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OpenFOAM-12/tutorials/modules/multicomponentFluid/counterFlowFlame2D_GRI/constant/reactionsGRI
Henry Weller 968e60148a New modular solver framework for single- and multi-region simulations 
in which different solver modules can be selected in each region to for complex
conjugate heat-transfer and other combined physics problems such as FSI
(fluid-structure interaction).

For single-region simulations the solver module is selected, instantiated and
executed in the PIMPLE loop in the new foamRun application.

For multi-region simulations the set of solver modules, one for each region, are
selected, instantiated and executed in the multi-region PIMPLE loop of new the
foamMultiRun application.

This provides a very general, flexible and extensible framework for complex
coupled problems by creating more solver modules, either by converting existing
solver applications or creating new ones.

The current set of solver modules provided are:

isothermalFluid
    Solver module for steady or transient turbulent flow of compressible
    isothermal fluids with optional mesh motion and mesh topology changes.

    Created from the rhoSimpleFoam, rhoPimpleFoam and buoyantFoam solvers but
    without the energy equation, hence isothermal.  The buoyant pressure
    formulation corresponding to the buoyantFoam solver is selected
    automatically by the presence of the p_rgh pressure field in the start-time
    directory.

fluid
    Solver module for steady or transient turbulent flow of compressible fluids
    with heat-transfer for HVAC and similar applications, with optional
    mesh motion and mesh topology changes.

    Derived from the isothermalFluid solver module with the addition of the
    energy equation from the rhoSimpleFoam, rhoPimpleFoam and buoyantFoam
    solvers, thus providing the equivalent functionality of these three solvers.

multicomponentFluid
    Solver module for steady or transient turbulent flow of compressible
    reacting fluids with optional mesh motion and mesh topology changes.

    Derived from the isothermalFluid solver module with the addition of
    multicomponent thermophysical properties energy and specie mass-fraction
    equations from the reactingFoam solver, thus providing the equivalent
    functionality in reactingFoam and buoyantReactingFoam.  Chemical reactions
    and/or combustion modelling may be optionally selected to simulate reacting
    systems including fires, explosions etc.

solid
    Solver module for turbulent flow of compressible fluids for conjugate heat
    transfer, HVAC and similar applications, with optional mesh motion and mesh
    topology changes.

    The solid solver module may be selected in solid regions of a CHT case, with
    either the fluid or multicomponentFluid solver module in the fluid regions
    and executed with foamMultiRun to provide functionality equivalent
    chtMultiRegionFoam but in a flexible and extensible framework for future
    extension to more complex coupled problems.

All the usual fvModels, fvConstraints, functionObjects etc. are available with
these solver modules to support simulations including body-forces, local sources,
Lagrangian clouds, liquid films etc. etc.

Converting compressibleInterFoam and multiphaseEulerFoam into solver modules
would provide a significant enhancement to the CHT capability and incompressible
solvers like pimpleFoam run in conjunction with solidDisplacementFoam in
foamMultiRun would be useful for a range of FSI problems.  Many other
combinations of existing solvers converted into solver modules could prove
useful for a very wide range of complex combined physics simulations.

All tutorials from the rhoSimpleFoam, rhoPimpleFoam, buoyantFoam, reactingFoam,
buoyantReactingFoam and chtMultiRegionFoam solver applications replaced by
solver modules have been updated and moved into the tutorials/modules directory:

modules
├── CHT
│   ├── coolingCylinder2D
│   ├── coolingSphere
│   ├── heatedDuct
│   ├── heatExchanger
│   ├── reverseBurner
│   └── shellAndTubeHeatExchanger
├── fluid
│   ├── aerofoilNACA0012
│   ├── aerofoilNACA0012Steady
│   ├── angledDuct
│   ├── angledDuctExplicitFixedCoeff
│   ├── angledDuctLTS
│   ├── annularThermalMixer
│   ├── BernardCells
│   ├── blockedChannel
│   ├── buoyantCavity
│   ├── cavity
│   ├── circuitBoardCooling
│   ├── decompressionTank
│   ├── externalCoupledCavity
│   ├── forwardStep
│   ├── helmholtzResonance
│   ├── hotRadiationRoom
│   ├── hotRadiationRoomFvDOM
│   ├── hotRoom
│   ├── hotRoomBoussinesq
│   ├── hotRoomBoussinesqSteady
│   ├── hotRoomComfort
│   ├── iglooWithFridges
│   ├── mixerVessel2DMRF
│   ├── nacaAirfoil
│   ├── pitzDaily
│   ├── prism
│   ├── shockTube
│   ├── squareBend
│   ├── squareBendLiq
│   └── squareBendLiqSteady
└── multicomponentFluid
    ├── aachenBomb
    ├── counterFlowFlame2D
    ├── counterFlowFlame2D_GRI
    ├── counterFlowFlame2D_GRI_TDAC
    ├── counterFlowFlame2DLTS
    ├── counterFlowFlame2DLTS_GRI_TDAC
    ├── cylinder
    ├── DLR_A_LTS
    ├── filter
    ├── hotBoxes
    ├── membrane
    ├── parcelInBox
    ├── rivuletPanel
    ├── SandiaD_LTS
    ├── simplifiedSiwek
    ├── smallPoolFire2D
    ├── smallPoolFire3D
    ├── splashPanel
    ├── verticalChannel
    ├── verticalChannelLTS
    └── verticalChannelSteady

Also redirection scripts are provided for the replaced solvers which call
foamRun -solver <solver module name> or foamMultiRun in the case of
chtMultiRegionFoam for backward-compatibility.

Documentation for foamRun and foamMultiRun:

Application
    foamRun

Description
    Loads and executes an OpenFOAM solver module either specified by the
    optional \c solver entry in the \c controlDict or as a command-line
    argument.

    Uses the flexible PIMPLE (PISO-SIMPLE) solution for time-resolved and
    pseudo-transient and steady simulations.

Usage
    \b foamRun [OPTION]

      - \par -solver <name>
        Solver name

      - \par -libs '(\"lib1.so\" ... \"libN.so\")'
        Specify the additional libraries loaded

    Example usage:
      - To run a \c rhoPimpleFoam case by specifying the solver on the
        command line:
        \verbatim
            foamRun -solver fluid
        \endverbatim

      - To update and run a \c rhoPimpleFoam case add the following entries to
        the controlDict:
        \verbatim
            application     foamRun;

            solver          fluid;
        \endverbatim
        then execute \c foamRun

Application
    foamMultiRun

Description
    Loads and executes an OpenFOAM solver modules for each region of a
    multiregion simulation e.g. for conjugate heat transfer.

    The region solvers are specified in the \c regionSolvers dictionary entry in
    \c controlDict, containing a list of pairs of region and solver names,
    e.g. for a two region case with one fluid region named
    liquid and one solid region named tubeWall:
    \verbatim
        regionSolvers
        {
            liquid          fluid;
            tubeWall        solid;
        }
    \endverbatim

    The \c regionSolvers entry is a dictionary to support name substitutions to
    simplify the specification of a single solver type for a set of
    regions, e.g.
    \verbatim
        fluidSolver     fluid;
        solidSolver     solid;

        regionSolvers
        {
            tube1             $fluidSolver;
            tubeWall1         solid;
            tube2             $fluidSolver;
            tubeWall2         solid;
            tube3             $fluidSolver;
            tubeWall3         solid;
        }
    \endverbatim

    Uses the flexible PIMPLE (PISO-SIMPLE) solution for time-resolved and
    pseudo-transient and steady simulations.

