j)
double diffusionCoefficient::calcDiffVol(int j, int i)
{
double sqrtvolDiff = coeffs(diffusantGasNames_[i])+coeffs(speciesNames_[j]);
return sqrtvolDiff*sqrtvolDiff;
double sqrtvolDiff = coeffs(diffusantGasNames_[j])+coeffs(speciesNames_[i]);
return sqrtvolDiff * sqrtvolDiff;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -408,15 +320,15 @@ void diffusionCoefficient::molWeightTable()
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// either calculate Molecular Weight addition (eq. D_ij) or consturct hashtable with diffusant and diffuser species
double diffusionCoefficient::calcMolNum(int i, int j)
double diffusionCoefficient::calcMolNum(int j, int i)
{
double molNum_ = 0.0;
double W1 = molWeight(diffusantGasNames_[i]);
double W2 = molWeight(speciesNames_[j]);
double W1 = molWeight(diffusantGasNames_[j]);
double W2 = molWeight(speciesNames_[i]);
molNum_ = (W1 + W2) / (W1 * W2);
molNum_ = sqrt(molNum_);
molNum_ = (W1 + W2) / (W1 * W2);
molNum_ = sqrt(molNum_);
return molNum_;
}

11
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.H
View File

@ -78,21 +78,14 @@ private:
mutable double **partPressure_;
word densityFieldName_;
const volScalarField& rho_;
// total mole field
word molarConcFieldName_;
const volScalarField& molarConc_;
UPtrList<volScalarField> X_;
wordList diffusantGasNames_;
mutable List<double**> diffusionCoefficients_;
UPtrList<volScalarField> Xdiffusant_;
HashTable<scalar, word> coeffs;
HashTable<scalar, word> molWeight;

16
src/lagrangian/cfdemParticle/subModels/chemistryModel/massTransferCoeff/massTransferCoeff.C
View File

@ -69,6 +69,7 @@ massTransferCoeff::massTransferCoeff
scaleDia_(1)
{
particleCloud_.checkCG(true);
allocateMyArrays();
}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
@ -95,12 +96,9 @@ void massTransferCoeff::allocateMyArrays() const
void massTransferCoeff::reAllocMyArrays() const
{
if (particleCloud_.numberOfParticlesChanged())
{
double initVal=0.0;
particleCloud_.dataExchangeM().allocateArray(partNu_,initVal,1);
particleCloud_.dataExchangeM().allocateArray(partRe_,initVal,1);
}
double initVal=0.0;
particleCloud_.dataExchangeM().allocateArray(partNu_,initVal,1);
particleCloud_.dataExchangeM().allocateArray(partRe_,initVal,1);
}
// * * * * * * * * * * * * * * * * Member Fct * * * * * * * * * * * * * * * //
@ -188,10 +186,10 @@ void massTransferCoeff::execute()
partRe_[index][0] = Rep;
}
if (verbose_ && index >=0 && index < 2)
if (verbose_)
{
Info << "Nufield = " << nuf << endl;
Info << "Rep = " << Rep << endl;
Pout << "Nufield = " << nuf << endl;
Pout << "Rep = " << Rep << endl;
}
}

58
src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.C
View File

@ -57,8 +57,64 @@ noChemistry::~noChemistry()
// * * * * * * * * * * * * * * * * Member Fct * * * * * * * * * * * * * * * //
tmp<volScalarField> noChemistry::Smi(label i) const
{
tmp<volScalarField> Smi_
(
new volScalarField
(
IOobject
(
"smi_",
particleCloud_.mesh().time().timeName(),
particleCloud_.mesh(),
IOobject::NO_READ,
IOobject::NO_WRITE
),
particleCloud_.mesh(),
dimensionedScalar
(
"zero",
dimMass/(dimVol*dimTime),
0.0
)
)
);
return Smi_;
}
tmp<volScalarField> noChemistry::Sm() const
{
tmp<volScalarField> Sm_
(
new volScalarField
(
IOobject
(
"Sm_",
particleCloud_.mesh().time().timeName(),
particleCloud_.mesh(),
IOobject::NO_READ,
IOobject::NO_WRITE
),
particleCloud_.mesh(),
dimensionedScalar
(
"zero",
dimMass/(dimVol*dimTime),
0.0
)
)
);
return Sm_;
}
void noChemistry::execute()
{}
{
//do nothing
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

4
src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.H
View File

@ -66,6 +66,10 @@ public:
void execute();
tmp <volScalarField> Smi(const label i) const;
tmp <volScalarField> Sm() const;
};

10
src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C
View File

@ -56,6 +56,7 @@ reactantPerParticle::reactantPerParticle
chemistryModel(dict,sm),
propsDict_(dict.subDict(typeName + "Props")),
mesh_(sm.mesh()),
verbose_(propsDict_.lookupOrDefault<bool>("verbose",false)),
reactantPerParticle_(NULL),
voidfractionFieldName_(propsDict_.lookupOrDefault<word>("voidfractionFieldName","voidfraction")),
voidfraction_(sm.mesh().lookupObject<volScalarField>(voidfractionFieldName_)),
@ -98,11 +99,8 @@ void reactantPerParticle::allocateMyArrays() const
void reactantPerParticle::reAllocMyArrays() const
{
if (particleCloud_.numberOfParticlesChanged())
{
double initVal=0.0;
particleCloud_.dataExchangeM().allocateArray(reactantPerParticle_,initVal,1);
}
double initVal=0.0;
particleCloud_.dataExchangeM().allocateArray(reactantPerParticle_,initVal,1);
}
// * * * * * * * * * * * * * * * * Member Fct * * * * * * * * * * * * * * * //
@ -145,6 +143,8 @@ void reactantPerParticle::execute()
particlesPerCell= particlesPerCell_[cellI];
reactantPerParticle_[index][0] = voidfraction * cellvolume / particlesPerCell;
}
if (verbose_) Info << "reactantPerParticle_" << reactantPerParticle_[index][0] << endl;
}
// give DEM data

2
src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.H
View File

@ -54,6 +54,8 @@ private:
const fvMesh& mesh_;
bool verbose_;
mutable double **reactantPerParticle_;
word voidfractionFieldName_;

99
src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C
View File

@ -69,7 +69,7 @@ species::species
// create a list from the Species table in the specified species dictionary
speciesNames_(specDict_.lookup("species")),
mod_spec_names_(speciesNames_.size()),
X_(speciesNames_.size()), //volumeScalarFields
X_(speciesNames_.size()), //volumeScalarFields of molarFractions
molarFractions_(speciesNames_.size(),NULL), //the value of molar fractions for every species
changeOfSpeciesMass_(speciesNames_.size(),NULL), //the values that are received from DEM with the name of Modified_+species name
changeOfSpeciesMassFields_(speciesNames_.size()), //the scalar fields generated with the values from Modified_+species names
@ -125,6 +125,7 @@ species::~species()
}
// * * * * * * * * * * * * * * * private Member Functions * * * * * * * * * * * * * //
void species::allocateMyArrays() const
{
double initVal=0.0;
@ -139,25 +140,21 @@ void species::allocateMyArrays() const
{
particleCloud_.dataExchangeM().allocateArray(molarFractions_[i],initVal,1,"nparticles");
particleCloud_.dataExchangeM().allocateArray(changeOfSpeciesMass_[i],initVal,1,"nparticles");
}
}
}
void species::reAllocMyArrays() const
{
if (particleCloud_.numberOfParticlesChanged())
{
double initVal=0.0;
particleCloud_.dataExchangeM().allocateArray(partRho_,initVal,1);
particleCloud_.dataExchangeM().allocateArray(partTemp_,initVal,1);
particleCloud_.dataExchangeM().allocateArray(partMolarConc_,initVal,1);
double initVal=0.0;
particleCloud_.dataExchangeM().allocateArray(partRho_,initVal,1);
particleCloud_.dataExchangeM().allocateArray(partTemp_,initVal,1);
particleCloud_.dataExchangeM().allocateArray(partMolarConc_,initVal,1);
for (int i=0; i<speciesNames_.size(); i++)
{
particleCloud_.dataExchangeM().allocateArray(molarFractions_[i],initVal,1);
particleCloud_.dataExchangeM().allocateArray(changeOfSpeciesMass_[i],initVal,1);
}
for (int i=0; i<speciesNames_.size(); i++)
{
particleCloud_.dataExchangeM().allocateArray(molarFractions_[i],initVal,1);
particleCloud_.dataExchangeM().allocateArray(changeOfSpeciesMass_[i],initVal,1);
}
}
@ -169,7 +166,6 @@ void species::init()
Info << " Reading species list: " << speciesNames_ << endl;
}
for (int i=0; i<speciesNames_.size(); i++)
{
// Define the Species volume scalar fields
@ -182,13 +178,12 @@ void species::init()
if(verbose_)
{
Info << " Looking up species fields \n " << "X_"+speciesNames_[i] << endl;
Info << "The molar fraction fields (X_i): \n" << X_[i].name() << endl;
// Check if mod species are correct
Info << "Modified species names are: \n" << mod_spec_names_[i] << endl;
}
// Create new volScalarFields for the changed values of the species mass fields
// Create new volScalarFields for the changed values of the species mass fields -- gas species source term
changeOfSpeciesMassFields_.set
(
i,
@ -196,7 +191,7 @@ void species::init()
(
IOobject
(
"ModSpeciesMassField_"+X_[i].name(),
"TotalChangeOfMassField_"+speciesNames_[i],
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
@ -205,7 +200,7 @@ void species::init()
mesh_,
dimensionedScalar("zero",dimMass/(dimVol*dimTime), 0.0)
)
);
);
}
initialized_ = true;
}
@ -228,12 +223,10 @@ void species::execute()
reAllocMyArrays();
// get X_i, T, rho at particle positions
label cellI=0;
label cellI = 0;
scalar Tfluid(0);
scalar rhofluid(0);
List<scalar> Xfluid_;
scalar voidfraction(1);
Xfluid_.setSize(speciesNames_.size());
scalar molarConcfluid(0);
// defining interpolators for T, rho, voidfraction, molarConc
@ -250,53 +243,49 @@ void species::execute()
{
if(interpolation_)
{
vector position = particleCloud_.position(index);
Tfluid = TInterpolator_.interpolate(position,cellI);
rhofluid = rhoInterpolator_.interpolate(position,cellI);
voidfraction = voidfractionInterpolator_.interpolate(position,cellI);
molarConcfluid = molarConcInterpolator_.interpolate(position,cellI);
vector position = particleCloud_.position(index);
Tfluid = TInterpolator_.interpolate(position,cellI);
rhofluid = rhoInterpolator_.interpolate(position,cellI);
voidfraction = voidfractionInterpolator_.interpolate(position,cellI);
molarConcfluid = molarConcInterpolator_.interpolate(position,cellI);
}
else
{
Tfluid = tempField_[cellI];
rhofluid = rho_[cellI];
voidfraction = voidfraction_[cellI];
molarConcfluid = molarConc_[cellI];
for (int i = 0; i<speciesNames_.size();i++)
{
Xfluid_[i] = X_[i][cellI];
// if(Xfluid_[i] < 0.0) Xfluid_[i] = 0.0;
}
Tfluid = tempField_[cellI];
rhofluid = rho_[cellI];
voidfraction = voidfraction_[cellI];
molarConcfluid = molarConc_[cellI];
}
partTemp_[index][0] = Tfluid;
partRho_[index][0] = rhofluid;
partMolarConc_[index][0] = molarConcfluid;
partTemp_[index][0] = Tfluid;
partRho_[index][0] = rhofluid;
partMolarConc_[index][0] = molarConcfluid;
for (int i=0; i<speciesNames_.size();i++)
{
// attention for indices when not communicating all species
molarFractions_[i][index][0]=Xfluid_[i];
molarFractions_[i][index][0] = X_[i][cellI];
}
}
}
if(verbose_)
{
for(int i =0; i<speciesNames_.size();i++)
for(int i =0; i<speciesNames_.size(); i++)
{
Info << "X_i = " << X_[i].name() << endl;
Info << "molarFractions_= " << molarFractions_[i][0][0] << endl;
Info << "partRho_[index][0] = " << partRho_[0][0] << endl;
Info << "rhofluid =" << rhofluid << endl;
Info << "Xfluid = " << Xfluid_[i] << endl;
Info << "rhofluid = " << rhofluid << endl;
Info << "partTemp_[index][0] = " << partTemp_[0][0] << endl;
Info << "Tfluid = " << Tfluid << endl ;
Info << "voidfraction =" << voidfraction << endl;
Info << "Tfluid = " << Tfluid << endl;
Info << "voidfraction = " << voidfraction << endl;
}
}
// give DEM data
// give DEM data
{
particleCloud_.dataExchangeM().giveData(partTempName_, "scalar-atom", partTemp_);
particleCloud_.dataExchangeM().giveData(partRhoName_, "scalar-atom", partRho_);
particleCloud_.dataExchangeM().giveData(partMolarConcName_, "scalar-atom", partMolarConc_);
@ -304,19 +293,25 @@ void species::execute()
for (int i=0; i<speciesNames_.size();i++)
{
particleCloud_.dataExchangeM().giveData("X_"+speciesNames_[i],"scalar-atom",molarFractions_[i]);
};
}
Info << "give data done" << endl;
if (verbose_) Info << "give data done" << endl;
}
// pull changeOfSpeciesMass_, transform onto fields changeOfSpeciesMassFields_, add them up on changeOfGasMassField_
// pull changeOfSpeciesMass_, transform onto fields changeOfSpeciesMassFields_, add them up on changeOfGasMassField_
{
scalar timestep = mesh_.time().deltaTValue();
changeOfGasMassField_.primitiveFieldRef() = 0.0;
changeOfGasMassField_.boundaryFieldRef() = 0.0;
for (int i=0; i<speciesNames_.size();i++)
{
particleCloud_.dataExchangeM().getData(mod_spec_names_[i],"scalar-atom",changeOfSpeciesMass_[i]);
changeOfSpeciesMassFields_[i].primitiveFieldRef() = 0.0;
changeOfSpeciesMassFields_[i].boundaryFieldRef() = 0.0;
particleCloud_.dataExchangeM().getData(mod_spec_names_[i],"scalar-atom",changeOfSpeciesMass_[i],particleCloud_.dataExchangeM().couplingInterval());
if (verbose_) Info << "changeOfSpeciesMass received from DEM = " << changeOfSpeciesMass_[i][0][0] << endl;
particleCloud_.averagingM().setScalarSumCentre
(
changeOfSpeciesMassFields_[i],
@ -330,18 +325,22 @@ void species::execute()
changeOfSpeciesMassFields_[i].primitiveFieldRef() /= (changeOfSpeciesMassFields_[i].mesh().V() * Nevery_ * timestep);
changeOfSpeciesMassFields_[i].correctBoundaryConditions();
changeOfGasMassField_ += changeOfSpeciesMassFields_[i];
if (verbose_)
{
Info << "total conversion of species" << speciesNames_[i] << " = " << gSum(changeOfSpeciesMassFields_[i]*1.0*changeOfSpeciesMassFields_[i].mesh().V() * Nevery_ * timestep) << endl;
Info << "total conversion of species" << speciesNames_[i] << " = "
<< gSum(changeOfSpeciesMassFields_[i]*1.0*changeOfSpeciesMassFields_[i].mesh().V() * Nevery_ * timestep) << endl;
}
}
massSourceCurr_ = gSum(changeOfGasMassField_*1.0*changeOfGasMassField_.mesh().V() * Nevery_ * timestep);
massSourceTot_ += massSourceCurr_;
if (verbose_)
{
Info << "total conversion of mass:\n\tcurrent source = " << massSourceCurr_ << "\n\ttotal source = " << massSourceTot_ << "\n" << endl;
Info << "get data done" << endl;
}
}
}
tmp<volScalarField> species::Smi (const label i) const

