chemistryProperties

/*---------------------------------------------------------------------------*\
| =========                 |                                                 |
| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
|  \\    /   O peration     | Version:  1.0                                   |
|   \\  /    A nd           | Web:      http://www.openfoam.org               |
|    \\/     M anipulation  |                                                 |
\*---------------------------------------------------------------------------*/

FoamFile
{
version  			2.0;
format   			ascii;
class 				dictionary;
object 				chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //



psiChemistryModel	ODEChemistryModel<gasThermoPhysics>;
psiTDACChemistryModel	TDACChemistryModel<gasThermoPhysics>;


chemistry	on;
//chemistry				off;

chemistrySolverTDAC			odeTDAC;
//chemistrySolver		EulerImplicit;
//chemistrySolver		sequential;

initialChemicalTimeStep		1.0e-7;
//initialChemicalTimeStep		1.0;

sequentialCoeffs
{
	cTauChem		1.0e-3;
	equilibriumRateLimiter		on;
}

EulerImplicitCoeffs
{
	cTauChem		5.0e-1;
//	cTauChem		5.0e-2;
	equilibriumRateLimiter		off;
}

odeTDACCoeffs
{
	ODESolver		SIBS;
	eps			1.0e-03;
	scale			1.0;
}

mechanismReduction
{
NGroupBased		10;
	online			on;
//	online			off;
//	reductionAlgorithm	DRG;
//	epsDAC			1.0e-3;
        reductionAlgorithm	DRG;
	epsDAC                  2.0e-2;
        initialSet
        {
                NC7H16;
                CO;
                HO2;
        }
}

outputSpecies
{
        NC7H16;
        CO;
	CO2;
        CH2O;
}



tabulation
{
        online                  on;
	//online			off;

	tabulationAlgorithm	ISAT;

        tolerance               1e-6;

	checkUsed		1;
        
	checkGrown		400;	
	
	//parameter multiplied by the meshSize and compared to the number of visited cell
	//when this number reach a threslhold, the cleanAndBalance function of ISAT is called
	checkTab		1;

	maxElements             1000;

        //maximum number of points failing to be retrieve before handling them
        maxToComputeList        100;

	//interval (in time-steps) before scanning the entire tree for old chemPoints or balancing threshold
	checkEntireTreeInterval	2;
	
	//factor that multiply the perfectly balanced tree depth 
	maxDepthFactor		2.0;
	        
	//maximum life time (in time-steps) for a chemPoints
	chPMaxLifeTime		1;
	
	//maximum number of secondry retrieve attempts
	max2ndSearch		1;
	
        cleanAll                off;

        scaleFactor
        {
            
            otherSpecies	1;
	    NC7H16		0.1;
	    CO2			0.1;
	    CO			0.1;
	    H2O			0.1;
	 /*   NXC7H16		0.01;
	    O2			0.01;
	    OH			0.01;
	    CO2			0.01;
	    HO2			0.01;
	    CO			0.01;
	*/
            Temperature 	1;
            Pressure   		1;
        } 


        
}

// ************************************************************************* //