Usage
    \b foamMultiRun [OPTION]

      - \par -libs '(\"lib1.so\" ... \"libN.so\")'
        Specify the additional libraries loaded

    Example usage:
      - To update and run a \c chtMultiRegion case add the following entries to
        the controlDict:
        \verbatim
            application     foamMultiRun;

            regionSolvers
            {
                fluid           fluid;
                solid           solid;
            }
        \endverbatim
        then execute \c foamMultiRun
2022-08-04 21:11:35 +01:00

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reactions
{
un-named-reaction-0
{
type reversibleArrhenius;
reaction "O + H2 = H + OH";
A 38.7;
beta 2.7;
Ta 3149.98;
}
un-named-reaction-1
{
type reversibleArrhenius;
reaction "O + HO2 = OH + O2";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-2
{
type reversibleArrhenius;
reaction "O + H2O2 = OH + HO2";
A 9630;
beta 2;
Ta 2012.76;
}
un-named-reaction-3
{
type reversibleArrhenius;
reaction "O + CH = H + CO";
A 5.7e+10;
beta 0;
Ta 0;
}
un-named-reaction-4
{
type reversibleArrhenius;
reaction "O + CH2 = H + HCO";
A 8e+10;
beta 0;
Ta 0;
}
un-named-reaction-5
{
type reversibleArrhenius;
reaction "O + CH2(S) = H2 + CO";
A 1.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-6
{
type reversibleArrhenius;
reaction "O + CH2(S) = H + HCO";
A 1.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-7
{
type reversibleArrhenius;
reaction "O + CH3 = H + CH2O";
A 5.06e+10;
beta 0;
Ta 0;
}
un-named-reaction-8
{
type reversibleArrhenius;
reaction "O + CH4 = OH + CH3";
A 1.02e+06;
beta 1.5;
Ta 4327.44;
}
un-named-reaction-9
{
type reversibleArrhenius;
reaction "O + HCO = OH + CO";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-10
{
type reversibleArrhenius;
reaction "O + HCO = H + CO2";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-11
{
type reversibleArrhenius;
reaction "O + CH2O = OH + HCO";
A 3.9e+10;
beta 0;
Ta 1781.3;
}
un-named-reaction-12
{
type reversibleArrhenius;
reaction "O + CH2OH = OH + CH2O";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-13
{
type reversibleArrhenius;
reaction "O + CH3O = OH + CH2O";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-14
{
type reversibleArrhenius;
reaction "O + CH3OH = OH + CH2OH";
A 388;
beta 2.5;
Ta 1559.89;
}
un-named-reaction-15
{
type reversibleArrhenius;
reaction "O + CH3OH = OH + CH3O";
A 130;
beta 2.5;
Ta 2515.96;
}
un-named-reaction-16
{
type reversibleArrhenius;
reaction "O + C2H = CH + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-17
{
type reversibleArrhenius;
reaction "O + C2H2 = H + HCCO";
A 13500;
beta 2;
Ta 956.063;
}
un-named-reaction-18
{
type reversibleArrhenius;
reaction "O + C2H2 = OH + C2H";
A 4.6e+16;
beta -1.41;
Ta 14567.4;
}
un-named-reaction-19
{
type reversibleArrhenius;
reaction "O + C2H2 = CO + CH2";
A 6940;
beta 2;
Ta 956.063;
}
un-named-reaction-20
{
type reversibleArrhenius;
reaction "O + C2H3 = H + CH2CO";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-21
{
type reversibleArrhenius;
reaction "O + C2H4 = CH3 + HCO";
A 12500;
beta 1.83;
Ta 110.702;
}
un-named-reaction-22
{
type reversibleArrhenius;
reaction "O + C2H5 = CH3 + CH2O";
A 2.24e+10;
beta 0;
Ta 0;
}
un-named-reaction-23
{
type reversibleArrhenius;
reaction "O + C2H6 = OH + C2H5";
A 89800;
beta 1.92;
Ta 2863.16;
}
un-named-reaction-24
{
type reversibleArrhenius;
reaction "O + HCCO = H + 2CO";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-25
{
type reversibleArrhenius;
reaction "O + CH2CO = OH + HCCO";
A 1e+10;
beta 0;
Ta 4025.53;
}
un-named-reaction-26
{
type reversibleArrhenius;
reaction "O + CH2CO = CH2 + CO2";
A 1.75e+09;
beta 0;
Ta 679.308;
}
un-named-reaction-27
{
type reversibleArrhenius;
reaction "O2 + CO = O + CO2";
A 2.5e+09;
beta 0;
Ta 24052.5;
}
un-named-reaction-28
{
type reversibleArrhenius;
reaction "O2 + CH2O = HO2 + HCO";
A 1e+11;
beta 0;
Ta 20127.6;
}
un-named-reaction-29
{
type reversibleArrhenius;
reaction "H + 2O2 = HO2 + O2";
A 2.08e+13;
beta -1.24;
Ta 0;
}
un-named-reaction-30
{
type reversibleArrhenius;
reaction "H + O2 + H2O = HO2 + H2O";
A 1.126e+13;
beta -0.76;
Ta 0;
}
un-named-reaction-31
{
type reversibleArrhenius;
reaction "H + O2 + N2 = HO2 + N2";
A 2.6e+13;
beta -1.24;
Ta 0;
}
un-named-reaction-32
{
type reversibleArrhenius;
reaction "H + O2 + AR = HO2 + AR";
A 7e+11;
beta -0.8;
Ta 0;
}
un-named-reaction-33
{
type reversibleArrhenius;
reaction "H + O2 = O + OH";
A 2.65e+13;
beta -0.6707;
Ta 8574.88;
}
un-named-reaction-34
{
type reversibleArrhenius;
reaction "2H + H2 = 2H2";
A 9e+10;
beta -0.6;
Ta 0;
}
un-named-reaction-35
{
type reversibleArrhenius;
reaction "2H + H2O = H2 + H2O";
A 6e+13;
beta -1.25;
Ta 0;
}
un-named-reaction-36
{
type reversibleArrhenius;
reaction "2H + CO2 = H2 + CO2";
A 5.5e+14;
beta -2;
Ta 0;
}
un-named-reaction-37
{
type reversibleArrhenius;
reaction "H + HO2 = O + H2O";
A 3.97e+09;
beta 0;
Ta 337.641;
}
un-named-reaction-38
{
type reversibleArrhenius;
reaction "H + HO2 = O2 + H2";
A 4.48e+10;
beta 0;
Ta 537.408;
}
un-named-reaction-39
{
type reversibleArrhenius;
reaction "H + HO2 = 2OH";
A 8.4e+10;
beta 0;
Ta 319.526;
}
un-named-reaction-40
{
type reversibleArrhenius;
reaction "H + H2O2 = HO2 + H2";
A 12100;
beta 2;
Ta 2616.59;
}
un-named-reaction-41
{
type reversibleArrhenius;
reaction "H + H2O2 = OH + H2O";
A 1e+10;
beta 0;
Ta 1811.49;
}
un-named-reaction-42
{
type reversibleArrhenius;
reaction "H + CH = C + H2";
A 1.65e+11;
beta 0;
Ta 0;
}
un-named-reaction-43
{
type reversibleArrhenius;
reaction "H + CH2(S) = CH + H2";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-44
{
type reversibleArrhenius;
reaction "H + CH4 = CH3 + H2";
A 660000;
beta 1.62;
Ta 5454.59;
}
un-named-reaction-45
{
type reversibleArrhenius;
reaction "H + HCO = H2 + CO";
A 7.34e+10;
beta 0;
Ta 0;
}
un-named-reaction-46
{
type reversibleArrhenius;
reaction "H + CH2O = HCO + H2";
A 57400;
beta 1.9;
Ta 1379.75;
}
un-named-reaction-47
{
type reversibleArrhenius;
reaction "H + CH2OH = H2 + CH2O";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-48