5
src/lagrangian/cfdemParticle/subModels/dataExchangeModel/dataExchangeModel/dataExchangeModel.C
View File

@ -202,7 +202,7 @@ bool dataExchangeModel::couple(int i)
scalar dataExchangeModel::timeStepFraction() const
{
//return fraction between previous coupling TS and actual TS
return ( particleCloud_.mesh().time().value()-particleCloud_.mesh().time().startTime().value() - (couplingStep_-1) * couplingTime() ) / couplingTime();
return clamp( (particleCloud_.mesh().time().timeIndex() - timeIndexOffset_) * particleCloud_.mesh().time().deltaTValue() / couplingTime() - (couplingStep_ - 1) );
}
int dataExchangeModel::getNumberOfParticles() const
@ -242,7 +242,8 @@ dataExchangeModel::dataExchangeModel
maxNumberOfParticles_(0),
couplingStep_(0),
DEMts_(-1.),
couplingInterval_(readScalar(dict_.lookup("couplingInterval")))
couplingInterval_(readScalar(dict_.lookup("couplingInterval"))),
timeIndexOffset_(particleCloud_.mesh().time().timeIndex())
{}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //

45
src/lagrangian/cfdemParticle/subModels/dataExchangeModel/dataExchangeModel/dataExchangeModel.H
View File

@ -68,8 +68,16 @@ protected:
int couplingInterval_;
const label timeIndexOffset_;
// Protected member functions
// note: C++17 has std::clamp
scalar clamp(scalar v, scalar lo=0.0, scalar hi=1.0) const
{
return ((v < lo) ? lo : (hi < v) ? hi : v);
}
public:
//- Runtime type information
@ -185,38 +193,40 @@ public:
inline int couplingInterval() const { return couplingInterval_; }
inline scalar couplingTime() const { return couplingInterval_*DEMts_; }
inline scalar couplingTime() const { return couplingInterval_ * DEMts_; }
inline scalar TSstart() const { return particleCloud_.mesh().time().startTime().value()
+ (couplingStep_-1) * couplingTime(); }
inline scalar TSend() const { return particleCloud_.mesh().time().startTime().value()
+ (couplingStep_) * couplingTime(); }
inline scalar TSend() const { return particleCloud_.mesh().time().startTime().value()
+ (couplingStep_ ) * couplingTime(); }
inline int DEMstepsTillT(scalar t) const { return (t - (particleCloud_.mesh().time().value() - couplingTime()) + SMALL) / DEMts_; }
inline int DEMstepsTillT(scalar t) const { return (t - (particleCloud_.mesh().time().value() - couplingTime()) + SMALL) / DEMts_; }
inline void checkTSsize() const
{
if (particleCloud_.mesh().time().deltaT().value() > couplingInterval_ * DEMts_ + SMALL)
if (particleCloud_.mesh().time().deltaTValue() > couplingInterval_ * DEMts_ + SMALL)
{
Info << "particleCloud_.mesh().time().deltaT().value() = " << particleCloud_.mesh().time().deltaT().value() << endl;
Info << "particleCloud_.mesh().time().deltaTValue() = " << particleCloud_.mesh().time().deltaTValue() << endl;
Info << "couplingInterval_ = " << couplingInterval_ << endl;
Info << "DEMts_ = " << DEMts_ << endl;
FatalError << "\nError - CFD time-step bigger than coupling time (= DEM time step * coupling interval)!\n" << abort(FatalError);
}
if (std::fabs((round(couplingTime()/particleCloud_.mesh().time().deltaT().value())*particleCloud_.mesh().time().deltaT().value())-couplingTime()) > SMALL)
if (std::fabs((round(couplingTime()/particleCloud_.mesh().time().deltaTValue()) * particleCloud_.mesh().time().deltaTValue()) - couplingTime()) > SMALL)
{
Info << "particleCloud_.mesh().time().deltaT().value() = " << particleCloud_.mesh().time().deltaT().value() << endl;
Info << "particleCloud_.mesh().time().deltaTValue() = " << particleCloud_.mesh().time().deltaTValue() << endl;
Info << "couplingInterval_ = " << couplingInterval_ << endl;
Info << "DEMts_ = " << DEMts_ << endl;
Warning << "\nWarning - Coupling time (= DEM time step * coupling interval) is not a multiple of CFD time-step!\n" << endl;
Warning << "\nWarning - Coupling time (= DEM time step * coupling interval) is not a multiple of CFD time-step!\n" << endl;
}
if (!particleCloud_.allowCFDsubTimestep())
if (particleCloud_.mesh().time().deltaT().value() < couplingInterval_ * DEMts_ + SMALL)
if (particleCloud_.mesh().time().deltaTValue() < couplingInterval_ * DEMts_ + SMALL)
FatalError << "\nYour models require: CFD time-step = coupling interval (= DEM time step * coupling interval)! \n" << abort(FatalError);
// warn if sub-TS
if (particleCloud_.mesh().time().deltaT().value() < couplingTime() - SMALL)
if (particleCloud_.mesh().time().deltaTValue() < couplingTime() - SMALL)
Warning << "You are using sub-time-steps (i.e. CFD TS < coupling time)! Check your settings properly." << endl;
}
@ -228,15 +238,10 @@ public:
inline bool doCoupleNow() const
{
if (particleCloud_.mesh().time().value()-particleCloud_.mesh().time().startTime().value()-SMALL
> couplingStep_*DEMts_*couplingInterval_)
{
return true;
}
else
{
return false;
}
return ( (particleCloud_.mesh().time().timeIndex() - timeIndexOffset_) * particleCloud_.mesh().time().deltaTValue() - SMALL
>
couplingStep_ * DEMts_ * couplingInterval_
);
}
virtual int getNumberOfParticles() const;

18
src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayMPI/twoWayMPI.C
View File

@ -29,13 +29,17 @@ Description
and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
\*---------------------------------------------------------------------------*/
#include "error.H"
#include "twoWayMPI.H"
#include "addToRunTimeSelectionTable.H"
#include "OFstream.H"
#include "clockModel.H"
#include "pair.h"
#include "force.h"
#include "forceModel.H"
#include "liggghtsCommandModel.H"
//LAMMPS/LIGGGHTS
#include <input.h>
#include <library_cfd_coupling.h>
#include <update.h>
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
@ -66,7 +70,7 @@ twoWayMPI::twoWayMPI
propsDict_(dict.subDict(typeName + "Props")),
lmp(NULL)
{
Info<<"Starting up LIGGGHTS for first time execution"<<endl;
Info << "Starting up LIGGGHTS for first time execution" << endl;
MPI_Comm_dup(MPI_COMM_WORLD, &comm_liggghts);
@ -74,8 +78,8 @@ twoWayMPI::twoWayMPI
const fileName liggghtsPath(propsDict_.lookup("liggghtsPath"));
// open LIGGGHTS input script
Info<<"Executing input script '"<< liggghtsPath.c_str() <<"'"<<endl;
lmp = new LAMMPS_NS::LAMMPS(0,NULL,comm_liggghts);
Info << "Executing input script '" << liggghtsPath.c_str() << "'" << endl;
lmp = new LAMMPS_NS::LAMMPS(0, NULL, comm_liggghts);
lmp->input->file(liggghtsPath.c_str());
// get DEM time step size

20
src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayMPI/twoWayMPI.H
View File

@ -41,27 +41,15 @@ SourceFiles
#ifndef twoWayMPI_H
#define twoWayMPI_H
#include <mpi.h>
#include "dataExchangeModel.H"
#include "liggghtsCommandModel.H"
#include "OFstream.H"
#include <sys/stat.h>
#include "pair.h"
#include "force.h"
#include "forceModel.H"
//=================================//
//LAMMPS/LIGGGHTS
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <mpi.h>
#include <lammps.h> // these are LAMMPS include files
#include <input.h>
#include <atom.h>
#include <library.h>
#include <error.h>
#include <library_cfd_coupling.h>
#include <update.h>
#include <pair.h>
#include <force.h>
//=================================//
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

86
src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayOne2One/twoWayOne2One.C
View File

