owen0312 / firesmoke

FiReSMOKE, a collection of finite-rate chemistry solvers for combustion simulations for OpenFOAM

FiReSMOKE

Finite Rate solvers for OpenFOAM based on the OpenSMOKE++ framework The fireSMOKE requires one of the following OpenFOAM versions:

• OpenFOAM-7.x
• OpenFOAM-4.x
• OpenFOAM-2.4
• OpenFOAM-2.3
• OpenFOAM-2.2

If you use fireSMOKE 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 fireSMOKE)
• Eigen (http://eigen.tuxfamily.org/index.php?title=Main_Page)
• RapidXML (http://rapidxml.sourceforge.net/)
• Boost C++ (http://www.boost.org/)

Optional libraries

• Intel 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

Three 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 MKL: only the native OpenSMOKE++ ODE solver can be used, but linear algebra operations are managed by the Intel 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

4. Instructions to compile the Minimalist version

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1. Open the mybashrc.minimalist and adjust the paths to the compulsory external libraries (in particular choose the OpenFOAM version you are working with)

2. Type: source mybashrc.minimalist

3. Compile the steady-state solver: from the solver/fireSimpleSMOKE folder type wmake

4. Compile the unsteady solver: from the solver/firePimpleSMOKE folder type wmake

5. Instructions to compile the Minimalist+MKL version

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1. Open the mybashrc.minimalist.mkl and adjust the paths to the compulsory external libraries and the paths to the Intel MKL library (in particular choose the OpenFOAM version you are working with)

2. Type: source mybashrc.minimalist.mkl

3. Compile the steady-state solver: from the solver/fireSimpleSMOKE folder type wmake

4. Compile the unsteady solver: from the solver/firePimpleSMOKE folder type wmake

5. Instructions to compile the Complete version

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1. Open the mybashrc.complete and adjust the paths to the compulsory external libraries and the Intel MKL library (in particular choose the OpenFOAM version you are working with). You can choose the additional external libraries you want to add to fireSMOKE, by modifying the EXTERNAL_ODE_SOLVERS variable: in particular 1 means that the support is requested, while 0 means that no support is requested. Obviously, for each requested library, you need to provide the correct path.

2. Type: source mybashrc.complete

3. Compile the steady-state solver: from the solver/fireSimpleSMOKE folder type wmake

4. Compile the unsteady solver: from the solver/firePimpleSMOKE folder type wmake

5. Run the tutorials

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The 'run' folder contains two simple test cases (Sandia D turbulent jet flame).

1. To run the case, it is necessary to create the 'kinetics.xml' file present in the 'kinetics' folder. The file is created by the kinetics pre-processor of the 'OpenSMOKE++ Suite' framework which uses chemkin format mechanisms as input. The paths in 'constant/thermophysicalProperties' must be then modified accordingly.

2. Unsteady simulation: open 'run/tutorials/Sandia_D' folder, build the mesh using 'blockMesh', and run the case using 'firePimpleSMOKE' solver. We suggest to always start the calculations with the reactions switched off and to switch them on after the velocity, temperature and species have evolved reasonably.

3. Dynamic PaSR simulation: open 'run/tutorials/Sandia_D_dynamic' folder, build the mesh using 'blockMesh', and run the case using 'firePimpleSMOKE' solver. To start the case, we suggest to switch on the 'dynamicCmixEquations' on while keeping 'globalScale' as 'tauMixType' option to start the 'f', 'varf' and 'Chi' fields. After that, the 'dynamicScale' option can be selected as 'tauMixType'. As a general guideline, we suggest to always start from a 'globalScale' solution before attempting a dynamic PaSR simulation. Moreover, usually the dynamic model requires a finer mesh.