CFD codes based on OpenFOAM developed as part of the project:

"An Open-Source Framework for the Computational Analysis and Design of 
Autothermal Chemical Processes"

Prepared by:

- Barlev R. Nagawkar, Graduate Student,
  Department of Mechanical Engineering, Iowa State University.

- Alberto Passalacqua, Associate Professor, 
  Department of Mechanical Engineering, Iowa State University.

Acknowledgment
--------------

This material is based upon work supported by the U.S. Department of Energy’s 
Office of Energy Efficiency and Renewable Energy (EERE) under the Advanced 
Manufacturing Office (AMO), Emerging Research Initiative Award Number 
DE-EE0008326.

Disclaimer
----------

This software was prepared as an account of work sponsored by an agency of the 
United States Government. Neither the United States Government nor any agency 
thereof, nor any of its employees, makes any warranty, express or implied, or 
assumes any legal liability or responsibility for the accuracy, completeness, 
or usefulness of any information, apparatus, product, or process disclosed, 
or represents that its use would not infringe privately owned rights. 
Reference herein to any specific commercial product, process, or service by 
trade name, trademark, manufacturer, or otherwise does not necessarily 
constitute or imply its endorsement, recommendation, or favoring by the 
United States Government or any agency thereof.  The views and opinions of 
authors expressed herein do not necessarily state or reflect those of the 
United States Government or any agency thereof.


Instructions
------------

Instructions on installing OpenFOAM and using the chemistry solver chemFoam and 
multiphase CFD solver reactingMultiphaseEulerFoam.

Installation on Linux workstation:

1) Create a directory “OpenFOAM” on your home folder in which the OpenFOAM-dev 
and ThirdParty-dev directories will be contained. Open a terminal and type:

    mkdir OpenFOAM
    cd OpenFOAM

2) Source the OpenFOAM-bp/etc/bashrc file by adding the path in the .bashrc file. 
Add following line:

    source /home/OpenFOAM/OpenFOAM-bp/etc/bashrc

3) Check the compilers and system openmpi your computer is using. 
The default in the OpenFOAM code provided used GCC compiler and a SYSTEMOPENMPI. 
If you are using the Intel compilers you will need to change this. 
Follow steps 4 and 5 to make this change.

4) Go into your etc folder and copy the file "prefs.sh" if it's not there.

    cd OpenFOAM-bp
    cp etc/config.sh/example/prefs.sh etc

5) In this file you will find a bunch of commented lines. 
Uncomment and use the Icc compiler and INTELMPI openmpi. 
You should have then at the bottom:

    ## Specify OpenFOAM ThirdParty compiler
    ## ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
    #WM_COMPILER_TYPE=ThirdParty
            
    ## Specify compiler type
    ## ~~~~~~~~~~~~~~~~~~~~~
    export WM_COMPILER=Icc
            
    ## Specify system openmpi
    ## ~~~~~~~~~~~~~~~~~~~~~~
    export WM_MPLIB=INTELMPI


6) Go to OpenFOAM-bp, source .bashrc and make all. Instruction, type in terminal:

    source ~/.bashrc
    ./Allwmake -j

7) Make in Thirdparty as well (If you want you can do clean and then make):

    ./Allclean
    ./Allwmake

8) Just to make sure everything was installed properly, go back to OpenFOAM-dev 
and do an Allwmake to log. Instruction:

./Allwmake >& log&

This will run quickly since everything was compiled already. Check the log file 
for any errors. There may be an error for paraview which the next step should 
fix. 
 
9) Paraview can be installed for postprocessing the results obtained from the 
CFD simulations. 
To install paraview, open the ThirdParty directory and type the following 
command:

    ./makeParaView

Multiphase CFD simulations
--------------------------

General Description of the multiphase CFD cases

Each CFD case has three folders named, 0.org, constant, and system. The 0.org 
folder contains he files where the initial and boundary conditions are specified 
for the problem. The system directory contains files for the execution of the 
solver. The constant directory is where the phases and their properties are 
defined. The reactions are defined in this directory as well. Each phase can be 
made up multiple species. The thermodynamic properties of each species of each 
phase are specified in the constant directory. For cold flow simulations, only 
phases are specified. 