@ -33,13 +33,19 @@ Contributing authors
\*---------------------------------------------------------------------------*/
#include "twoWayOne2One.H"
#include "addToRunTimeSelectionTable.H"
#include "OFstream.H"
#include "clockModel.H"
#include "pair.h"
#include "force.h"
#include "forceModel.H"
#include "liggghtsCommandModel.H"
//LAMMPS/LIGGGHTS
#include <atom.h>
#include <input.h>
#include <library.h>
#include <library_cfd_coupling.h>
#include <memory_ns.h>
#include <update.h>
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -82,7 +88,10 @@ twoWayOne2One::twoWayOne2One
foam2lig_scl_tmp_(nullptr),
staticProcMap_(propsDict_.lookupOrDefault<Switch>("useStaticProcMap", false)),
cellIdComm_(propsDict_.lookupOrDefault<Switch>("useCellIdComm", false)),
prev_cell_ids_(nullptr),
dbl_cell_ids_(nullptr),
my_prev_cell_ids_fix_(nullptr),
boundBoxMargin_(propsDict_.lookupOrDefault("boundingBoxMargin", 0.)),
verbose_(propsDict_.lookupOrDefault("verbose", false)),
lmp(nullptr)
{
@ -120,6 +129,22 @@ twoWayOne2One::twoWayOne2One
tmpBoundaryFaces.localPoints()
);
thisFoamBox_ = treeBoundBox(boundaryFaces.localPoints());
if (boundBoxMargin_ > 0.)
{
thisFoamBox_.max() = thisFoamBox_.max() + boundBoxMargin_ * vector::one;
thisFoamBox_.min() = thisFoamBox_.min() - boundBoxMargin_ * vector::one;
Info<< "twoWayOne2One: Inflating bounding boxes by "
<< boundBoxMargin_ << "."
<< endl;
}
else if (boundBoxMargin_ < 0.)
{
FatalError
<< "twoWayOne2One: Bound box margin cannot be smaller than 0."
<< abort(FatalError);
}
if (staticProcMap_)
{
createProcMap();
@ -158,6 +183,11 @@ void twoWayOne2One::createProcMap()
point(ligbb[0][0], ligbb[0][1], ligbb[0][2]),
point(ligbb[1][0], ligbb[1][1], ligbb[1][2])
);
if (boundBoxMargin_ > 0.)
{
thisLigBox.max() = thisLigBox.max() + boundBoxMargin_ * vector::one;
thisLigBox.min() = thisLigBox.min() - boundBoxMargin_ * vector::one;
}
ligBoxes[Pstream::myProcNo()] = thisLigBox;
Pstream::gatherList(ligBoxes);
Pstream::scatterList(ligBoxes);
@ -209,6 +239,9 @@ twoWayOne2One::~twoWayOne2One()
destroy(foam2lig_vec_tmp_);
destroy(foam2lig_scl_tmp_);
destroy(prev_cell_ids_);
destroy(dbl_cell_ids_);
delete lmp;
}
@ -408,7 +441,7 @@ void twoWayOne2One::allocateArray
) const
{
int len = max(length,1);
lmp->memory->grow(array, len, width, "o2o:dbl**");
LAMMPS_MEMORY_NS::grow(array, len, width);
for (int i = 0; i < len; i++)
for (int j = 0; j < width; j++)
array[i][j] = initVal;
@ -423,7 +456,7 @@ void twoWayOne2One::allocateArray
) const
{
int len = max(particleCloud_.numberOfParticles(),1);
lmp->memory->grow(array, len, width, "o2o:dbl**:autolen");
LAMMPS_MEMORY_NS::grow(array, len, width);
for (int i = 0; i < len; i++)
for (int j = 0; j < width; j++)
array[i][j] = initVal;
@ -431,7 +464,7 @@ void twoWayOne2One::allocateArray
void inline twoWayOne2One::destroy(double** array,int len) const
{
lmp->memory->destroy(array);
LAMMPS_MEMORY_NS::destroy(array);
}
//============
@ -445,7 +478,7 @@ void twoWayOne2One::allocateArray
) const
{
int len = max(length,1);
lmp->memory->grow(array, len, width, "o2o:int**");
LAMMPS_MEMORY_NS::grow(array, len, width);
for (int i = 0; i < len; i++)
for (int j = 0; j < width; j++)
array[i][j] = initVal;
@ -460,7 +493,7 @@ void twoWayOne2One::allocateArray
) const
{
int len = max(particleCloud_.numberOfParticles(),1);
lmp->memory->grow(array, len, width, "o2o:int**:autolen");
LAMMPS_MEMORY_NS::grow(array, len, width);
for (int i = 0; i < len; i++)
for (int j = 0; j < width; j++)
array[i][j] = initVal;
@ -468,7 +501,7 @@ void twoWayOne2One::allocateArray
void inline twoWayOne2One::destroy(int** array,int len) const
{
lmp->memory->destroy(array);
LAMMPS_MEMORY_NS::destroy(array);
}
//============
@ -476,14 +509,14 @@ void inline twoWayOne2One::destroy(int** array,int len) const
void twoWayOne2One::allocateArray(double*& array, double initVal, int length) const
{
int len = max(length,1);
lmp->memory->grow(array, len, "o2o:dbl*");
LAMMPS_MEMORY_NS::grow(array, len);
for (int i = 0; i < len; i++)
array[i] = initVal;
}
void inline twoWayOne2One::destroy(double* array) const
{
lmp->memory->destroy(array);
LAMMPS_MEMORY_NS::destroy(array);
}
//==============
@ -491,14 +524,14 @@ void inline twoWayOne2One::destroy(double* array) const
void twoWayOne2One::allocateArray(int*& array, int initVal, int length) const
{
int len = max(length,1);
lmp->memory->grow(array, len, "o2o:int*");
LAMMPS_MEMORY_NS::grow(array, len);
for (int i = 0; i < len; i++)
array[i] = initVal;
}
void inline twoWayOne2One::destroy(int* array) const
{
lmp->memory->destroy(array);
LAMMPS_MEMORY_NS::destroy(array);
}
//==============
@ -646,6 +679,7 @@ bool twoWayOne2One::couple(int i)
particleCloud_.clockM().stop("LIGGGHTS");
Info<< "LIGGGHTS finished" << endl;
particleCloud_.clockM().start(4,"One2One_setup");
if (!staticProcMap_)
{
createProcMap();
@ -656,6 +690,7 @@ bool twoWayOne2One::couple(int i)
locateParticles();
setupFoam2LigCommunication();
particleCloud_.clockM().stop("One2One_setup");
if (verbose_)
{
@ -730,12 +765,11 @@ void twoWayOne2One::locateParticles()
destroy(my_flattened_positions);
double* my_prev_cell_ids = nullptr;
double* prev_cell_ids = nullptr;
if (cellIdComm_)
{
my_prev_cell_ids = my_prev_cell_ids_fix_->vector_atom;
allocateArray(prev_cell_ids, -1, lig2foam_->ncollected_);
lig2foam_->exchange(my_prev_cell_ids, prev_cell_ids);
allocateArray(prev_cell_ids_, -1, lig2foam_->ncollected_);
lig2foam_->exchange(my_prev_cell_ids, prev_cell_ids_);
}
if (lig2foam_mask_)
@ -767,7 +801,7 @@ void twoWayOne2One::locateParticles()
position,
cellIdComm_
? // don't know whether using round is efficient
(roundedCelli = round(prev_cell_ids[atomi])) < nCells
(roundedCelli = round(prev_cell_ids_[atomi])) < nCells
?
roundedCelli
:
@ -784,10 +818,6 @@ void twoWayOne2One::locateParticles()
cellIds.append(cellI);
}
}
if (cellIdComm_)
{
destroy(prev_cell_ids);
}
particleCloud_.setNumberOfParticles(n_located);
particleCloud_.reAllocArrays();
@ -817,7 +847,7 @@ void twoWayOne2One::locateParticles()
3
);
particleCloud_.setPositions(getNumberOfParticles(), extracted_flattened_positions);
destroy(extracted_flattened_positions);
delete [] extracted_flattened_positions;
destroy(collected_flattened_positions);
particleCloud_.setCellIDs(cellIds);
@ -871,14 +901,12 @@ void twoWayOne2One::setupFoam2LigCommunication()
if (cellIdComm_)
{
double** dbl_cell_ids = new double*[getNumberOfParticles()];
allocateArray(dbl_cell_ids_, -1, 1);
for (int atomi = 0; atomi < getNumberOfParticles(); atomi++)
{ // TEMPORARY: if this persists after 19.07.2018, call me.
dbl_cell_ids[atomi] = new double[1];
dbl_cell_ids[atomi][0] = particleCloud_.cellIDs()[atomi][0];
{
dbl_cell_ids_[atomi][0] = particleCloud_.cellIDs()[atomi][0];
}
giveData("prev_cell_ids", "scalar-atom", dbl_cell_ids, "double");
delete [] dbl_cell_ids;
giveData("prev_cell_ids", "scalar-atom", dbl_cell_ids_, "double");
}
}

34
src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayOne2One/twoWayOne2One.H
View File

@ -45,33 +45,19 @@ Contributing authors
#ifndef twoWayOne2One_H
#define twoWayOne2One_H
#include <mpi.h>
#include "dataExchangeModel.H"
#include "liggghtsCommandModel.H"
#include "OFstream.H"
#include <sys/stat.h>
#include "pair.h"
#include "force.h"
#include "forceModel.H"
#include "one2one.H"
#include "meshSearch.H"
#include <treeBoundBox.H>
//=================================//
//LAMMPS/LIGGGHTS
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <mpi.h>
#include <lammps.h> // these are LAMMPS include files
#include <input.h>
#include <atom.h>
#include <memory.h>
#include <library.h>
#include <library_cfd_coupling.h>
#include <update.h>
#include <comm.h>
#include <fix.h>
#include <fix_property_atom.h>
#include <lammps.h> // these are LAMMPS include files
#include <pair.h>
#include <force.h>
#include <fix_property_atom.h> /// needed
//=================================//
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -115,9 +101,13 @@ private:
Switch staticProcMap_;
Switch cellIdComm_;
double* prev_cell_ids_;
double** dbl_cell_ids_;
LAMMPS_NS::FixPropertyAtom* my_prev_cell_ids_fix_;
treeBoundBox thisFoamBox_;
const scalar boundBoxMargin_;
treeBoundBox thisFoamBox_;
Switch verbose_;

45
src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C
View File

@ -242,6 +242,12 @@ void heatTransferGunn::calcEnergyContribution()
// get DEM data
particleCloud_.dataExchangeM().getData(partTempName_,"scalar-atom",partTemp_);
if(particleCloud_.cg() > 1.)
{
scaleDia_ = particleCloud_.cg();
Info << "Heat Transfer Gunn is using scale from liggghts cg = " << scaleDia_ << endl;
}
if(calcPartTempField_)
{
partTempField_.primitiveFieldRef() = 0.0;
@ -353,18 +359,24 @@ void heatTransferGunn::calcEnergyContribution()
partNu_[index][0] = Nup;
}
if(particleCloud_.verbose() && index >=0 && index <2)
if(verbose_ && index >=0 && index <2)
{
Info << "partHeatFlux = " << partHeatFlux_[index][0] << endl;
Info << "magUr = " << magUr << endl;
Info << "As = " << As << endl;
Info << "muf = " << muf << endl;
Info << "Rep = " << Rep << endl;
Info << "Pr = " << Pr << endl;
Info << "Nup = " << Nup << endl;
Info << "voidfraction = " << voidfraction << endl;
Info << "partTemp_[index][0] = " << partTemp_[index][0] << endl;
Info << "Tfluid = " << Tfluid << endl ;
Pout << "partHeatFlux = " << partHeatFlux_[index][0] << endl;
Pout << "magUr = " << magUr << endl;
Pout << "kf0 = " << kf0_ << endl;
Pout << "Cp = " << Cp_ << endl;
Pout << "rho = " << rho_[cellI] << endl;
Pout << "h = " << h << endl;
Pout << "ds = " << ds << endl;
Pout << "ds_scaled = " << ds_scaled << endl;
Pout << "As = " << As << endl;
Pout << "muf = " << muf << endl;
Pout << "Rep = " << Rep << endl;
Pout << "Pr = " << Pr << endl;
Pout << "Nup = " << Nup << endl;
Pout << "voidfraction = " << voidfraction << endl;
Pout << "partTemp_[index][0] = " << partTemp_[index][0] << endl;
Pout << "Tfluid = " << Tfluid << endl ;
}
}
}
@ -444,6 +456,13 @@ void heatTransferGunn::calcEnergyContribution()
}
QPartFluid_.correctBoundaryConditions();
volScalarField minParticleWeights = particleCloud_.averagingM().UsWeightField();
Info << "Minimum Particle Weight " << gMin(minParticleWeights) << endl;
Info << "Minimum Particle Temperature: " << gMin(partTempField_) << endl;
Info << "Maximum Particle Temperature: " << gMax(partTempField_) << endl;
Info << "Minimum Fluid Temperature: " << gMin(tempField_) << endl;
Info << "Maximum Fluid Temperature: " << gMax(tempField_) << endl;
}
void heatTransferGunn::addEnergyContribution(volScalarField& Qsource) const
@ -451,11 +470,11 @@ void heatTransferGunn::addEnergyContribution(volScalarField& Qsource) const
Qsource += QPartFluid_;
}
void heatTransferGunn::addEnergyCoefficient(volScalarField& Qsource) const
void heatTransferGunn::addEnergyCoefficient(volScalarField& Qcoeff) const
{
if(implicit_)
{
Qsource += QPartFluidCoeff_;
Qcoeff += QPartFluidCoeff_;
}
}

9
src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.C
View File

@ -46,6 +46,7 @@ reactionHeat::reactionHeat
energyModel(dict,sm),
propsDict_(dict.subDict(typeName + "Props")),
interpolation_(propsDict_.lookupOrDefault<bool>("interpolation",false)),
verbose_(propsDict_.lookupOrDefault<bool>("verbose",false)),
mesh_(sm.mesh()),
maxSource_(1e30),
reactionHeatName_(propsDict_.lookupOrDefault<word>("reactionHeatName","reactionHeat")),
@ -98,6 +99,14 @@ void reactionHeat::calcEnergyContribution()
particleCloud_.dataExchangeM().getData(reactionHeatName_,"scalar-atom",reactionHeat_);
for(int index = 0;index < particleCloud_.numberOfParticles(); ++index)
{
if (verbose_ && index>=0 && index < 2)
{
Pout << "reactionHeat = " << reactionHeat_[index][0] << endl;
}
}
reactionHeatField_.primitiveFieldRef() = 0.0;
reactionHeatField_.boundaryFieldRef() = 0.0;