{
type reversibleArrhenius;
reaction "H + CH2OH = OH + CH3";
A 1.65e+08;
beta 0.65;
Ta -142.906;
}
un-named-reaction-49
{
type reversibleArrhenius;
reaction "H + CH2OH = CH2(S) + H2O";
A 3.28e+10;
beta -0.09;
Ta 306.947;
}
un-named-reaction-50
{
type reversibleArrhenius;
reaction "H + CH3O = H + CH2OH";
A 41500;
beta 1.63;
Ta 968.14;
}
un-named-reaction-51
{
type reversibleArrhenius;
reaction "H + CH3O = H2 + CH2O";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-52
{
type reversibleArrhenius;
reaction "H + CH3O = OH + CH3";
A 1.5e+09;
beta 0.5;
Ta -55.351;
}
un-named-reaction-53
{
type reversibleArrhenius;
reaction "H + CH3O = CH2(S) + H2O";
A 2.62e+11;
beta -0.23;
Ta 538.415;
}
un-named-reaction-54
{
type reversibleArrhenius;
reaction "H + CH3OH = CH2OH + H2";
A 17000;
beta 2.1;
Ta 2450.54;
}
un-named-reaction-55
{
type reversibleArrhenius;
reaction "H + CH3OH = CH3O + H2";
A 4200;
beta 2.1;
Ta 2450.54;
}
un-named-reaction-56
{
type reversibleArrhenius;
reaction "H + C2H3 = H2 + C2H2";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-57
{
type reversibleArrhenius;
reaction "H + C2H4 = C2H3 + H2";
A 1325;
beta 2.53;
Ta 6159.06;
}
un-named-reaction-58
{
type reversibleArrhenius;
reaction "H + C2H5 = H2 + C2H4";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-59
{
type reversibleArrhenius;
reaction "H + C2H6 = C2H5 + H2";
A 115000;
beta 1.9;
Ta 3789.03;
}
un-named-reaction-60
{
type reversibleArrhenius;
reaction "H + HCCO = CH2(S) + CO";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-61
{
type reversibleArrhenius;
reaction "H + CH2CO = HCCO + H2";
A 5e+10;
beta 0;
Ta 4025.53;
}
un-named-reaction-62
{
type reversibleArrhenius;
reaction "H + CH2CO = CH3 + CO";
A 1.13e+10;
beta 0;
Ta 1724.94;
}
un-named-reaction-63
{
type reversibleArrhenius;
reaction "H + HCCOH = H + CH2CO";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-64
{
type reversibleArrhenius;
reaction "OH + H2 = H + H2O";
A 216000;
beta 1.51;
Ta 1725.95;
}
un-named-reaction-65
{
type reversibleArrhenius;
reaction "2OH = O + H2O";
A 35.7;
beta 2.4;
Ta -1061.73;
}
un-named-reaction-66
{
type reversibleArrhenius;
reaction "OH + HO2 = O2 + H2O";
A 1.45e+10;
beta 0;
Ta -251.596;
}
un-named-reaction-67
{
type reversibleArrhenius;
reaction "OH + H2O2 = HO2 + H2O";
A 2e+09;
beta 0;
Ta 214.863;
}
un-named-reaction-68
{
type reversibleArrhenius;
reaction "OH + H2O2 = HO2 + H2O";
A 1.7e+15;
beta 0;
Ta 14798.9;
}
un-named-reaction-69
{
type reversibleArrhenius;
reaction "OH + C = H + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-70
{
type reversibleArrhenius;
reaction "OH + CH = H + HCO";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-71
{
type reversibleArrhenius;
reaction "OH + CH2 = H + CH2O";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-72
{
type reversibleArrhenius;
reaction "OH + CH2 = CH + H2O";
A 11300;
beta 2;
Ta 1509.57;
}
un-named-reaction-73
{
type reversibleArrhenius;
reaction "OH + CH2(S) = H + CH2O";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-74
{
type reversibleArrhenius;
reaction "OH + CH3 = CH2 + H2O";
A 56000;
beta 1.6;
Ta 2727.3;
}
un-named-reaction-75
{
type reversibleArrhenius;
reaction "OH + CH3 = CH2(S) + H2O";
A 6.44e+14;
beta -1.34;
Ta 713.022;
}
un-named-reaction-76
{
type reversibleArrhenius;
reaction "OH + CH4 = CH3 + H2O";
A 100000;
beta 1.6;
Ta 1569.96;
}
un-named-reaction-77
{
type reversibleArrhenius;
reaction "OH + CO = H + CO2";
A 47600;
beta 1.228;
Ta 35.2234;
}
un-named-reaction-78
{
type reversibleArrhenius;
reaction "OH + HCO = H2O + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-79
{
type reversibleArrhenius;
reaction "OH + CH2O = HCO + H2O";
A 3.43e+06;
beta 1.18;
Ta -224.926;
}
un-named-reaction-80
{
type reversibleArrhenius;
reaction "OH + CH2OH = H2O + CH2O";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-81
{
type reversibleArrhenius;
reaction "OH + CH3O = H2O + CH2O";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-82
{
type reversibleArrhenius;
reaction "OH + CH3OH = CH2OH + H2O";
A 1440;
beta 2;
Ta -422.681;
}
un-named-reaction-83
{
type reversibleArrhenius;
reaction "OH + CH3OH = CH3O + H2O";
A 6300;
beta 2;
Ta 754.787;
}
un-named-reaction-84
{
type reversibleArrhenius;
reaction "OH + C2H = H + HCCO";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-85
{
type reversibleArrhenius;
reaction "OH + C2H2 = H + CH2CO";
A 2.18e-07;
beta 4.5;
Ta -503.191;
}
un-named-reaction-86
{
type reversibleArrhenius;
reaction "OH + C2H2 = H + HCCOH";
A 504;
beta 2.3;
Ta 6793.08;
}
un-named-reaction-87
{
type reversibleArrhenius;
reaction "OH + C2H2 = C2H + H2O";
A 33700;
beta 2;
Ta 7044.68;
}
un-named-reaction-88
{
type reversibleArrhenius;
reaction "OH + C2H2 = CH3 + CO";
A 4.83e-07;
beta 4;
Ta -1006.38;
}
un-named-reaction-89
{
type reversibleArrhenius;
reaction "OH + C2H3 = H2O + C2H2";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-90
{
type reversibleArrhenius;
reaction "OH + C2H4 = C2H3 + H2O";
A 3600;
beta 2;
Ta 1257.98;
}
un-named-reaction-91
{
type reversibleArrhenius;
reaction "OH + C2H6 = C2H5 + H2O";
A 3540;
beta 2.12;
Ta 437.776;
}
un-named-reaction-92
{
type reversibleArrhenius;
reaction "OH + CH2CO = HCCO + H2O";
A 7.5e+09;
beta 0;
Ta 1006.38;
}
un-named-reaction-93
{
type reversibleArrhenius;
reaction "2HO2 = O2 + H2O2";
A 1.3e+08;
beta 0;
Ta -820.202;
}
un-named-reaction-94
{
type reversibleArrhenius;
reaction "2HO2 = O2 + H2O2";
A 4.2e+11;
beta 0;
Ta 6038.29;
}
un-named-reaction-95
{
type reversibleArrhenius;
reaction "HO2 + CH2 = OH + CH2O";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-96
{
type reversibleArrhenius;
reaction "HO2 + CH3 = O2 + CH4";
A 1e+09;
beta 0;
Ta 0;
}
un-named-reaction-97
{
type reversibleArrhenius;
reaction "HO2 + CH3 = OH + CH3O";
A 3.78e+10;
beta 0;
Ta 0;
}
un-named-reaction-98
{
type reversibleArrhenius;
reaction "HO2 + CO = OH + CO2";
A 1.5e+11;
beta 0;
Ta 11875.3;
}
un-named-reaction-99
{
type reversibleArrhenius;
reaction "HO2 + CH2O = HCO + H2O2";
A 5600;
beta 2;
Ta 6038.29;
}