Running a cold-flow simulation:

The solver for these simulations is located under:
    home/OpenFOAM/OpenFOAM-ktgf/applications/solvers/multiphase/reactingEulerFoam

Specifically, the reactingEulerFoam/reactingMultiphaseEulerFoam solver is used 
for defining more than two phases

Two tutorial files are provided for the CFD simulations of bidisperse cold flow 
in a fluidized bed. 
These are a) 3D simulations of biomass and sand mixing in the fluidized bed, 
and b) the segregation of sand and glass beads in a fluidized bed. 
The tutorial for running a bi-disperse simulation of a fluidized can be found 
here:

    home/OpenFOAM/OpenFOAM-ktgf/tutorials/multiphase/reactingMultliphaseEulerFoam/laminar/mixingFluidizedBed/biomassPyrolysisReactor3D

    home/OpenFOAM/OpenFOAM-ktgf/tutorials/multiphase/reactingMultliphaseEulerFoam/laminar/mixingFluidizedBed/segregation2D

To run the simulations navigate to the location with Linux terminal and execute the following:

    cp -r 0.org 0
    blockMesh
    setFields
    reactingMultiphaseEulerFoam >& log&

To run in parallel (say 8 processors):

    cp -r 0.org 0
    blockMesh
    setFields
    decomposePar
    mpirun -n 8 reactingMultiphaseEulerFoam -parallel >& log&

Note that these will run the simulations in the background and write the output 
to the log file. To view this type: 

    tail -f log

Running a biomass pyrolysis simulation:

The solver for these simulations is located under:
home/OpenFOAM/OpenFOAM-bp/applications/solvers/multiphase/reactingEulerFoam

Specifically, the reactingEulerFoam/reactingMultiphaseEulerFoam solver is used 
for defining more than two phases

Running the simulations for the reactions simulations of biomass are exactly the 
same as for the cold flow simulations. 

A tutorial case with the Ranzi devolatilization and char combustion is provided, 
and can be found here:

    home/OpenFOAM/OpenFOAM-bp/tutorials/multiphase/reactingMultliphaseEulerFoam/laminar/biomassPyrolysis/ranziDevolCharCombustion


Zero dimensional chemsitry solver
---------------------------------

General description of the chemistry solver

The chemistry solver chemFoam like the mCFD solvers, also have a 0, constant, 
and a system directory. However, the initial compositions of the species are 
defined from the constant directory through the file called initialConditions. 


Running a biomass pyrolysis chemistry solver:

The solver for these simulations is in:

    home/OpenFOAM/OpenFOAM-bp/applications/solvers/combustion/chemFoam

Tutorials for the chemistry solver chemFoam can be found here:

    home/OpenFOAM/OpenFOAM-bp/tutorials/combustion/chemFoam/biomassPyrolysis

Several tutorials can be found here. There are including:

    1) Only the Ranzi devolatilization mechanism 
    2) Char combustion mechanism along with the Ranzi devolatilization
    3) The full mechanism with devolatilization, char combustion and CRECK 
       mechanism
    4) Only the CRECK mechanism 

To run these simulations, in the terminal use the following command:

    chemFoam

The chemistry solver creates an chemFoam.out file that prints out the mass 
fraction of each species in time. The order of the species is as per the order 
defined in the constant/thermo file, starting with the column number 6. The 
evolution of the species can be plotted using gnuplot through the terminal. 

For example (assuming you have this installed), in the terminal type:

    gnuplot
    plot ‘chemFoam.out’ u 1:6 with lines title “mySpeice 1” lt -1

This will plot the mass fraction of your first species (column 6) in y-axis vs 
time (column 1) in x-axis