2
src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.H
View File

@ -48,6 +48,8 @@ protected:
bool interpolation_;
bool verbose_;
const fvMesh& mesh_;
scalar maxSource_;

1
src/lagrangian/cfdemParticle/subModels/forceModel/BeetstraDrag/BeetstraDrag.C
View File

@ -148,6 +148,7 @@ void BeetstraDrag::setForce() const
else if (particleCloud_.cg() > 1)
{
scaleDia_=particleCloud_.cg();
typeCG_[0] = scaleDia_;
Info << "Beetstra using scale from liggghts cg = " << scaleDia_ << endl;
}

11
src/lagrangian/cfdemParticle/subModels/forceModel/BeetstraDrag/BeetstraDrag.H
View File

@ -17,6 +17,11 @@ Description
drag law for monodisperse systems according to
Beetstra et al. AIChE J 53.2 (2007)
Reference
R. Beetstra, M.A. van der Hoef, J.A.M. Kuipers
"Drag force of intermediate Reynolds number flow past mono- and bidisperse arrays of spheres"
AIChE Journal, 53 (2007)
SourceFiles
BeetstraDrag.C
\*---------------------------------------------------------------------------*/
@ -61,7 +66,7 @@ protected:
mutable scalar scaleDia_;
scalarList typeCG_;
mutable scalarList typeCG_;
mutable scalar scaleDrag_;
@ -86,12 +91,12 @@ protected:
virtual void adaptVoidfraction(double&, label) const {}
virtual scalar effDiameter(double d, label cellI, label index) const {return d;}
virtual scalar meanSauterDiameter(double d, label cellI) const {return d;}
double F(double, double) const;
double terminalVelocity(double, double, double, double, double, double) const;
double terminalVelocity(double, double, double, double, double, double) const;
double a(double) const;

5
src/lagrangian/cfdemParticle/subModels/forceModel/GidaspowDrag/GidaspowDrag.H
View File

@ -34,6 +34,11 @@ Description
- splits off explicit drag component due to fluctuation in fluid and particle
velocity (optional via forceSubModel "ImExCorr")
Reference
D. Gidaspow
"Multiphase flow and fluidization: Continuum and kinetic theory description",
1994
Class
GidaspowDrag

1
src/lagrangian/cfdemParticle/subModels/forceModel/forceSubModels/forceSubModel/forceSubModel.H
View File

@ -82,6 +82,7 @@ protected:
List<Switch> switchesList_; // switches which are requested from dict
// a Switch is set to false in the default Switch constructor
List<Switch> switches_; // switch status
mutable volScalarField nu_;

6
src/lagrangian/cfdemParticle/subModels/forceModel/interface/interface.H
View File

@ -28,6 +28,12 @@ Description
This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
Reference
G. Wierink, C. Goniva, B. Niceno, K. Heiskanen,
"Mechanistic Modelling of Particle-Interface Interaction in Three-Phase Flows",
Proc. of the 8th Int. Conf. on CFD in Oil and Gas, Metallurgical and Process Industries,
Trondheim, 2011
Class
interface

9
src/lagrangian/cfdemParticle/subModels/forceModel/virtualMassForce/virtualMassForce.H
View File

@ -28,6 +28,10 @@ Description
This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
Reference
Crowe, Clayton T.; Sommerfeld, Martin; Tsuji, Yutaka (1998).
"Multiphase flows with droplets and particles"
Class
virtualMassForce
@ -69,11 +73,10 @@ private:
mutable double **UrelOld_;
const bool splitUrelCalculation_; //indicator to split calculation of Urel between CFDEM and LIGGGHTS
const bool splitUrelCalculation_; //indicator to split calculation of Urel between CFDEM and LIGGGHTS
//requires the integration fix to take dv/dt into account!
mutable double Cadd_; //indicator to split calculation of Urel between CFDEM and LIGGGHTS
//requires the integration fix to take dv/dt into account!
mutable double Cadd_; //virtual mass constant
public:

2
src/lagrangian/cfdemParticle/subModels/liggghtsCommandModel/execute/execute.C
View File

@ -100,7 +100,7 @@ execute::execute
parseCommandList(commandList_, labelList_, scalarList_, command_, propsDict_, timeStamp_);
Info << "liggghtsCommand " << command_ << endl;
strCommand_ = string(command_);
strCommand_ = command_;
checkTimeMode(propsDict_);

2
src/lagrangian/cfdemParticle/subModels/liggghtsCommandModel/liggghtsCommandModel/newLiggghtsCommandModel.C
View File

@ -50,7 +50,7 @@ autoPtr<liggghtsCommandModel> liggghtsCommandModel::New
)
{
Info<< "Selecting liggghtsCommandModel "
<< liggghtsCommandType << " ,provide dicts, numbered from 0 to n" << endl;
<< liggghtsCommandType << ", provide dicts, numbered from 0 to n" << endl;
dictionaryConstructorTable::iterator cstrIter =
dictionaryConstructorTablePtr_->find(liggghtsCommandType);

6
src/lagrangian/cfdemParticle/subModels/liggghtsCommandModel/writeLiggghts/writeLiggghts.C
View File

@ -94,7 +94,7 @@ writeLiggghts::writeLiggghts
{
overwrite_ = Switch(propsDict_.lookup("overwrite"));
}
if (writeLast_)
{
runLast_ = true;
@ -103,13 +103,13 @@ writeLiggghts::writeLiggghts
{
//Warning << "Using invalid options of writeLiggghts, please use 'writeLast' option." << endl;
runEveryWriteStep_ = true;
}
}
command_ += " " + path_ + "/" + writeName_;
if (overwrite_)
{
strCommand_=string(command_);
strCommand_ = command_;
}
else
{

3
tutorials/cfdemSolverMultiphase/damBreak/run.config
View File

@ -12,8 +12,7 @@
"solver" : "cfdemSolverMultiphase",
"type" : "CFDEMcoupling/mpi",
"nprocs" : 4,
"pre_scripts" : ["prerun.sh"],
"post_scripts" : ["postrun.sh"]
"pre_scripts" : ["prerun.sh"]
}
]
}

3
tutorials/cfdemSolverMultiphase/particlesWaterEntry/run.config
View File

@ -12,8 +12,7 @@
"solver" : "cfdemSolverMultiphase",
"type" : "CFDEMcoupling/mpi",
"nprocs" : 4,
"pre_scripts" : ["prerun.sh"],
"post_scripts" : ["postrun.sh"]
"pre_scripts" : ["prerun.sh"]
}
]
}

3
tutorials/cfdemSolverMultiphase/tankDrainage/run.config
View File

@ -12,8 +12,7 @@
"solver" : "cfdemSolverMultiphase",
"type" : "CFDEMcoupling/mpi",
"nprocs" : 4,
"pre_scripts" : ["prerun.sh"],
"post_scripts" : ["postrun.sh"]
"pre_scripts" : ["prerun.sh"]
}
]
}

15
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh Executable file
View File

@ -0,0 +1,15 @@
#!/bin/sh
cd ${0%/*} || exit 1 # run from this directory
# Source tutorial run functions
. $WM_PROJECT_DIR/bin/tools/CleanFunctions
cd CFD
cleanCase
cd -
rm -f log*
rm ./DEM/post/dump*
# ----------------------------------------------------------------- end-of-file

29
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh Executable file
View File

@ -0,0 +1,29 @@
#!/bin/bash
#===================================================================#
# allrun script for testcase
# M. Efe Kinaci - Sep 2018
#===================================================================#
#- source CFDEM env vars
. ~/.bashrc
#- include functions
source $CFDEM_PROJECT_DIR/etc/functions.sh
#- define variables
casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
export casePath
cd $casePath/CFD/
blockMesh
if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then
echo "LIGGGHTS init was run before - using existing restart file"
else
#- run DEM in new terminal
$casePath/parDEMrun.sh
fi
echo "Run Simulation"
bash $casePath/parCFDDEMrun.sh

45
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/CO Normal file
View File

@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object CO;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.3801847328;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type fixedValue;
value uniform 0.3801847328;
}
outlet
{
type zeroGradient;
/* type inletOutlet;
value $internalField;
inletValue uniform 0.;*/
}
}
// ************************************************************************* //

45
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/CO2 Normal file
View File

@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object CO2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.4376348444;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type fixedValue;
value uniform 0.4376348444;
}
outlet
{
type zeroGradient;
/*type inletOutlet;
value $internalField;
inletValue uniform 0.;*/
}
}
// ************************************************************************* //

45
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/H2 Normal file
View File

@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object H2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.0116562393;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type fixedValue;
value uniform 0.0116562393;
}
outlet
{
type zeroGradient;
/* type inletOutlet;
value $internalField;
inletValue uniform 0.; */
}
}
// ************************************************************************* //

46
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/H2O Normal file
View File

@ -0,0 +1,46 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object H2O;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.0444583296;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type fixedValue;
value uniform 0.0444583296;
}
outlet
{
type zeroGradient;
/* type inletOutlet;
value $internalField;
inletValue uniform 0.; */
}
}
// ************************************************************************* //

41
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Ksl Normal file
View File

@ -0,0 +1,41 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object Ksl;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -3 -1 0 0 0 0];
internalField uniform 0.0;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

41
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/N2 Normal file
View File

@ -0,0 +1,41 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object N2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.1260658538;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type fixedValue;
value uniform 0.1260658538;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

41
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Qsource Normal file
View File

@ -0,0 +1,41 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object Qsource;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -3 0 0 0 0];
internalField uniform 0;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

41
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/T Normal file
View File

@ -0,0 +1,41 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
internalField uniform 1023.15;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type fixedValue;
value uniform 1023.15;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

50
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Tsource Normal file
View File

@ -0,0 +1,50 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object Tsource;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 -1 1 0 0 0];
// Tsource[K/s] = q[W/m3]/(rho[kg/m3]*cp[W*s/(kg*K)])
// Q=10 W
// V=0.01 m3
// q=1000 W/m3
// cp=1000
// rho=1
// --> Tsource = 1
internalField uniform 0;
boundaryField
{
side-walls
{
type zeroGradient;
value uniform 0;
}
inlet
{
type zeroGradient;
value uniform 0;
}
outlet
{
type zeroGradient;
value uniform 0;
}
}
// ************************************************************************* //

45
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/U Normal file
View File

@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
location "0";
object U;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 -1 0 0 0 0];
internalField uniform (0.0 0.0 0.0);
boundaryField
{
side-walls
{
type noSlip;
}
inlet
{
type fixedValue;
value uniform (0.0 0.25 0.0);
/* type interstitialInletVelocity;
inletVelocity uniform (0 0.25 0);
alpha voidfraction;
value $internalField; */
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

40
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Us Normal file
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@ -0,0 +1,40 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
location "0";
object Us;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 -1 0 0 0 0];
internalField uniform (0 0 0);
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

43
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/addSource Normal file
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@ -0,0 +1,43 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object addSource;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -3 0 0 0 0];
internalField uniform 0;
boundaryField
{
side-walls
{
type zeroGradient;
value uniform 0;
}
inlet
{
type zeroGradient;
value uniform 0;
}
outlet
{
type zeroGradient;
value uniform 0;
}
}
// ************************************************************************* //

39
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/alphat Normal file
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@ -0,0 +1,39 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object alphat;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -1 0 0 0 0];
internalField uniform 0;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

40
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/dSauter Normal file
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object dSauter;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 0 0 0 0 0];
internalField uniform 0.00022;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

38
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/dSmoothing Normal file
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@ -0,0 +1,38 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object dSmoothing;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 0 0 0 0 0];
internalField uniform 0;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

43
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/epsilon Normal file
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object epsilon;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -3 0 0 0 0];
internalField uniform 0.003;
boundaryField
{
side-walls
{
type epsilonWallFunction;
value uniform 0.003;
}
inlet
{
type zeroGradient;
}
outlet
{
/*type inletOutlet;
inletValue uniform 0.003;
value uniform 0.003;*/
type zeroGradient;
}
}
// ************************************************************************* //

37
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/gradT Normal file
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
object gradT;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 -1 0 1 0 0 0];
internalField uniform (0 0 0);
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

43
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/k Normal file
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object k;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -2 0 0 0 0];
internalField uniform 0.001;
boundaryField
{
side-walls
{
type kqRWallFunction;
value uniform 0.001;
}
inlet
{
type zeroGradient;
}
outlet
{
/*type inletOutlet;
inletValue uniform 0.001;
value uniform 0.001;*/
type zeroGradient;
}
}
// ************************************************************************* //