un-named-reaction-100
{
type reversibleArrhenius;
reaction "C + O2 = O + CO";
A 5.8e+10;
beta 0;
Ta 289.838;
}
un-named-reaction-101
{
type reversibleArrhenius;
reaction "C + CH2 = H + C2H";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-102
{
type reversibleArrhenius;
reaction "C + CH3 = H + C2H2";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-103
{
type reversibleArrhenius;
reaction "CH + O2 = O + HCO";
A 6.71e+10;
beta 0;
Ta 0;
}
un-named-reaction-104
{
type reversibleArrhenius;
reaction "CH + H2 = H + CH2";
A 1.08e+11;
beta 0;
Ta 1564.92;
}
un-named-reaction-105
{
type reversibleArrhenius;
reaction "CH + H2O = H + CH2O";
A 5.71e+09;
beta 0;
Ta -379.909;
}
un-named-reaction-106
{
type reversibleArrhenius;
reaction "CH + CH2 = H + C2H2";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-107
{
type reversibleArrhenius;
reaction "CH + CH3 = H + C2H3";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-108
{
type reversibleArrhenius;
reaction "CH + CH4 = H + C2H4";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-109
{
type reversibleArrhenius;
reaction "CH + CO2 = HCO + CO";
A 1.9e+11;
beta 0;
Ta 7946.4;
}
un-named-reaction-110
{
type reversibleArrhenius;
reaction "CH + CH2O = H + CH2CO";
A 9.46e+10;
beta 0;
Ta -259.143;
}
un-named-reaction-111
{
type reversibleArrhenius;
reaction "CH + HCCO = CO + C2H2";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-112
{
type irreversibleArrhenius;
reaction "CH2 + O2 = OH + H + CO";
A 5e+09;
beta 0;
Ta 754.787;
}
un-named-reaction-113
{
type reversibleArrhenius;
reaction "CH2 + H2 = H + CH3";
A 500;
beta 2;
Ta 3638.07;
}
un-named-reaction-114
{
type reversibleArrhenius;
reaction "2CH2 = H2 + C2H2";
A 1.6e+12;
beta 0;
Ta 6010.12;
}
un-named-reaction-115
{
type reversibleArrhenius;
reaction "CH2 + CH3 = H + C2H4";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-116
{
type reversibleArrhenius;
reaction "CH2 + CH4 = 2CH3";
A 2460;
beta 2;
Ta 4161.39;
}
un-named-reaction-117
{
type reversibleArrhenius;
reaction "CH2 + HCCO = C2H3 + CO";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-118
{
type reversibleArrhenius;
reaction "CH2(S) + N2 = CH2 + N2";
A 1.5e+10;
beta 0;
Ta 301.915;
}
un-named-reaction-119
{
type reversibleArrhenius;
reaction "CH2(S) + AR = CH2 + AR";
A 9e+09;
beta 0;
Ta 301.915;
}
un-named-reaction-120
{
type reversibleArrhenius;
reaction "CH2(S) + O2 = H + OH + CO";
A 2.8e+10;
beta 0;
Ta 0;
}
un-named-reaction-121
{
type reversibleArrhenius;
reaction "CH2(S) + O2 = CO + H2O";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-122
{
type reversibleArrhenius;
reaction "CH2(S) + H2 = CH3 + H";
A 7e+10;
beta 0;
Ta 0;
}
un-named-reaction-123
{
type reversibleArrhenius;
reaction "CH2(S) + H2O = CH2 + H2O";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-124
{
type reversibleArrhenius;
reaction "CH2(S) + CH3 = H + C2H4";
A 1.2e+10;
beta 0;
Ta -286.819;
}
un-named-reaction-125
{
type reversibleArrhenius;
reaction "CH2(S) + CH4 = 2CH3";
A 1.6e+10;
beta 0;
Ta -286.819;
}
un-named-reaction-126
{
type reversibleArrhenius;
reaction "CH2(S) + CO = CH2 + CO";
A 9e+09;
beta 0;
Ta 0;
}
un-named-reaction-127
{
type reversibleArrhenius;
reaction "CH2(S) + CO2 = CH2 + CO2";
A 7e+09;
beta 0;
Ta 0;
}
un-named-reaction-128
{
type reversibleArrhenius;
reaction "CH2(S) + CO2 = CO + CH2O";
A 1.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-129
{
type reversibleArrhenius;
reaction "CH2(S) + C2H6 = CH3 + C2H5";
A 4e+10;
beta 0;
Ta -276.755;
}
un-named-reaction-130
{
type reversibleArrhenius;
reaction "CH3 + O2 = O + CH3O";
A 3.56e+10;
beta 0;
Ta 15337.3;
}
un-named-reaction-131
{
type reversibleArrhenius;
reaction "CH3 + O2 = OH + CH2O";
A 2.31e+09;
beta 0;
Ta 10222.3;
}
un-named-reaction-132
{
type reversibleArrhenius;
reaction "CH3 + H2O2 = HO2 + CH4";
A 24.5;
beta 2.47;
Ta 2606.53;
}
un-named-reaction-133
{
type reversibleArrhenius;
reaction "2CH3 = H + C2H5";
A 6.84e+09;
beta 0.1;
Ta 5333.83;
}
un-named-reaction-134
{
type reversibleArrhenius;
reaction "CH3 + HCO = CH4 + CO";
A 2.648e+10;
beta 0;
Ta 0;
}
un-named-reaction-135
{
type reversibleArrhenius;
reaction "CH3 + CH2O = HCO + CH4";
A 3.32;
beta 2.81;
Ta 2948.7;
}
un-named-reaction-136
{
type reversibleArrhenius;
reaction "CH3 + CH3OH = CH2OH + CH4";
A 30000;
beta 1.5;
Ta 5001.72;
}
un-named-reaction-137
{
type reversibleArrhenius;
reaction "CH3 + CH3OH = CH3O + CH4";
A 10000;
beta 1.5;
Ta 5001.72;
}
un-named-reaction-138
{
type reversibleArrhenius;
reaction "CH3 + C2H4 = C2H3 + CH4";
A 227;
beta 2;
Ta 4629.36;
}
un-named-reaction-139
{
type reversibleArrhenius;
reaction "CH3 + C2H6 = C2H5 + CH4";
A 6140;
beta 1.74;
Ta 5258.35;
}
un-named-reaction-140
{
type reversibleArrhenius;
reaction "HCO + H2O = H + CO + H2O";
A 1.5e+15;
beta -1;
Ta 8554.25;
}
un-named-reaction-141
{
type reversibleArrhenius;
reaction "HCO + O2 = HO2 + CO";
A 1.345e+10;
beta 0;
Ta 201.276;
}
un-named-reaction-142
{
type reversibleArrhenius;
reaction "CH2OH + O2 = HO2 + CH2O";
A 1.8e+10;
beta 0;
Ta 452.872;
}
un-named-reaction-143
{
type reversibleArrhenius;
reaction "CH3O + O2 = HO2 + CH2O";
A 4.28e-16;
beta 7.6;
Ta -1776.27;
}
un-named-reaction-144
{
type reversibleArrhenius;
reaction "C2H + O2 = HCO + CO";
A 1e+10;
beta 0;
Ta -379.909;
}
un-named-reaction-145
{
type reversibleArrhenius;
reaction "C2H + H2 = H + C2H2";
A 5.68e+07;
beta 0.9;
Ta 1002.86;
}
un-named-reaction-146
{
type reversibleArrhenius;
reaction "C2H3 + O2 = HCO + CH2O";
A 4.58e+13;
beta -1.39;
Ta 510.739;
}
un-named-reaction-147
{
type reversibleArrhenius;
reaction "C2H5 + O2 = HO2 + C2H4";
A 8.4e+08;
beta 0;
Ta 1949.87;
}
un-named-reaction-148
{
type reversibleArrhenius;
reaction "HCCO + O2 = OH + 2CO";
A 3.2e+09;
beta 0;
Ta 429.725;
}
un-named-reaction-149
{
type reversibleArrhenius;
reaction "2HCCO = 2CO + C2H2";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-150
{
type reversibleArrhenius;
reaction "N + NO = N2 + O";
A 2.7e+10;
beta 0;
Ta 178.633;
}
un-named-reaction-151
{
type reversibleArrhenius;
reaction "N + O2 = NO + O";
A 9e+06;
