diff --git a/constant/methane-1step/reactions b/constant/methane-1step/reactions new file mode 100644 index 0000000..e548bae --- /dev/null +++ b/constant/methane-1step/reactions @@ -0,0 +1,20 @@ +species +( + O2 + H2O + CH4 + CO2 + N2 +); + +reactions +{ + methaneReaction + { + type irreversibleArrheniusReaction; + reaction "CH4 + 2O2 = CO2 + 2H2O"; + A 5.2e16; + beta 0; + Ta 14906; + } +} diff --git a/constant/methane-1step/thermo.compressibleGas b/constant/methane-1step/thermo.compressibleGas new file mode 100644 index 0000000..ffff2de --- /dev/null +++ b/constant/methane-1step/thermo.compressibleGas @@ -0,0 +1,129 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.4.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object thermo.compressibleGas; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +O2 +{ + specie + { + nMoles 1; + molWeight 31.9988; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 3.69758 0.00061352 -1.25884e-07 1.77528e-11 -1.13644e-15 -1233.93 3.18917 ); + lowCpCoeffs ( 3.21294 0.00112749 -5.75615e-07 1.31388e-09 -8.76855e-13 -1005.25 6.03474 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +H2O +{ + specie + { + nMoles 1; + molWeight 18.0153; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 2.67215 0.00305629 -8.73026e-07 1.201e-10 -6.39162e-15 -29899.2 6.86282 ); + lowCpCoeffs ( 3.38684 0.00347498 -6.3547e-06 6.96858e-09 -2.50659e-12 -30208.1 2.59023 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +CH4 +{ + specie + { + nMoles 1; + molWeight 16.0428; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 1.63543 0.0100844 -3.36924e-06 5.34973e-10 -3.15528e-14 -10005.6 9.9937 ); + lowCpCoeffs ( 5.14988 -0.013671 4.91801e-05 -4.84744e-08 1.66694e-11 -10246.6 -4.64132 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 4.45362 0.00314017 -1.27841e-06 2.394e-10 -1.66903e-14 -48967 -0.955396 ); + lowCpCoeffs ( 2.27572 0.00992207 -1.04091e-05 6.86669e-09 -2.11728e-12 -48373.1 10.1885 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +N2 +{ + specie + { + nMoles 1; + molWeight 28.0134; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 2.92664 0.00148798 -5.68476e-07 1.0097e-10 -6.75335e-15 -922.798 5.98053 ); + lowCpCoeffs ( 3.29868 0.00140824 -3.96322e-06 5.64152e-09 -2.44486e-12 -1020.9 3.95037 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + + +// ************************************************************************* //