40
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/mut Normal file
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object mut;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -1 0 0 0 0];
internalField uniform 0;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

44
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/nut Normal file
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object nut;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -1 0 0 0 0];
internalField uniform 0;
boundaryField
{
side-walls
{
type fixedValue;
value uniform 0;
}
inlet
{
type calculated;
value uniform 0;
}
outlet
{
type calculated;
value uniform 0;
}
}
// ************************************************************************* //

41
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/p Normal file
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@ -0,0 +1,41 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -2 0 0 0 0];
internalField uniform 140000;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type fixedValue;
value uniform 140000;
}
}
// ************************************************************************* //

42
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/p.org Normal file
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@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -2 0 0 0 0];
internalField uniform 140000;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type fixedValue;
value uniform 140000;
}
}
// ************************************************************************* //

40
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/rho Normal file
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@ -0,0 +1,40 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object rho;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -3 0 0 0 0 0];
internalField uniform 1.58;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
type zeroGradient;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

42
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/voidfraction Normal file
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@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object voidfraction;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 1;
boundaryField
{
side-walls
{
type zeroGradient;
}
inlet
{
//type zeroGradient;
type fixedValue;
value uniform 1;
}
outlet
{
type zeroGradient;
}
}
// ************************************************************************* //

43
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/wallQFactor Normal file
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@ -0,0 +1,43 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object wallQFactor;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 1;
boundaryField
{
side-walls
{
type fixedValue;
value uniform 1;
}
inlet
{
type fixedValue;
value uniform 1;
}
outlet
{
type fixedValue;
value uniform 1;
}
}
// ************************************************************************* //

43
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/chemistryProperties Normal file
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@ -0,0 +1,43 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
chemistry off; //on;
/*
chemistryType
{
chemistrySolver noChemistrySolver;
chemistryThermo rho;
}
initialChemicalTimeStep 1e-07;
/*
EulerImplicitCoeffs
{
cTauChem 0.05;
equilibriumRateLimiter off;
}
odeCoeffs
{
solver seulex;
eps 0.05;
} */
// ************************************************************************* //

34
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/combustionProperties Normal file
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@ -0,0 +1,34 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object combustionProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
combustionModel noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>; //PaSR<psiChemistryCombustion>;
active false; //true;
noCombustionCoeffs
{
}
PaSRCoeffs
{
Cmix 1.0;
turbulentReaction off;
}
// ************************************************************************* //

355
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/couplingProperties Normal file
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/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.4 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object couplingProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
//===========================================================================//
// sub-models & settings
modelType "A"; // A or B
couplingInterval 50;
voidFractionModel divided;
locateModel engine; //turboEngineM2M;//
meshMotionModel noMeshMotion;
regionModel allRegion;
IOModel basicIO;
probeModel off;
dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;//
averagingModel dense;
clockModel off; //standardClock;//
smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; //
forceModels
(
GidaspowDrag
gradPForce
viscForce
);
energyModels
(
heatTransferGunn
reactionHeat
);
thermCondModel SyamlalThermCond;
chemistryModels
(
species
diffusionCoefficients
massTransferCoeff
//off
);
momCoupleModels
(
implicitCouple
);
turbulenceModelType "turbulenceProperties";//"LESProperties";//
//===========================================================================//
// sub-model properties
reactionHeatProps
{
reactionHeatName "reactionHeat";
verbose false;
}
heatTransferGunnProps
{
partTempName "Temp";
partHeatFluxName "convectiveHeatFlux";
calcPartTempField true;
partRefTemp 1023;
implicit true;
verbose false;
interpolation false;
}
speciesProps
{
ChemistryFile "$FOAM_CASE/constant/foam.inp";
Nevery 1;
verbose false;
interpolation false;
}
diffusionCoefficientsProps
{
verbose false;
interpolation false;
ChemistryFile "$FOAM_CASE/constant/foam.inp";
diffusantGasNames ( CO
H2
);
}
massTransferCoeffProps
{
verbose false;
interpolation false;
}
reactantPerParticleProps
{
}
SyamlalThermCondProps
{
voidfractionFieldName "voidfraction";
rhoFieldName "rho";
}
LaEuScalarTempProps
{
velFieldName "U";
tempFieldName "T";
voidfractionFieldName "voidfraction";
partTempName "Temp";
partHeatFluxName "convectiveHeatFlux";
lambda 0.0256;
Cp 1007;
}
localPSizeDiffSmoothingProps
{
lowerLimit 0.1;
upperLimit 1e10;
dSmoothingLength 1.5e-3;
Csmoothing 1.0;
}
constDiffSmoothingProps
{
lowerLimit 0.1;
upperLimit 1e10;
smoothingLength 1.5e-3;
}
implicitCoupleProps
{
velFieldName "U";
granVelFieldName "Us";
voidfractionFieldName "voidfraction";
}
ArchimedesProps
{
gravityFieldName "g";
}
gradPForceProps
{
pFieldName "p";
voidfractionFieldName "voidfraction";
velocityFieldName "U";
interpolation true;
}
viscForceProps
{
velocityFieldName "U";
interpolation true;
}
volWeightedAverageProps
{
scalarFieldNames
(
voidfraction
);
vectorFieldNames
(
);
upperThreshold 0.999;
lowerThreshold 0;
verbose true;
}
totalMomentumExchangeProps
{
implicitMomExFieldName "Ksl";
explicitMomExFieldName "none";
fluidVelFieldName "U";
granVelFieldName "Us";
}
GidaspowDragProps
{
verbose true;
velFieldName "U";
granVelFieldName "Us";
voidfractionFieldName "voidfraction";
interpolation true;
phi 1;
}
BeetstraDragProps
{
velFieldName "U";
granVelFieldName "Us";
gravityFieldName "g";
voidfractionFieldName "voidfraction";
interpolation false;
useFilteredDragModel ;
useParcelSizeDependentFilteredDrag ;
rhoP 4630.;
dPrim 0.00022;
rho 1.58;
nuf 1.126e-05;
g 9.81;
k 0.05;
aLimit 0.0;
verbose false;
}
DEMbasedDragProps
{
velFieldName "U";
voidfractionFieldName "voidfraction";
}
DiFeliceDragProps
{
//verbose true;
velFieldName "U";
voidfractionFieldName "voidfraction";
granVelFieldName "Us";
interpolation false;
}
KochHillDragProps
{
verbose true;
velFieldName "U";
voidfractionFieldName "voidfraction";
interpolation false;
//forceSubModels
//(
// ImExCorr
//);
implForceDEM true;
//implForceDEMaccumulated true;
//explicitCorr true;
}
RongDragProps
{
verbose true;
velFieldName "U";
voidfractionFieldName "voidfraction";
interpolation false;
implForceDEM true;
implForceDEMaccumulated true;
granVelFieldName "Us";
}
virtualMassForceProps
{
velFieldName "U";
}
particleCellVolumeProps
{
upperThreshold 0.999;
lowerThreshold 0.;
verbose true;
}
fieldStoreProps
{
scalarFieldNames
(
);
vectorFieldNames
(
"U"
);
}
oneWayVTKProps
{
couplingFilename "vtk_out%4.4d.vtk";
maxNumberOfParticles 30000;
}
twoWayFilesProps
{
maxNumberOfParticles 10100;
}
centreProps
{
alphaMin 0.1;
}
engineProps
{
treeSearch true;
}
turboEngineProps
{
treeSearch true;
}
turboEngineM2MProps
{
turboEngineProps
{
treeSearch true;
}
}
dividedProps
{
alphaMin 0.01;
scaleUpVol 1.0;
}
twoWayMPIProps
{
liggghtsPath "../DEM/in.liggghts_run";
}
twoWayM2MProps
{
maxNumberOfParticles 10100;
liggghtsPath "../DEM/in.liggghts_run";
}
// ************************************************************************* //

111
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/foam.dat Normal file
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object foam.dat;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
H2
{
specie
{
nMoles 1;
molWeight 2.02;
}
thermodynamics
{
Cp 15016.8;
Hf 2.544e+06;
}
transport
{
mu 8.42e-05;
Pr 0.76;
}
}
H2O
{
specie
{
nMoles 1;
molWeight 18.015;
}
thermodynamics
{
Cp 2304.1;
Hf 2.544e+06;
}
transport
{
mu 1.7e-05;
Pr 0.99;
}
}
CO
{
specie
{
nMoles 1;
molWeight 28.01;
}
thermodynamics
{
Cp 1189.14;
Hf 2.544e+06;
}
transport
{
mu 1.66e-05;
Pr 0.792;
}
}
CO2
{
specie
{
nMoles 1;
molWeight 44.01;
}
thermodynamics
{
Cp 1239.98;
Hf 2.544e+06;
}
transport
{
mu 1.37e-05;
Pr 0.69;
}
}
N2
{
specie
{
nMoles 1;
molWeight 28.0134;
}
thermodynamics
{
Cp 1171.6;
Hf 2.544e+06;
}
transport
{
mu 1.66e-05;
Pr 0.69;
}
}
// ************************************************************************* //

14
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species
(
CO
CO2
H2
H2O
N2
);
reactions
{
}

22
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class uniformDimensionedVectorField;
location "constant";
object g;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 -2 0 0 0 0];
value ( 0 -9.81 0 );
// ************************************************************************* //

43
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/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.4 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object liggghtsCommands;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
liggghtsCommandModels
(
runLiggghts
writeLiggghts
);
// ************************************************************************* //
/*runLiggghtsProps
{
preNo false;
}*/
writeLiggghtsProps
{
writeLast on;
writeName "post/restart/liggghts.restartCFDEM";
overwrite on;
}

144
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// blockMesh : Block mesh description file
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant/polyMesh";
object blockMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
meshGenApp blockMesh;
convertToMeters 1.0;
//68 mm column diameter
//150 mm length
//Width of middle square section
//how many cells in the square section
//how many cells from square section to perimeter
// how many cells from top to bottom
vertices
(
( 0.017 0.0 0.017) // Vertex fiveoclocksqb = 0
(-0.017 0.0 0.017) // Vertex sevenoclocksqb = 1
(-0.017 0.0 -0.017) // Vertex elevenoclocksqb = 2
( 0.017 0.0 -0.017) // Vertex oneoclocksqb = 3
( 0.0240416305819187 0.0 0.0240416305387665) // Vertex fiveoclockcb = 4
(-0.0240416305819187 0.0 0.0240416305387665) // Vertex sevenoclockcb = 5
(-0.0240416305819187 0.0 -0.0240416305387665) // Vertex elevenoclockcb = 6
( 0.0240416305819187 0.0 -0.0240416305387665) // Vertex oneoclockcb = 7
( 0.017 0.150 0.017) // Vertex fiveoclocksqt = 8
(-0.017 0.150 0.017) // Vertex sevenoclocksqt = 9
(-0.017 0.150 -0.017) // Vertex elevenoclocksqt = 10
( 0.017 0.150 -0.017) // Vertex oneoclocksqt = 11
( 0.0240416305819187 0.150 0.0240416305387665) // Vertex fiveoclockct = 12
(-0.0240416305819187 0.150 0.0240416305387665) // Vertex sevenoclockct = 13
(-0.0240416305819187 0.150 -0.0240416305387665) // Vertex elevenoclockct = 14
( 0.0240416305819187 0.150 -0.0240416305387665) // Vertex oneoclockct = 15
);
blocks
(
//square block
hex (
1 0 3 2
9 8 11 10
)
(7 7 24)
simpleGrading (1 1 1)
//slice1
hex (
5 4 0 1
13 12 8 9
)
(7 3 24)
simpleGrading (1 1 1)
//slice2
hex (
1 2 6 5
9 10 14 13
)
(7 3 24)
simpleGrading (1 1 1)
//slice3
hex (
2 3 7 6
10 11 15 14
)
(7 3 24)
simpleGrading (1 1 1)
//slice4
hex (
3 0 4 7
11 8 12 15
)
(7 3 24)
simpleGrading (1 1 1)
);
//create the quarter circles
edges
(
arc 4 5 (0.0 0.0 0.034)
arc 5 6 (-0.034 0.0 0.0)
arc 6 7 (0.0 0.0 -0.034)
arc 7 4 (0.034 0.0 0.0)
arc 12 13 (0.0 0.150 0.034)
arc 13 14 (-0.034 0.150 0.0)
arc 14 15 (0.0 0.150 -0.034)
arc 15 12 (0.034 0.150 0.0)
);
patches
(
patch inlet
(
(0 3 2 1)
(0 4 7 3)
(4 0 1 5)
(1 2 6 5)
(3 7 6 2)
)
patch outlet
(
(8 11 10 9)
(8 12 15 11)
(12 8 9 13)
(9 10 14 13)
(11 15 14 10)
)
wall side-walls
(
(5 4 12 13)
(5 13 14 6)
(6 14 15 7)
(7 15 12 4)
)
);