beta 1;
Ta 3270.74;
}
un-named-reaction-152
{
type reversibleArrhenius;
reaction "N + OH = NO + H";
A 3.36e+10;
beta 0;
Ta 193.729;
}
un-named-reaction-153
{
type reversibleArrhenius;
reaction "N2O + O = N2 + O2";
A 1.4e+09;
beta 0;
Ta 5439.5;
}
un-named-reaction-154
{
type reversibleArrhenius;
reaction "N2O + O = 2NO";
A 2.9e+10;
beta 0;
Ta 11648.9;
}
un-named-reaction-155
{
type reversibleArrhenius;
reaction "N2O + H = N2 + OH";
A 3.87e+11;
beta 0;
Ta 9500.25;
}
un-named-reaction-156
{
type reversibleArrhenius;
reaction "N2O + OH = N2 + HO2";
A 2e+09;
beta 0;
Ta 10597.2;
}
un-named-reaction-157
{
type reversibleArrhenius;
reaction "HO2 + NO = NO2 + OH";
A 2.11e+09;
beta 0;
Ta -241.532;
}
un-named-reaction-158
{
type reversibleArrhenius;
reaction "NO2 + O = NO + O2";
A 3.9e+09;
beta 0;
Ta -120.766;
}
un-named-reaction-159
{
type reversibleArrhenius;
reaction "NO2 + H = NO + OH";
A 1.32e+11;
beta 0;
Ta 181.149;
}
un-named-reaction-160
{
type reversibleArrhenius;
reaction "NH + O = NO + H";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-161
{
type reversibleArrhenius;
reaction "NH + H = N + H2";
A 3.2e+10;
beta 0;
Ta 166.053;
}
un-named-reaction-162
{
type reversibleArrhenius;
reaction "NH + OH = HNO + H";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-163
{
type reversibleArrhenius;
reaction "NH + OH = N + H2O";
A 2e+06;
beta 1.2;
Ta 0;
}
un-named-reaction-164
{
type reversibleArrhenius;
reaction "NH + O2 = HNO + O";
A 461;
beta 2;
Ta 3270.74;
}
un-named-reaction-165
{
type reversibleArrhenius;
reaction "NH + O2 = NO + OH";
A 1280;
beta 1.5;
Ta 50.3191;
}
un-named-reaction-166
{
type reversibleArrhenius;
reaction "NH + N = N2 + H";
A 1.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-167
{
type reversibleArrhenius;
reaction "NH + H2O = HNO + H2";
A 2e+10;
beta 0;
Ta 6969.2;
}
un-named-reaction-168
{
type reversibleArrhenius;
reaction "NH + NO = N2 + OH";
A 2.16e+10;
beta -0.23;
Ta 0;
}
un-named-reaction-169
{
type reversibleArrhenius;
reaction "NH + NO = N2O + H";
A 3.65e+11;
beta -0.45;
Ta 0;
}
un-named-reaction-170
{
type reversibleArrhenius;
reaction "NH2 + O = OH + NH";
A 3e+09;
beta 0;
Ta 0;
}
un-named-reaction-171
{
type reversibleArrhenius;
reaction "NH2 + O = H + HNO";
A 3.9e+10;
beta 0;
Ta 0;
}
un-named-reaction-172
{
type reversibleArrhenius;
reaction "NH2 + H = NH + H2";
A 4e+10;
beta 0;
Ta 1836.65;
}
un-named-reaction-173
{
type reversibleArrhenius;
reaction "NH2 + OH = NH + H2O";
A 90000;
beta 1.5;
Ta -231.468;
}
un-named-reaction-174
{
type reversibleArrhenius;
reaction "NNH = N2 + H";
A 3.3e+08;
beta 0;
Ta 0;
}
un-named-reaction-175
{
type reversibleArrhenius;
reaction "NNH + O2 = HO2 + N2";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-176
{
type reversibleArrhenius;
reaction "NNH + O = OH + N2";
A 2.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-177
{
type reversibleArrhenius;
reaction "NNH + O = NH + NO";
A 7e+10;
beta 0;
Ta 0;
}
un-named-reaction-178
{
type reversibleArrhenius;
reaction "NNH + H = H2 + N2";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-179
{
type reversibleArrhenius;
reaction "NNH + OH = H2O + N2";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-180
{
type reversibleArrhenius;
reaction "NNH + CH3 = CH4 + N2";
A 2.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-181
{
type reversibleArrhenius;
reaction "HNO + O = NO + OH";
A 2.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-182
{
type reversibleArrhenius;
reaction "HNO + H = H2 + NO";
A 9e+08;
beta 0.72;
Ta 332.106;
}
un-named-reaction-183
{
type reversibleArrhenius;
reaction "HNO + OH = NO + H2O";
A 13000;
beta 1.9;
Ta -478.032;
}
un-named-reaction-184
{
type reversibleArrhenius;
reaction "HNO + O2 = HO2 + NO";
A 1e+10;
beta 0;
Ta 6541.49;
}
un-named-reaction-185
{
type reversibleArrhenius;
reaction "CN + O = CO + N";
A 7.7e+10;
beta 0;
Ta 0;
}
un-named-reaction-186
{
type reversibleArrhenius;
reaction "CN + OH = NCO + H";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-187
{
type reversibleArrhenius;
reaction "CN + H2O = HCN + OH";
A 8e+09;
beta 0;
Ta 3753.81;
}
un-named-reaction-188
{
type reversibleArrhenius;
reaction "CN + O2 = NCO + O";
A 6.14e+09;
beta 0;
Ta -221.404;
}
un-named-reaction-189
{
type reversibleArrhenius;
reaction "CN + H2 = HCN + H";
A 295;
beta 2.45;
Ta 1127.15;
}
un-named-reaction-190
{
type reversibleArrhenius;
reaction "NCO + O = NO + CO";
A 2.35e+10;
beta 0;
Ta 0;
}
un-named-reaction-191
{
type reversibleArrhenius;
reaction "NCO + H = NH + CO";
A 5.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-192
{
type reversibleArrhenius;
reaction "NCO + OH = NO + H + CO";
A 2.5e+09;
beta 0;
Ta 0;
}
un-named-reaction-193
{
type reversibleArrhenius;
reaction "NCO + N = N2 + CO";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-194
{
type reversibleArrhenius;
reaction "NCO + O2 = NO + CO2";
A 2e+09;
beta 0;
Ta 10063.8;
}
un-named-reaction-195
{
type reversibleArrhenius;
reaction "NCO + NO = N2O + CO";
A 1.9e+14;
beta -1.52;
Ta 372.362;
}
un-named-reaction-196
{
type reversibleArrhenius;
reaction "NCO + NO = N2 + CO2";
A 3.8e+15;
beta -2;
Ta 402.553;
}
un-named-reaction-197
{
type reversibleArrhenius;
reaction "HCN + O = NCO + H";
A 20.3;
beta 2.64;
Ta 2505.89;
}
un-named-reaction-198
{
type reversibleArrhenius;
reaction "HCN + O = NH + CO";
A 5.07;
beta 2.64;
Ta 2505.89;
}
un-named-reaction-199
{
type reversibleArrhenius;
reaction "HCN + O = CN + OH";
A 3.91e+06;
beta 1.58;
Ta 13384.9;
}
un-named-reaction-200
{
type reversibleArrhenius;
reaction "HCN + OH = HOCN + H";
A 1100;
beta 2.03;
Ta 6727.67;
}
un-named-reaction-201
{
type reversibleArrhenius;
reaction "HCN + OH = HNCO + H";
A 4.4;
beta 2.26;
Ta 3220.42;
}
un-named-reaction-202
{
type reversibleArrhenius;
reaction "HCN + OH = NH2 + CO";
A 0.16;
beta 2.56;
Ta 4528.72;
}
un-named-reaction-203
{
type reversibleArrhenius;
reaction "H2CN + N = N2 + CH2";
A 6e+10;
beta 0;
Ta 201.276;
}
un-named-reaction-204
{
type reversibleArrhenius;
reaction "C + N2 = CN + N";
A 6.3e+10;
beta 0;
Ta 23156.9;
}
