edcSMOKE++

EDC (Eddy Dissipation Concept) for OpenFOAM based on the OpenSMOKE++ framework.
The edcSMOKE++ framework is available for the following OpenFOAM versions:

• OpenFOAM-10

If you use edcSMOKE++ for your publications, we kindly ask you to cite the following two papers:

Parente, A., Malik, R.M., Contino, F., Cuoci, A., Dally, B.,
Extension of the Eddy Dissipation Concept for turbulence/chemistry interactions to MILD combustion
(2016) Fuel, 163, pp. 98-111, DOI: 10.1016/j.fuel.2015.09.020

Cuoci, A., Frassoldati, A., Faravelli, T., Ranzi, E.,
OpenSMOKE++: An object-oriented framework for the numerical modeling of reactive systems with detailed kinetic mechanisms
(2015) Computer Physics Communications, 192, pp. 237-264, DOI: 10.1016/j.cpc.2015.02.014

Compulsory libraries

• OpenSMOKE++ (already included in edcSMOKE++)
• Eigen (http://eigen.tuxfamily.org/index.php?title=Main_Page)
• Boost C++ (http://www.boost.org/)

Optional libraries

• Intel OneAPI MKL (https://software.intel.com/en-us/intel-mkl)
• ODEPACK (http://computation.llnl.gov/casc/odepack/odepack_home.html)
• DVODE (http://computation.llnl.gov/casc/odepack/odepack_home.html)
• DASPK (http://www.engineering.ucsb.edu/~cse/software.html)
• Sundials (http://computation.llnl.gov/casc/sundials/main.html)
• MEBDF (http://wwwf.imperial.ac.uk/~jcash/IVP_software/readme.html)
• RADAU (http://www.unige.ch/~hairer/software.html)

Compilation

Two main different options are available to compile the code, according to the level of support for the solution of ODE systems:

1. Minimalist: no external, optional libraries are required. Only the native OpenSMOKE++ ODE solver can be used.
2. Minimalist + Intel OneAPI MKL: only the native OpenSMOKE++ ODE solver can be used, but linear algebra operations are managed by the Intel OneAPI MKL libraries
3. Complete: all the optional libraries are linked to the code, in order to have the possibility to work with different ODE solvers

1. Instructions to compile the Minimalist version

1. Copy the mybashrc.minimalist file as mybashrc.local by typing: cp mybashrc.minimalist source mybashrc.local
2. Adjust the paths to the compulsory libraries in the mybashrc.local file
3. Type: source mybashrc.local
4. Compile the kinetic pre-processor: from the solver/chemkin2OpenSMOKE++PreProcessor folder, type wmake
5. Compile the steady-state solver: from the solver/edcSimpleSMOKE folder, type wmake
6. Compile the unsteady solver: from the solver/edcPimpleSMOKE folder type wmake

2. Instructions to compile the Minimalist+MKL version

1. Copy the mybashrc.minimalist.mkl file as mybashrc.local by typing: cp mybashrc.minimalist.mkl source mybashrc.local
2. Adjust the paths to the compulsory libraries in the mybashrc.local file
3. Adjust the paths to the Intel OneAPI MKL libraries in the mybashrc.local file
4. Type: source mybashrc.local
5. Compile the kinetic pre-processor: from the solver/chemkin2OpenSMOKE++PreProcessor folder, type wmake
6. Compile the steady-state solver: from the solver/edcSimpleSMOKE folder, type wmake
7. Compile the unsteady solver: from the solver/edcPimpleSMOKE folder type wmake

Preprocessing of CHEMKIN files

In order to run a simulation with edcSMOKE++, a CHEMKIN mechanism (kinetics, thermodynamic and transport properties) has to be pre-processed using the chemkin2OpenSMOKE++PreProcessor utility (see above).
Examples of mechanisms ready to be pre-processed are available in the run/kinetic-mechanisms folder. In particular, for in each mechanism folder you can find the three files corresponding to the CHEMKIN input (kinetics, thermodynamics, and transport properties) and an additional input.dic file, containing the instructions for the chemkin2OpenSMOKE++PreProcessor.
In order to pre-process a kinetic mechanisms, the operations to carry out are very simple. As an example, for POLIMI_H2CO_1412 mechanism:

1. Go to the run/kinetic-mechanisms/POLIMI_H2CO_1412
2. Type chemkin2OpenSMOKE++PreProcessor
3. If everything works correctly, a kinetics-POLIMI_H2CO_1412 folder will be created, including the preprocessed CHEMKIN files (in XML folder). This is the folder which has to be supplied to the edcSMOKE++ solvers.