153
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// blockMesh : Block mesh description file
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant/polyMesh";
object blockMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
changecom(//)changequote([,])
define(calc, [esyscmd(perl -e 'printf ($1)')])
define(VCOUNT, 0)
define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(VCOUNT))])
meshGenApp blockMesh;
convertToMeters 1.0;
define(D, 0.068) //68 mm column diameter
define(L, 0.150) //150 mm length
define(PI, 3.14159265)
define(R, calc(D/2))
define(CW, calc(D/4)) //Width of middle square section
define(CX, calc(R*cos((PI/180)*45)))
define(CZ, calc(R*sin((PI/180)*45)))
define(NPS, 7) //how many cells in the square section
define(NPD, 3) //how many cells from square section to perimeter
define(NPY, 24) // how many cells from top to bottom
vertices
(
( CW 0.0 CW) vlabel(fiveoclocksqb)
(-CW 0.0 CW) vlabel(sevenoclocksqb)
(-CW 0.0 -CW) vlabel(elevenoclocksqb)
( CW 0.0 -CW) vlabel(oneoclocksqb)
( CX 0.0 CZ) vlabel(fiveoclockcb)
(-CX 0.0 CZ) vlabel(sevenoclockcb)
(-CX 0.0 -CZ) vlabel(elevenoclockcb)
( CX 0.0 -CZ) vlabel(oneoclockcb)
( CW L CW) vlabel(fiveoclocksqt)
(-CW L CW) vlabel(sevenoclocksqt)
(-CW L -CW) vlabel(elevenoclocksqt)
( CW L -CW) vlabel(oneoclocksqt)
( CX L CZ) vlabel(fiveoclockct)
(-CX L CZ) vlabel(sevenoclockct)
(-CX L -CZ) vlabel(elevenoclockct)
( CX L -CZ) vlabel(oneoclockct)
);
blocks
(
//square block
hex (
sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb
sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt
)
(NPS NPS NPY)
simpleGrading (1 1 1)
//slice1
hex (
sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb
sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt
)
(NPS NPD NPY)
simpleGrading (1 1 1)
//slice2
hex (
sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb
sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct
)
(NPS NPD NPY)
simpleGrading (1 1 1)
//slice3
hex (
elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb
elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct
)
(NPS NPD NPY)
simpleGrading (1 1 1)
//slice4
hex (
oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb
oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct
)
(NPS NPD NPY)
simpleGrading (1 1 1)
);
//create the quarter circles
edges
(
arc fiveoclockcb sevenoclockcb (0.0 0.0 R)
arc sevenoclockcb elevenoclockcb (-R 0.0 0.0)
arc elevenoclockcb oneoclockcb (0.0 0.0 -R)
arc oneoclockcb fiveoclockcb (R 0.0 0.0)
arc fiveoclockct sevenoclockct (0.0 L R)
arc sevenoclockct elevenoclockct (-R L 0.0)
arc elevenoclockct oneoclockct (0.0 L -R)
arc oneoclockct fiveoclockct (R L 0.0)
);
patches
(
patch inlet
(
(fiveoclocksqb oneoclocksqb elevenoclocksqb sevenoclocksqb)
(fiveoclocksqb fiveoclockcb oneoclockcb oneoclocksqb)
(fiveoclockcb fiveoclocksqb sevenoclocksqb sevenoclockcb)
(sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb)
(oneoclocksqb oneoclockcb elevenoclockcb elevenoclocksqb)
)
patch outlet
(
(fiveoclocksqt oneoclocksqt elevenoclocksqt sevenoclocksqt)
(fiveoclocksqt fiveoclockct oneoclockct oneoclocksqt)
(fiveoclockct fiveoclocksqt sevenoclocksqt sevenoclockct)
(sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct)
(oneoclocksqt oneoclockct elevenoclockct elevenoclocksqt)
)
wall side-walls
(
(sevenoclockcb fiveoclockcb fiveoclockct sevenoclockct)
(sevenoclockcb sevenoclockct elevenoclockct elevenoclockcb)
(elevenoclockcb elevenoclockct oneoclockct oneoclockcb)
(oneoclockcb oneoclockct fiveoclockct fiveoclockcb)
)
);

37
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermophysicalProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
thermoType
{
type heRhoThermo; //hePsiThermo;
mixture reactingMixture; //species and reactions are listed in chemistry file
transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts
thermo hConst; //janaf;
equationOfState perfectGas;
energy sensibleInternalEnergy; //sensibleEnthalpy;
specie specie;
}
chemistryReader foamChemistryReader;
foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat";
foamChemistryFile "$FOAM_CASE/constant/foam.inp";
inertSpecie N2;
// ************************************************************************* //

44
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.6 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object transportProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
transportModel Newtonian;
nu nu [ 0 2 -1 0 0 0 0 ] 1.126e-05;
kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model
Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model
// ******* Non-Newtonian transport properties ************************ //
/*CrossPowerLawCoeffs
{
nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06;
nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06;
m m [ 0 0 1 0 0 0 0 ] 1;
n n [ 0 0 0 0 0 0 0 ] 1;
}
BirdCarreauCoeffs
{
nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06;
nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06;
k k [ 0 0 1 0 0 0 0 ] 0;
n n [ 0 0 0 0 0 0 0 ] 1;
}
*/
// ************************************************************************* //

20
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/turbulenceProperties Normal file
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object turbulenceProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
simulationType laminar;
// ************************************************************************* //

266
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object controlDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
application cfdemSolverRhoPimpleChem;
startFrom startTime;
startTime 0.0;
stopAt endTime;
endTime 120.0;
deltaT 0.00025;
writeControl runTime; //timeStep;
writeInterval 0.25; //5000;
purgeWrite 0;
writeFormat ascii;
writePrecision 6;
writeCompression off;
timeFormat general;
timePrecision 6;
runTimeModifiable true;
adjustTimeStep no;
maxCo 0.5;
maxDeltaT 0.1;
// ************************************************************************* //
libs
(
"libfieldFunctionObjects.so"
);
functions
{
moleFrac
{
type rhoReactionThermoMoleFractions;
}
probes
{
type probes;
functionObjectLibs ("libsampling.so");
// Name of the directory for probe data
name probes;
// Locations to be probed.
probeLocations
(
(0.03 0.025 0.0)
(0.03 0.050 0.0)
(0.03 0.075 0.0)
(0.03 0.090 0.0)
(0.03 0.120 0.0)
);
fields
(
rho
p
T
Cpv
N2
CO2
CO
H2
H2O
ModSpeciesMassField_N2
ModSpeciesMassField_CO2
ModSpeciesMassField_CO
ModSpeciesMassField_H2
ModSpeciesMassField_H2O
X_CO
X_CO2
X_H2
X_N2
X_H2O
);
writeControl timeStep;
writeInterval 10000;
}
fieldMinMax_T
{
type fieldMinMax;
libs ("libfieldFunctionObjects.so");
fields (T);
// Report the location of the field extrema
location yes;
// Type of extrema for rank > 0 primitives
mode magnitude; // magnitude | component
}
fieldMinMax_Cpv
{
type fieldMinMax;
libs ("libfieldFunctionObjects.so");
fields (Cpv);
// Report the location of the field extrema
location yes;
// Type of extrema for rank > 0 primitives
mode magnitude; // magnitude | component
}
fieldMinMax_partTemp
{
type fieldMinMax;
libs ("libfieldFunctionObjects.so");
fields (partTemp);
location yes;
mode magnitude;
}
globalMassFrac
{
type volRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;//outputTime;
writeInterval 1;
log true;
writeFields false;
regionType all;
name c0;
operation weightedVolAverage;
weightField rhoeps;
fields
(
H2
H2O
CO2
CO
N2
);
}
globalMass
{
type volRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;//outputTime;
writeInterval 1;
log true;
writeFields false;
regionType all;
name c1;
operation volIntegrate;
fields
(
rhoeps
rho
);
}
inflow_GasSpecies
{
type surfaceRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;
writeInterval 100;
log true;
// Output field values as well
writeFields false;
regionType patch;
name inlet;
operation sum;//areaIntegrate;
fields
(
CO
CO2
H2
H2O
N2
);
}
inflow_phi
{
type surfaceRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;
writeInterval 100;
log true;
// Output field values as well
writeFields false;
regionType patch;
name inlet;
operation sum;//areaIntegrate;
fields
(
phi
);
}
inflow_U
{
type surfaceRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;
writeInterval 100;
log true;
// Output field values as well
writeFields false;
regionType patch;
name inlet;
operation sum;//areaIntegrate;
fields
(
U
);
}
outflow_GasSpecies
{
$inflow_GasSpecies;
name outlet;
}
outflow_phi
{
$inflow_phi;
name outlet;
}
outflow_U
{
$inflow_U;
name outlet;
}
}
// ************************************************************************* //

266
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object controlDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
application cfdemSolverRhoPimpleChem;
startFrom startTime;
startTime 0.0;
stopAt endTime;
endTime 0.2;
deltaT 0.00025;
writeControl runTime; //timeStep;
writeInterval 0.02; //5000;
purgeWrite 0;
writeFormat ascii;
writePrecision 6;
writeCompression off;
timeFormat general;
timePrecision 6;
runTimeModifiable true;
adjustTimeStep no;
maxCo 0.5;
maxDeltaT 0.1;
// ************************************************************************* //
libs
(
"libfieldFunctionObjects.so"
);
functions
{
moleFrac
{
type rhoReactionThermoMoleFractions;
}
probes
{
type probes;
functionObjectLibs ("libsampling.so");
// Name of the directory for probe data
name probes;
// Locations to be probed.
probeLocations
(
(0.03 0.025 0.0)
(0.03 0.050 0.0)
(0.03 0.075 0.0)
(0.03 0.090 0.0)
(0.03 0.120 0.0)
);
fields
(
rho
p
T
Cpv
N2
CO2
CO
H2
H2O
ModSpeciesMassField_N2
ModSpeciesMassField_CO2
ModSpeciesMassField_CO
ModSpeciesMassField_H2
ModSpeciesMassField_H2O
X_CO
X_CO2
X_H2
X_N2
X_H2O
);
writeControl timeStep;
writeInterval 50;
}
fieldMinMax_T
{
type fieldMinMax;
libs ("libfieldFunctionObjects.so");
fields (T);
// Report the location of the field extrema
location yes;
// Type of extrema for rank > 0 primitives
mode magnitude; // magnitude | component
}
fieldMinMax_Cpv
{
type fieldMinMax;
libs ("libfieldFunctionObjects.so");
fields (Cpv);
// Report the location of the field extrema
location yes;
// Type of extrema for rank > 0 primitives
mode magnitude; // magnitude | component
}
fieldMinMax_partTemp
{
type fieldMinMax;
libs ("libfieldFunctionObjects.so");
fields (partTemp);
location yes;
mode magnitude;
}
globalMassFrac
{
type volRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;//outputTime;
writeInterval 1;
log true;
writeFields false;
regionType all;
name c0;
operation weightedVolAverage;
weightField rhoeps;
fields
(
H2
H2O
CO2
CO
N2
);
}
globalMass
{
type volRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;//outputTime;
writeInterval 1;
log true;
writeFields false;
regionType all;
name c1;
operation volIntegrate;
fields
(
rhoeps
rho
);
}
inflow_GasSpecies
{
type surfaceRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;
writeInterval 100;
log true;
// Output field values as well
writeFields false;
regionType patch;
name inlet;
operation sum;//areaIntegrate;
fields
(
CO
CO2
H2
H2O
N2
);
}
inflow_phi
{
type surfaceRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;
writeInterval 100;
log true;
// Output field values as well
writeFields false;
regionType patch;
name inlet;
operation sum;//areaIntegrate;
fields
(
phi
);
}
inflow_U
{
type surfaceRegion;
libs ("libfieldFunctionObjects.so");
writeControl timeStep;
writeInterval 100;
log true;
// Output field values as well
writeFields false;
regionType patch;
name inlet;
operation sum;//areaIntegrate;
fields
(
U
);
}
outflow_GasSpecies
{
$inflow_GasSpecies;
name outlet;
}
outflow_phi
{
$inflow_phi;
name outlet;
}
outflow_U
{
$inflow_U;
name outlet;
}
}
// ************************************************************************* //

46
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object decomposeParDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
numberOfSubdomains 4;
//method scotch;
method simple;
simpleCoeffs
{
n (2 1 2);
delta 0.001;
}
hierarchicalCoeffs
{
n ( 1 1 1 );
delta 0.001;
order xyz;
}
manualCoeffs
{
dataFile "";
}
distributed no;
roots ( );
// ************************************************************************* //