un-named-reaction-205
{
type reversibleArrhenius;
reaction "CH + N2 = HCN + N";
A 3.12e+06;
beta 0.88;
Ta 10129.2;
}
un-named-reaction-206
{
type reversibleArrhenius;
reaction "CH2 + N2 = HCN + NH";
A 1e+10;
beta 0;
Ta 37236.2;
}
un-named-reaction-207
{
type reversibleArrhenius;
reaction "CH2(S) + N2 = NH + HCN";
A 1e+08;
beta 0;
Ta 32707.4;
}
un-named-reaction-208
{
type reversibleArrhenius;
reaction "C + NO = CN + O";
A 1.9e+10;
beta 0;
Ta 0;
}
un-named-reaction-209
{
type reversibleArrhenius;
reaction "C + NO = CO + N";
A 2.9e+10;
beta 0;
Ta 0;
}
un-named-reaction-210
{
type reversibleArrhenius;
reaction "CH + NO = HCN + O";
A 4.1e+10;
beta 0;
Ta 0;
}
un-named-reaction-211
{
type reversibleArrhenius;
reaction "CH + NO = H + NCO";
A 1.62e+10;
beta 0;
Ta 0;
}
un-named-reaction-212
{
type reversibleArrhenius;
reaction "CH + NO = N + HCO";
A 2.46e+10;
beta 0;
Ta 0;
}
un-named-reaction-213
{
type reversibleArrhenius;
reaction "CH2 + NO = H + HNCO";
A 3.1e+14;
beta -1.38;
Ta 639.053;
}
un-named-reaction-214
{
type reversibleArrhenius;
reaction "CH2 + NO = OH + HCN";
A 2.9e+11;
beta -0.69;
Ta 382.425;
}
un-named-reaction-215
{
type reversibleArrhenius;
reaction "CH2 + NO = H + HCNO";
A 3.8e+10;
beta -0.36;
Ta 291.851;
}
un-named-reaction-216
{
type reversibleArrhenius;
reaction "CH2(S) + NO = H + HNCO";
A 3.1e+14;
beta -1.38;
Ta 639.053;
}
un-named-reaction-217
{
type reversibleArrhenius;
reaction "CH2(S) + NO = OH + HCN";
A 2.9e+11;
beta -0.69;
Ta 382.425;
}
un-named-reaction-218
{
type reversibleArrhenius;
reaction "CH2(S) + NO = H + HCNO";
A 3.8e+10;
beta -0.36;
Ta 291.851;
}
un-named-reaction-219
{
type reversibleArrhenius;
reaction "CH3 + NO = HCN + H2O";
A 9.6e+10;
beta 0;
Ta 14491.9;
}
un-named-reaction-220
{
type reversibleArrhenius;
reaction "CH3 + NO = H2CN + OH";
A 1e+09;
beta 0;
Ta 10944.4;
}
un-named-reaction-221
{
type reversibleArrhenius;
reaction "HCNN + O = CO + H + N2";
A 2.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-222
{
type reversibleArrhenius;
reaction "HCNN + O = HCN + NO";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-223
{
type reversibleArrhenius;
reaction "HCNN + O2 = O + HCO + N2";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-224
{
type reversibleArrhenius;
reaction "HCNN + OH = H + HCO + N2";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-225
{
type reversibleArrhenius;
reaction "HCNN + H = CH2 + N2";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-226
{
type reversibleArrhenius;
reaction "HNCO + O = NH + CO2";
A 98000;
beta 1.41;
Ta 4277.13;
}
un-named-reaction-227
{
type reversibleArrhenius;
reaction "HNCO + O = HNO + CO";
A 150000;
beta 1.57;
Ta 22140.4;
}
un-named-reaction-228
{
type reversibleArrhenius;
reaction "HNCO + O = NCO + OH";
A 2200;
beta 2.11;
Ta 5736.38;
}
un-named-reaction-229
{
type reversibleArrhenius;
reaction "HNCO + H = NH2 + CO";
A 22500;
beta 1.7;
Ta 1912.13;
}
un-named-reaction-230
{
type reversibleArrhenius;
reaction "HNCO + H = H2 + NCO";
A 105;
beta 2.5;
Ta 6692.44;
}
un-named-reaction-231
{
type reversibleArrhenius;
reaction "HNCO + OH = NCO + H2O";
A 33000;
beta 1.5;
Ta 1811.49;
}
un-named-reaction-232
{
type reversibleArrhenius;
reaction "HNCO + OH = NH2 + CO2";
A 3300;
beta 1.5;
Ta 1811.49;
}
un-named-reaction-233
{
type reversibleArrhenius;
reaction "HCNO + H = H + HNCO";
A 2.1e+12;
beta -0.69;
Ta 1434.1;
}
un-named-reaction-234
{
type reversibleArrhenius;
reaction "HCNO + H = OH + HCN";
A 2.7e+08;
beta 0.18;
Ta 1066.77;
}
un-named-reaction-235
{
type reversibleArrhenius;
reaction "HCNO + H = NH2 + CO";
A 1.7e+11;
beta -0.75;
Ta 1454.22;
}
un-named-reaction-236
{
type reversibleArrhenius;
reaction "HOCN + H = H + HNCO";
A 20000;
beta 2;
Ta 1006.38;
}
un-named-reaction-237
{
type reversibleArrhenius;
reaction "HCCO + NO = HCNO + CO";
A 9e+09;
beta 0;
Ta 0;
}
un-named-reaction-238
{
type reversibleArrhenius;
reaction "CH3 + N = H2CN + H";
A 6.1e+11;
beta -0.31;
Ta 145.925;
}
un-named-reaction-239
{
type reversibleArrhenius;
reaction "CH3 + N = HCN + H2";
A 3.7e+09;
beta 0.15;
Ta -45.2872;
}
un-named-reaction-240
{
type reversibleArrhenius;
reaction "NH3 + H = NH2 + H2";
A 540;
beta 2.4;
Ta 4989.14;
}
un-named-reaction-241
{
type reversibleArrhenius;
reaction "NH3 + OH = NH2 + H2O";
A 50000;
beta 1.6;
Ta 480.548;
}
un-named-reaction-242
{
type reversibleArrhenius;
reaction "NH3 + O = NH2 + OH";
A 9400;
beta 1.94;
Ta 3250.62;
}
un-named-reaction-243
{
type reversibleArrhenius;
reaction "NH + CO2 = HNO + CO";
A 1e+10;
beta 0;
Ta 7220.79;
}
un-named-reaction-244
{
type reversibleArrhenius;
reaction "CN + NO2 = NCO + NO";
A 6.16e+12;
beta -0.752;
Ta 173.601;
}
un-named-reaction-245
{
type reversibleArrhenius;
reaction "NCO + NO2 = N2O + CO2";
A 3.25e+09;
beta 0;
Ta -354.75;
}
un-named-reaction-246
{
type reversibleArrhenius;
reaction "N + CO2 = NO + CO";
A 3e+09;
beta 0;
Ta 5686.06;
}
un-named-reaction-247
{
type irreversibleArrhenius;
reaction "O + CH3 = H + H2 + CO";
A 3.37e+10;
beta 0;
Ta 0;
}
un-named-reaction-248
{
type reversibleArrhenius;
reaction "O + C2H4 = H + CH2CHO";
A 6700;
beta 1.83;
Ta 110.702;
}
un-named-reaction-249
{
type reversibleArrhenius;
reaction "O + C2H5 = H + CH3CHO";
A 1.096e+11;
beta 0;
Ta 0;
}
un-named-reaction-250
{
type reversibleArrhenius;
reaction "OH + HO2 = O2 + H2O";
A 5e+12;
beta 0;
Ta 8720.3;
}
un-named-reaction-251
{
type irreversibleArrhenius;
reaction "OH + CH3 = H2 + CH2O";
A 8e+06;
beta 0.5;
Ta -883.101;
}
un-named-reaction-252
{
type irreversibleArrhenius;
reaction "CH2 + O2 = 2H + CO2";
A 5.8e+09;
beta 0;
Ta 754.787;
}
un-named-reaction-253
{
type reversibleArrhenius;
reaction "CH2 + O2 = O + CH2O";
A 2.4e+09;
beta 0;
Ta 754.787;
}
un-named-reaction-254
{
type irreversibleArrhenius;
reaction "CH2 + CH2 = 2H + C2H2";
A 2e+11;
beta 0;
Ta 5529.57;
}
un-named-reaction-255
{
type irreversibleArrhenius;
reaction "CH2(S) + H2O = H2 + CH2O";
A 6.82e+07;
beta 0.25;
Ta -470.484;
}
un-named-reaction-256
{
type reversibleArrhenius;
reaction "C2H3 + O2 = O + CH2CHO";
A 3.03e+08;
beta 0.29;