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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvOptions;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
limitedTemperature
{
type limitTemperature;
active yes;
limitTemperatureCoeffs
{
active yes;
selectionMode all;
Tmin 1020;
Tmax 1500;
}
}

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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSchemes;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
ddtSchemes
{
default Euler;
}
gradSchemes
{
default Gauss linear;
grad(p) cellMDLimited leastSquares 0.5;
grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; //
grad(h) cellMDLimited leastSquares 0.5;
grad(e) cellMDLimited leastSquares 0.5;
}
divSchemes
{
default Gauss linear;
div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; //
div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1;
div(phi,K) Gauss limitedLinear 1;
div(phi,h) Gauss limitedLinear 1; //Gauss upwind;
div(phi,k) Gauss limitedLinear 1; //Gauss upwind;
div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind;
div(U) Gauss limitedLinear 1;
div(phi,Yi_h) Gauss multivariateSelection
{
CO limitedLinear01 1;
H2 limitedLinear01 1;
N2 limitedLinear01 1;
H2O limitedLinear01 1;
CO2 limitedLinear01 1;
h limitedLinear 1;
e limitedLinear 1;
}
// div((muEff*dev2(T(grad(U))))) Gauss linear;
div((viscousTerm*dev2(grad(U).T()))) Gauss linear;
div((thermo:mu*dev(grad(U).T()))) Gauss linear;
div((nuEff*dev2(T(grad(U))))) Gauss linear;
div(phi,T) Gauss limitedLinear 1;
}
laplacianSchemes
{
default Gauss linear corrected; //Gauss linear orthogonal;
}
interpolationSchemes
{
default linear;
interpolate(U) linear;
}
snGradSchemes
{
default corrected; //orthogonal;
}
fluxRequired
{
default no;
p ;
}
// ************************************************************************* //

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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.3.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSolution;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
solvers
{
p
{
solver PCG;
preconditioner DIC;
tolerance 1e-6;
relTol 0.01;
/*solver GAMG;
tolerance 1e-06;
relTol 0.01;
smoother GaussSeidel;
nPreSweeps 0;
nPostSweeps 2;
nFinestSweeps 2;
cacheAgglomeration on;
nCellsInCoarsestLevel 10;
agglomerator faceAreaPair;
mergeLevels 1; */
}
pFinal
{
$p;
tolerance 1e-06;
relTol 0;
}
"(rho|G)"
{
solver PCG;
preconditioner DIC;
tolerance 1e-6;
relTol 0.01;
/*solver smoothSolver;
smoother symGaussSeidel;
tolerance 1e-6;
relTol 0.1;
nSweeps 3;*/
}
"(rho|G)Final"
{
$rho;
tolerance 1e-06;
relTol 0;
}
"(U|h|e|R|k|epsilon)"
{
solver smoothSolver;
smoother symGaussSeidel;
tolerance 1e-05;
relTol 0.1;
maxIter 100;
}
"(U|h|e|R|k|epsilon)Final"
{
$U;
tolerance 1e-05;
relTol 0;
}
"(Yi|CO|CO2|H2|H2O|N2)"
{
solver smoothSolver;
smoother symGaussSeidel;
tolerance 1e-06;
relTol 0.01;
maxIter 100;
}
"(Yi|CO|CO2|H2|H2O|N2)Final"
{
$Yi;
tolerance 1e-06;
relTol 0;
maxIter 100;
}
T
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-8;
relTol 0;
}
}
PIMPLE
{
momentumPredictor yes;
nOuterCorrectors 5;
nCorrectors 2;
nNonOrthogonalCorrectors 0;
rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4;
rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0;
}
relaxationFactors
{
fields
{
T 0.5;
"(Yi|CO|CO2|H2|H2O|N2)" 0.6;
p 0.6;
}
equations
{
".*" 0.8;
"(h|e).*" 0.5;
}
}
// ************************************************************************* //

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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \ / O peration | Version: 2.1.x |
| \ / A nd | Web: www.OpenFOAM.org |
| \/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object probesDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
fields
(
rho
p
T
Cpv
N2
CO2
CO
H2
H2O
ModSpeciesMassField_N2
ModSpeciesMassField_CO2
ModSpeciesMassField_CO
ModSpeciesMassField_H2
ModSpeciesMassField_H2O
X_CO
X_CO2
X_H2
X_N2
X_H2O
X_N2
);
writeControl timeStep;
writeInterval 10000;
// Locations to be probed.
probeLocations
(
(0.03 0.025 0.0)
(0.03 0.050 0.0)
(0.03 0.075 0.0)
(0.03 0.090 0.0)
(0.03 0.120 0.0)
);
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

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# Particle insertion into domain
coarsegraining 7.0 model_check error
atom_style granular
atom_modify map array
communicate single vel yes
boundary f f f
newton off
units si
processors * 1 2
region reg block -0.034 0.034 0.000 0.15 -0.034 0.034
create_box 2 reg
neighbor 1e-4 bin
neigh_modify delay 0
# Material properties required for granular pair styles
fix m1 all property/global youngsModulus peratomtype 5.e6 5.e6
fix m2 all property/global poissonsRatio peratomtype 0.45 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 2 0.3 0.3 0.3 0.3
fix m4 all property/global coefficientFriction peratomtypepair 2 0.5 0.5 0.5 0.5
# pair style
pair_style gran model hertz tangential history
pair_coeff * *
# timestep, gravity
timestep 1e-6
fix gravi all gravity 9.81 vector 0.0 -1.0 0.0
# walls
fix zwalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.000
fix zwalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15
fix cylwalls all wall/gran model hertz tangential history primitive type 1 ycylinder 0.034 0. 0.
# particle distributions and insertion
region insreg1 cylinder y 0.0 0.0 0.034 0.00 0.15 units box
#insert Quartz particles
fix pts5 all particletemplate/sphere 61 atom_type 2 density constant 2630 radius constant 0.00025
fix pdd2 all particledistribution/discrete 1 1 pts5 1.0
#insert iron-ore range
fix pts1 all particletemplate/sphere 21 atom_type 1 density constant 4300 radius constant 0.000375
fix pts2 all particletemplate/sphere 31 atom_type 1 density constant 4300 radius constant 0.000188
fix pts3 all particletemplate/sphere 41 atom_type 1 density constant 4300 radius constant 0.000125
fix pts4 all particletemplate/sphere 51 atom_type 1 density constant 4300 radius constant 6.25E-05
fix pdd1 all particledistribution/discrete 1 4 pts1 0.228 pts2 0.286 pts3 0.332 pts4 0.154
fix ts_check all check/timestep/gran 10 0.1 0.1
# apply nve integration to all particles that are inserted as single particles
fix integr all nve/sphere
fix ins2 all insert/pack seed 5331 distributiontemplate pdd2 &
maxattempt 1000 insert_every once overlapcheck yes all_in yes vel constant 0.0 0.0 0.0 &
region insreg1 mass_in_region 0.2
run 150000
fix ins1 all insert/pack seed 5330 distributiontemplate pdd1 &
maxattempt 1000 insert_every once overlapcheck yes all_in yes vel constant 0.0 0.0 0.0 &
region insreg1 mass_in_region 0.365
# make groups
group ore type 1
group quartz type 2
# screen output
compute rke all erotate/sphere
thermo_style custom step atoms ke c_rke vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
# insert the first particles so that dump is not empty
run 1
dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass
run 300000 upto
write_restart ../DEM/post/restart/liggghts.restart

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# chemistry in fluidized bed
log ../DEM/log.liggghts
thermo_log ../DEM/post/thermo.txt
coarsegraining 7.0 model_check error
atom_style granular
atom_modify map array
communicate single vel yes
boundary f f f
newton off
units si
processors 2 * 2
# read the restart file
read_restart ../DEM/post/restart/liggghts.restart
neighbor 1e-4 bin
neigh_modify delay 0
# Material properties required for granular pair styles
fix m1 all property/global youngsModulus peratomtype 5.e6 5.e6
fix m2 all property/global poissonsRatio peratomtype 0.45 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 2 0.3 0.3 0.3 0.3
fix m4 all property/global coefficientFriction peratomtypepair 2 0.5 0.5 0.5 0.5
# pair style
pair_style gran model hertz tangential history # Hertzian without cohesion
pair_coeff * *
# timestep, gravity
timestep 0.000005
fix gravi all gravity 9.81 vector 0.0 -1.0 0.0
# walls
fix zwalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.000
fix zwalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15
fix cylwalls all wall/gran model hertz tangential history primitive type 1 ycylinder 0.034 0. 0.
# Thermal properties
fix ftco all property/global thermalConductivity peratomtype 1.4 1.4
fix ftca all property/global thermalCapacity peratomtype 3000 5000
# re-make groups
group ore type 1
group quartz type 2
###############################################
fix ts_check all check/timestep/gran 10 0.1 0.1
###############
# cfd coupling
fix cfd all couple/cfd couple_every 50 mpi
fix cfd2 all couple/cfd/force
# apply nve integration to all particles that are inserted as single particles
fix integr all nve/sphere
#compute kinetic energy of particles to see if they are moving changing
compute KinEn all ke
variable ke_tot equal c_KinEn
# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles
fix tconv all couple/cfd/convection T0 1022
###############
# this should invoke chemistry
fix cfd3 ore couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2
# Activate for 3-layer unreacted core shrink model
fix cfd5 ore chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen no
fix cfd6 ore chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 scale_reduction_rate 10.0 screen no
# Material properties for chemical reaction
fix k0_CO ore property/atom k0_cfd5 vector yes no no 17 25 2700
fix Ea_CO ore property/atom Ea_cfd5 vector yes no no 69488 95000 130940
fix k0_H2 ore property/atom k0_cfd6 vector yes no no 30 23 160
fix Ea_H2 ore property/atom Ea_cfd6 vector yes no no 63627 85000 105908
# particle parameters
fix porosity ore property/atom porosity_ vector yes no no 0.61 0.34 0.19 0.17
fix tortuosity ore property/global tortuosity_ scalar 3
fix pore_diameter ore property/global pore_diameter_ scalar 1.e-7
# define layer properties
fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98
### define fix for mass layer - initial testing
fix LayerMasses ore property/atom massLayer vector yes no no 0. 0. 0. 0.
fix LayerDensities ore property/global density_ore vector 7870. 5740. 5170. 5240.
## define fix for rho_eff and fracRed - initialize as zero
fix fracRed ore property/atom fracRed_ore vector yes no no 0. 0. 0.
fix rhoeff ore property/atom rhoeff vector yes no no 0. 0. 0. 0.
###############
# Write data into files for post-processing
group part type 1
variable np equal count(part)
variable WI equal 100000
variable time equal time
compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3]
fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3]
variable fr_d1_1 equal f_fr_d1[1]
variable fr_d1_2 equal f_fr_d1[2]
variable fr_d1_3 equal f_fr_d1[3]
# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation
variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1])
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file ../DEM/post/fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
variable fr_1_divided equal f_fr_d1[1]/${np}
variable fr_2_divided equal f_fr_d1[2]/${np}
variable fr_3_divided equal f_fr_d1[3]/${np}
variable frOV_divided equal 1/9*v_fr_3_divided+2/9*v_fr_2_divided+6/9*v_fr_1_divided
fix printfrdividied all print ${WI} "${time} ${fr_1_divided} ${fr_2_divided} ${fr_3_divided} ${frOV_divided}" file ../DEM/post/frDivided.dat title "#time fr_1 fr_2 fr_3 frOV"
### Reactant gas mass change ###
compute dma_CO all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3]
fix dmA_f_CO all ave/time 1 1 1 c_dma_CO[1] c_dma_CO[2] c_dma_CO[3]
variable dmA_CO_1 equal f_dmA_f_CO[1]
variable dmA_CO_2 equal f_dmA_f_CO[2]
variable dmA_CO_3 equal f_dmA_f_CO[3]
compute dma_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3]
fix dmA_f_H2 all ave/time 1 1 1 c_dma_H2[1] c_dma_H2[2] c_dma_H2[3]
variable dmA_H2_1 equal f_dmA_f_H2[1]
variable dmA_H2_2 equal f_dmA_f_H2[2]
variable dmA_H2_3 equal f_dmA_f_H2[3]
### Write Mass change files to file ###
fix printdmA all print ${WI} "${time} ${dmA_CO_1} ${dmA_CO_2} ${dmA_CO_3} ${dmA_H2_1} ${dmA_H2_2} ${dmA_H2_3}" file ../DEM/post/dmA.dat title "#time dmA_CO_1 dmA_CO_2 dmA_CO_3 dmA_H2_1 dmA_H2_2 dmA_H2_3"
###############
compute Aterm_red_CO all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3]
fix Aterm1 all ave/time 10 1 10 c_Aterm_red_CO[1] c_Aterm_red_CO[2] c_Aterm_red_CO[3]
variable a_CO_1 equal f_Aterm1[1]
variable a_CO_2 equal f_Aterm1[2]
variable a_CO_3 equal f_Aterm1[3]
compute Aterm_red_H2 all reduce sum f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3]
fix Aterm2 all ave/time 10 1 10 c_Aterm_red_H2[1] c_Aterm_red_H2[2] c_Aterm_red_H2[3]
variable a_H2_1 equal f_Aterm2[1]
variable a_H2_2 equal f_Aterm2[2]
variable a_H2_3 equal f_Aterm2[3]
compute Bterm_red_CO all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3]
fix Bterm1 all ave/time 10 1 10 c_Bterm_red_CO[1] c_Bterm_red_CO[2] c_Bterm_red_CO[3]
variable b_CO_1 equal f_Bterm1[1]
variable b_CO_2 equal f_Bterm1[2]
variable b_CO_3 equal f_Bterm1[3]
compute Bterm_red_H2 all reduce sum f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3]
fix Bterm2 all ave/time 10 1 10 c_Bterm_red_H2[1] c_Bterm_red_H2[2] c_Bterm_red_H2[3]
variable b_H2_1 equal f_Bterm2[1]
variable b_H2_2 equal f_Bterm2[2]
variable b_H2_3 equal f_Bterm2[3]
compute Massterm_red_CO all reduce sum f_Massterm_cfd5
fix Massterm1 all ave/time 10 1 10 c_Massterm_red_CO
variable mt_CO equal f_Massterm1
compute Massterm_red_H2 all reduce sum f_Massterm_cfd6
fix Massterm2 all ave/time 10 1 10 c_Massterm_red_H2
variable mt_H2 equal f_Massterm2
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3} ${a_H2_1} ${a_H2_2} ${a_H2_3}" file ../DEM/post/Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3 a_H2_1 a_H2_2 a_H2_3"
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3} ${b_H2_1} ${b_H2_2} ${b_H2_3}" file ../DEM/post/Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3 b_H2_1 b_H2_2 b_H2_3"
fix printMterm all print ${WI} "${time} ${mt_CO} ${mt_H2}" file ../DEM/post/Mterm.dat title "#time mt_CO mt_H2"
###############
compute mass_layer all reduce sum f_LayerMasses[1] f_LayerMasses[2] f_LayerMasses[3] f_LayerMasses[4]
fix massLayerPrintout all ave/time 1 1 1 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4]
variable mL1 equal f_massLayerPrintout[1]
variable mL2 equal f_massLayerPrintout[2]
variable mL3 equal f_massLayerPrintout[3]
variable mL4 equal f_massLayerPrintout[4]
compute dY_CO all reduce sum f_dY_cfd5[1] f_dY_cfd5[2] f_dY_cfd5[3]
fix dY_CO_Output all ave/time 1 1 1 c_dY_CO[1] c_dY_CO[2] c_dY_CO[3]
variable dY_CO_1 equal f_dY_CO_Output[1]
variable dY_CO_2 equal f_dY_CO_Output[2]
variable dY_CO_3 equal f_dY_CO_Output[3]
compute dY_H2 all reduce sum f_dY_cfd6[1] f_dY_cfd6[2] f_dY_cfd6[3]
fix dY_H2_Output all ave/time 1 1 1 c_dY_H2[1] c_dY_H2[2] c_dY_H2[3]
variable dY_H2_1 equal f_dY_H2_Output[1]
variable dY_H2_2 equal f_dY_H2_Output[2]
variable dY_H2_3 equal f_dY_H2_Output[3]
compute xA_CO all reduce sum f_X_CO
fix molarFractionA_CO all ave/time 1 1 1 c_xA_CO
variable xA_CO_1 equal f_molarFractionA_CO
compute xA_H2 all reduce sum f_X_H2
fix molarFractionA_H2 all ave/time 1 1 1 c_xA_H2
variable xA_H2_1 equal f_molarFractionA_H2
compute xC_CO2 all reduce sum f_X_CO2
fix molarFractionC_CO2 all ave/time 1 1 1 c_xC_CO2
variable xC_CO2_1 equal f_molarFractionC_CO2
compute xC_H2O all reduce sum f_X_H2O
fix molarFractionC_H2O all ave/time 1 1 1 c_xC_H2O
variable xC_H2O_1 equal f_molarFractionC_H2O
fix printMassLayer all print ${WI} "${time} ${mL1} ${mL2} ${mL3} ${mL4}" file ../DEM/post/MassLayers.dat title "#time mL_Fe mL_w mL_m mL_h"
fix printdmYLayer all print ${WI} "${time} ${dY_CO_1} ${dY_CO_2} ${dY_CO_3} ${dY_H2_1} ${dY_H2_2} ${dY_H2_3}" file ../DEM/post/dmY.dat title "#time dY_CO_1 dY_CO_2 dY_CO_3 dY_H2_1 dY_H2_2 dY_H2_3"
fix molarFractions all print ${WI} "${time} ${xA_CO_1} ${xA_H2_1} ${xC_CO2_1} ${xC_H2O_1}" file ../DEM/post/molarFractions.dat title "#title x_CO x_H2 x_CO2 x_H2O"
###############
compute effDiffBinary_red_CO all reduce sum f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3]
fix effDiffBinary1 all ave/time 10 1 10 c_effDiffBinary_red_CO[1] c_effDiffBinary_red_CO[2] c_effDiffBinary_red_CO[3]
variable dij_CO_1 equal f_effDiffBinary1[1]
variable dij_CO_2 equal f_effDiffBinary1[2]
variable dij_CO_3 equal f_effDiffBinary1[3]
compute effDiffBinary_red_H2 all reduce sum f_effDiffBinary_cfd6[1] f_effDiffBinary_cfd6[2] f_effDiffBinary_cfd6[3]
fix effDiffBinary2 all ave/time 10 1 10 c_effDiffBinary_red_H2[1] c_effDiffBinary_red_H2[2] c_effDiffBinary_red_H2[3]
variable dij_H2_1 equal f_effDiffBinary2[1]
variable dij_H2_2 equal f_effDiffBinary2[2]
variable dij_H2_3 equal f_effDiffBinary2[3]
compute effDiffKnud_red_CO all reduce sum f_effDiffKnud_cfd5[1] f_effDiffKnud_cfd5[2] f_effDiffKnud_cfd5[3]
fix effDiffKnud1 all ave/time 10 1 10 c_effDiffKnud_red_CO[1] c_effDiffKnud_red_CO[2] c_effDiffKnud_red_CO[3]
variable dik_CO_1 equal f_effDiffKnud1[1]
variable dik_CO_2 equal f_effDiffKnud1[2]
variable dik_CO_3 equal f_effDiffKnud1[3]
compute effDiffKnud_red_H2 all reduce sum f_effDiffKnud_cfd6[1] f_effDiffKnud_cfd6[2] f_effDiffKnud_cfd6[3]
fix effDiffKnud2 all ave/time 10 1 10 c_effDiffKnud_red_H2[1] c_effDiffKnud_red_H2[2] c_effDiffKnud_red_H2[3]
variable dik_H2_1 equal f_effDiffKnud2[1]
variable dik_H2_2 equal f_effDiffKnud2[2]
variable dik_H2_3 equal f_effDiffKnud2[3]
fix printDiffTerms all print ${WI} "${time} ${dij_CO_1} ${dij_CO_2} ${dij_CO_3} ${dij_H2_1} ${dij_H2_2} ${dij_H2_3} ${dik_CO_1} ${dik_CO_2} ${dik_CO_3} ${dik_H2_1} ${dik_H2_2} ${dik_H2_3} " file ../DEM/post/DiffTerm.dat title "#time dij_CO_1 dij_CO_2 dij_CO_3 dij_H2_1 dij_H2_2 dij_H2_3 dik_CO_1 dik_CO_2 dik_CO_3 dik_H2_1 dik_H2_2 dik_H2_3"
###############
## Check Layer Radii and Write them to files ###
compute layerRad1 all reduce sum f_LayerRelRadii[1]
fix redRad1 all ave/time 1 1 1 c_layerRad1
variable rr1 equal f_redRad1
compute layerRad2 all reduce sum f_LayerRelRadii[2]
fix redRad2 all ave/time 1 1 1 c_layerRad2
variable rr2 equal f_redRad2
compute layerRad3 all reduce sum f_LayerRelRadii[3]
fix redRad3 all ave/time 1 1 1 c_layerRad3
variable rr3 equal f_redRad3
compute layerRad4 all reduce sum f_LayerRelRadii[4]
fix redRad4 all ave/time 1 1 1 c_layerRad4
variable rr4 equal f_redRad4
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file ../DEM/post/relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
###############
# screen output
compute rke all erotate/sphere
thermo_style custom step atoms ke c_rke vol
thermo 10
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
dump dmp all custom ${WI} ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3]
run 1

0
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/post/restart/.gitignore vendored Normal file
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83
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh Executable file
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#!/bin/bash
#===================================================================#
# allrun script for testcase
# M. Efe Kinaci - Sep 2018
#===================================================================#
#- source CFDEM env vars
. ~/.bashrc
#- include functions
source $CFDEM_PROJECT_DIR/etc/functions.sh
#--------------------------------------------------------------------------------#
#- define variables
casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
logpath=$casePath
headerText="R2_FluidBed"
logfileName="log_$headerText"
solverName="cfdemSolverRhoPimpleChem" #"cfdemSolverPiso" #
nrProcs="4"
machineFileName="none" # yourMachinefileName | none
debugMode="off" # on | off| strict
testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
runOctave="false"
postproc="false"
#--------------------------------------------------------------------------------#
#- call function to run a parallel CFD-DEM case
parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode
if [ $runOctave == "true" ]
then
#------------------------------#
# octave
#- change path
cd octave
#- rmove old graph
rm cfdemSolverPiso_ErgunTestMPI.eps
#- run octave
octave totalPressureDrop.m
#- show plot
evince cfdemSolverPiso_ErgunTestMPI.eps
#- copy log file to test harness
cp ../../$logfileName $testHarnessPath
cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath
fi
if [ $postproc == "true" ]
then
#- keep terminal open (if started in new terminal)
echo "simulation finished? ...press enter to proceed"
read
#- get VTK data from liggghts dump file
cd $casePath/DEM/post
python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run
#- get VTK data from CFD sim
cd $casePath/CFD
reconstructPar
foamToVTK #- serial run of foamToVTK
#source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions
#pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK
#- start paraview
paraview
#- keep terminal open (if started in new terminal)
echo "...press enter to clean up case"
echo "press Ctr+C to keep data"
read
fi

29
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parDEMrun.sh Executable file
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#!/bin/bash
#===================================================================#
# DEMrun script for testcase
# M. Efe Kinaci - Sep 2018
#===================================================================#
#- source CFDEM env vars
. ~/.bashrc
#- include functions
source $CFDEM_PROJECT_DIR/etc/functions.sh
echo "starting DEM run in parallel..."
#--------------------------------------------------------------------------------#
#- define variables
casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
logpath="$casePath"
headerText="run_liggghts_init_DEM"
logfileName="log_$headerText"
solverName="in.liggghts_init"
nrProcs=4
machineFileName="none"
debugMode="off"
#--------------------------------------------------------------------------------#
#- call function to run DEM case
parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode

19
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/postrun.sh Executable file
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#!/bin/bash
#- source CFDEM env vars
. ~/.bashrc
#- include functions
source $CFDEM_PROJECT_DIR/etc/functions.sh
casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
#- get VTK data from liggghts dump file
cd $casePath/DEM/post
python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run
#- get VTK data from CFD sim
cd $casePath/CFD
reconstructPar
foamToVTK

16
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/prerun.sh Executable file
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#!/bin/bash
#- define variables
casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
# check if mesh was built
if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then
echo "mesh was built before - using old mesh"
else
echo "mesh needs to be built"
cd $casePath/CFD
blockMesh
fi
# adapt settings for test harness run
cp $casePath/CFD/system/controlDict_test $casePath/CFD/system/controlDict

19
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/run.config Normal file
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{
"type" : "CFDEMcoupling",
"runs" : [
{
"name" : "liggghts-init",
"input_script" : "DEM/in.liggghts_init",
"type" : "liggghts/mpi",
"nprocs" : 4
},
{
"name" : "cfdemrun",
"depends_on" : "liggghts-init",
"solver" : "cfdemSolverRhoPimpleChem",
"type" : "CFDEMcoupling/mpi",
"nprocs" : 4,
"pre_scripts" : ["prerun.sh"]
}
]
}

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