Ta 5.5351;
}
un-named-reaction-257
{
type reversibleArrhenius;
reaction "C2H3 + O2 = HO2 + C2H2";
A 1337;
beta 1.61;
Ta -193.225;
}
un-named-reaction-258
{
type reversibleArrhenius;
reaction "O + CH3CHO = OH + CH2CHO";
A 2.92e+09;
beta 0;
Ta 909.77;
}
un-named-reaction-259
{
type irreversibleArrhenius;
reaction "O + CH3CHO = OH + CH3 + CO";
A 2.92e+09;
beta 0;
Ta 909.77;
}
un-named-reaction-260
{
type irreversibleArrhenius;
reaction "O2 + CH3CHO = HO2 + CH3 + CO";
A 3.01e+10;
beta 0;
Ta 19699.9;
}
un-named-reaction-261
{
type reversibleArrhenius;
reaction "H + CH3CHO = CH2CHO + H2";
A 2.05e+06;
beta 1.16;
Ta 1210.17;
}
un-named-reaction-262
{
type irreversibleArrhenius;
reaction "H + CH3CHO = CH3 + H2 + CO";
A 2.05e+06;
beta 1.16;
Ta 1210.17;
}
un-named-reaction-263
{
type irreversibleArrhenius;
reaction "OH + CH3CHO = CH3 + H2O + CO";
A 2.343e+07;
beta 0.73;
Ta -560.052;
}
un-named-reaction-264
{
type irreversibleArrhenius;
reaction "HO2 + CH3CHO = CH3 + H2O2 + CO";
A 3.01e+09;
beta 0;
Ta 5999.55;
}
un-named-reaction-265
{
type irreversibleArrhenius;
reaction "CH3 + CH3CHO = CH3 + CH4 + CO";
A 2720;
beta 1.77;
Ta 2978.89;
}
un-named-reaction-266
{
type irreversibleArrhenius;
reaction "O + CH2CHO = H + CH2 + CO2";
A 1.5e+11;
beta 0;
Ta 0;
}
un-named-reaction-267
{
type irreversibleArrhenius;
reaction "O2 + CH2CHO = OH + CO + CH2O";
A 1.81e+07;
beta 0;
Ta 0;
}
un-named-reaction-268
{
type irreversibleArrhenius;
reaction "O2 + CH2CHO = OH + 2HCO";
A 2.35e+07;
beta 0;
Ta 0;
}
un-named-reaction-269
{
type reversibleArrhenius;
reaction "H + CH2CHO = CH3 + HCO";
A 2.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-270
{
type reversibleArrhenius;
reaction "H + CH2CHO = CH2CO + H2";
A 1.1e+10;
beta 0;
Ta 0;
}
un-named-reaction-271
{
type reversibleArrhenius;
reaction "OH + CH2CHO = H2O + CH2CO";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-272
{
type reversibleArrhenius;
reaction "OH + CH2CHO = HCO + CH2OH";
A 3.01e+10;
beta 0;
Ta 0;
}
un-named-reaction-273
{
type reversibleArrhenius;
reaction "O + C3H8 = OH + C3H7";
A 193;
beta 2.68;
Ta 1869.86;
}
un-named-reaction-274
{
type reversibleArrhenius;
reaction "H + C3H8 = C3H7 + H2";
A 1320;
beta 2.54;
Ta 3399.56;
}
un-named-reaction-275
{
type reversibleArrhenius;
reaction "OH + C3H8 = C3H7 + H2O";
A 31600;
beta 1.8;
Ta 469.981;
}
un-named-reaction-276
{
type reversibleArrhenius;
reaction "C3H7 + H2O2 = HO2 + C3H8";
A 0.378;
beta 2.72;
Ta 754.787;
}
un-named-reaction-277
{
type reversibleArrhenius;
reaction "CH3 + C3H8 = C3H7 + CH4";
A 0.000903;
beta 3.65;
Ta 3599.83;
}
un-named-reaction-278
{
type reversibleArrhenius;
reaction "O + C3H7 = C2H5 + CH2O";
A 9.64e+10;
beta 0;
Ta 0;
}
un-named-reaction-279
{
type reversibleArrhenius;
reaction "H + C3H7 = CH3 + C2H5";
A 4060;
beta 2.19;
Ta 447.84;
}
un-named-reaction-280
{
type reversibleArrhenius;
reaction "OH + C3H7 = C2H5 + CH2OH";
A 2.41e+10;
beta 0;
Ta 0;
}
un-named-reaction-281
{
type reversibleArrhenius;
reaction "HO2 + C3H7 = O2 + C3H8";
A 2.55e+07;
beta 0.255;
Ta -474.509;
}
un-named-reaction-282
{
type irreversibleArrhenius;
reaction "HO2 + C3H7 = OH + C2H5 + CH2O";
A 2.41e+10;
beta 0;
Ta 0;
}
un-named-reaction-283
{
type reversibleArrhenius;
reaction "CH3 + C3H7 = 2C2H5";
A 1.927e+10;
beta -0.32;
Ta 0;
}
un-named-reaction-284
{
type reversibleThirdBodyArrhenius;
reaction "2O = O2";
A 1.2e+11;
beta -1;
Ta 0;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2.4)
(O 1)
(OH 1)
(H2O 15.4)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.75)
(CO2 3.6)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.83)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-285
{
type reversibleThirdBodyArrhenius;
reaction "O + H = OH";
A 5e+11;
beta -1;
Ta 0;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-286
{
type reversibleThirdBodyArrhenius;
reaction "H + O2 = HO2";
A 2.8e+12;
beta -0.86;
Ta 0;
coeffs
53
(
(CH4 1)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 0)
(H2 1)
(O 1)
(OH 1)
(H2O 0)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 0.75)
(CO2 1.5)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1.5)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 0)
(AR 0)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-287
{
type reversibleThirdBodyArrhenius;
reaction "2H = H2";
A 1e+12;
beta -1;
Ta 0;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 0)
(O 1)
(OH 1)
(H2O 0)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1)
(CO2 0)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.63)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-288
{
type reversibleThirdBodyArrhenius;
reaction "H + OH = H2O";
A 2.2e+16;
beta -2;
Ta 0;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 0.73)
(O 1)
(OH 1)
(H2O 3.65)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1)
(CO2 1)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.38)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-289
{
type reversibleThirdBodyArrhenius;
reaction "HCO = H + CO";
A 1.87e+14;
beta -1;
Ta 8554.25;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 0)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 1)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-290
{
type reversibleThirdBodyArrhenius;
reaction "NO + O = NO2";
A 1.06e+14;
beta -1.41;
Ta 0;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-291
{
type reversibleThirdBodyArrhenius;
reaction "NNH = N2 + H";
A 1.3e+11;
beta -0.11;
Ta 2505.89;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-292
{
type reversibleThirdBodyArrhenius;
reaction "H + NO = HNO";
A 4.48e+13;
beta -1.32;
Ta 372.362;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-293
{
type reversibleThirdBodyArrhenius;
reaction "NCO = N + CO";
A 3.1e+11;
beta 0;
Ta 27197.5;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-294
{
type reversibleThirdBodyArrhenius;
reaction "HCN = H + CN";
A 1.04e+26;
beta -3.3;
Ta 63704;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-295
{
type reversibleThirdBodyArrhenius;
reaction "HNCO = NH + CO";
A 1.18e+13;
beta 0;
Ta 42630.4;
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
un-named-reaction-296
{
type reversibleArrheniusLindemannFallOff;
reaction "O + CO = CO2";
k0
{
A 6.02e+08;
beta 0;
Ta 1509.57;
}
kInf
{
A 1.8e+07;
beta 0;
Ta 1200.11;
}
F
{
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 6)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 3.5)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.5)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-297
{
type reversibleArrheniusTroeFallOff;
reaction "H + CH2 = CH3";
k0
{
A 1.04e+20;
beta -2.76;
Ta 805.106;
}
kInf
{
A 6e+11;
beta 0;
Ta 0;
}
F
{
alpha 0.562;
Tsss 91;
Ts 5836;
Tss 8552;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-298
{
type reversibleArrheniusTroeFallOff;
reaction "H + CH3 = CH4";
k0
{
A 2.62e+27;
beta -4.76;
Ta 1227.79;
}
kInf
{
A 1.39e+13;
beta -0.534;
Ta 269.711;
}
F
{
alpha 0.783;
Tsss 74;
Ts 2941;
Tss 6964;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 3)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-299
{
type reversibleArrheniusTroeFallOff;
reaction "H + HCO = CH2O";
k0
{
A 2.47e+18;
beta -2.57;
Ta 213.856;
}
kInf
{
A 1.09e+09;
beta 0.48;
Ta -130.83;
}
F
{
alpha 0.7824;
Tsss 271;
Ts 2755;
Tss 6570;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-300
{
type reversibleArrheniusTroeFallOff;
reaction "H + CH2O = CH2OH";
k0
{
A 1.27e+26;
beta -4.82;
Ta 3285.84;
}
kInf
{
A 5.4e+08;
beta 0.454;
Ta 1811.49;
}
F
{
alpha 0.7187;
Tsss 103;
Ts 1291;
Tss 4160;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 1)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-301
{
type reversibleArrheniusTroeFallOff;
reaction "H + CH2OH = CH3OH";
k0
{
A 4.36e+25;
beta -4.65;
Ta 2556.21;
}
kInf
{
A 1.055e+09;
beta 0.5;
Ta 43.2744;
}
F
{
alpha 0.6;
Tsss 100;
Ts 90000;
Tss 10000;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 1)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-302
{
type reversibleArrheniusTroeFallOff;
reaction "H + CH3O = CH3OH";
k0
{
A 4.66e+35;
beta -7.44;
Ta 7084.93;
}
kInf
{
A 2.43e+09;
beta 0.515;
Ta 25.1596;
}
F
{
alpha 0.7;
Tsss 100;
Ts 90000;
Tss 10000;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 1)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-303
{
type reversibleArrheniusTroeFallOff;
reaction "H + C2H = C2H2";
k0
{
A 3.75e+27;
beta -4.8;
Ta 956.063;
}
kInf
{
A 1e+14;
beta -1;
Ta 0;
}
F
{
alpha 0.6464;
Tsss 132;
Ts 1315;
Tss 5566;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-304
{
type reversibleArrheniusTroeFallOff;
reaction "H + C2H2 = C2H3";
k0
{
A 3.8e+34;
beta -7.27;
Ta 3633.04;
}
kInf
{
A 5.6e+09;
beta 0;
Ta 1207.66;
}
F
{
alpha 0.7507;
Tsss 98.5;
Ts 1302;
Tss 4167;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-305
{
type reversibleArrheniusTroeFallOff;
reaction "H + C2H3 = C2H4";
k0
{
A 1.4e+24;
beta -3.86;
Ta 1670.59;
}
kInf
{
A 6.08e+09;
beta 0.27;
Ta 140.894;
}
F
{
alpha 0.782;
Tsss 207.5;
Ts 2663;
Tss 6095;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-306
{
type reversibleArrheniusTroeFallOff;
reaction "H + C2H4 = C2H5";
k0
{
A 6e+35;
beta -7.62;
Ta 3507.24;
}
kInf
{
A 5.4e+08;
beta 0.454;
Ta 915.808;
}
F
{
alpha 0.9753;
Tsss 210;
Ts 984;
Tss 4374;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-307
{
type reversibleArrheniusTroeFallOff;
reaction "H + C2H5 = C2H6";
k0
{
A 1.99e+35;
beta -7.08;
Ta 3363.83;
}
kInf
{
A 5.21e+14;
beta -0.99;
Ta 795.042;
}
F
{
alpha 0.8422;
Tsss 125;
Ts 2219;
Tss 6882;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-308
{
type reversibleArrheniusTroeFallOff;
reaction "H2 + CO = CH2O";
k0
{
A 5.07e+21;
beta -3.42;
Ta 42444.2;
}
kInf
{
A 43000;
beta 1.5;
Ta 40054;
}
F
{
alpha 0.932;
Tsss 197;
Ts 1540;
Tss 10300;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-309
{
type reversibleArrheniusTroeFallOff;
reaction "2OH = H2O2";
k0
{
A 2.3e+12;
beta -0.9;
Ta -855.425;
}
kInf
{
A 7.4e+10;
beta -0.37;
Ta 0;
}
F
{
alpha 0.7346;
Tsss 94;
Ts 1756;
Tss 5182;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-310
{
type reversibleArrheniusTroeFallOff;
reaction "OH + CH3 = CH3OH";
k0
{
A 4e+30;
beta -5.92;
Ta 1580.02;
}
kInf
{
A 2.79e+15;
beta -1.43;
Ta 669.244;
}
F
{
alpha 0.412;
Tsss 195;
Ts 5900;
Tss 6394;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 1)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-311
{
type reversibleArrheniusTroeFallOff;
reaction "CH + CO = HCCO";
k0
{
A 2.69e+22;
beta -3.74;
Ta 974.178;
}
kInf
{
A 5e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.5757;
Tsss 237;
Ts 1652;
Tss 5069;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-312
{
type reversibleArrheniusTroeFallOff;
reaction "CH2 + CO = CH2CO";
k0
{
A 2.69e+27;
beta -5.11;
Ta 3570.14;
}
kInf
{
A 8.1e+08;
beta 0.5;
Ta 2269.39;
}
F
{
alpha 0.5907;
Tsss 275;
Ts 1226;
Tss 5185;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-313
{
type reversibleArrheniusTroeFallOff;
reaction "CH2(S) + H2O = CH3OH";
k0
{
A 1.88e+32;
beta -6.36;
Ta 2536.08;
}
kInf
{
A 4.82e+14;
beta -1.16;
Ta 576.154;
}
F
{
alpha 0.6027;
Tsss 208;
Ts 3922;
Tss 10180;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 1)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-314
{
type reversibleArrheniusTroeFallOff;
reaction "2CH3 = C2H6";
k0
{
A 3.4e+35;
beta -7.03;
Ta 1389.81;
}
kInf
{
A 6.77e+13;
beta -1.18;
Ta 329.087;
}
F
{
alpha 0.619;
Tsss 73.2;
Ts 1180;
Tss 9999;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-315
{
type reversibleArrheniusTroeFallOff;
reaction "C2H4 = H2 + C2H2";
k0
{
A 1.58e+48;
beta -9.3;
Ta 49212.1;
}
kInf
{
A 8e+12;
beta 0.44;
Ta 43661.9;
}
F
{
alpha 0.7345;
Tsss 180;
Ts 1035;
Tss 5417;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-316
{
type reversibleArrheniusLindemannFallOff;
reaction "N2O = N2 + O";
k0
{
A 6.37e+11;
beta 0;
Ta 28500.8;
}
kInf
{
A 7.91e+10;
beta 0;
Ta 28188.8;
}
F
{
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.625)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-317
{
type reversibleArrheniusLindemannFallOff;
reaction "H + HCN = H2CN";
k0
{
A 1.4e+20;
beta -3.4;
Ta 956.063;
}
kInf
{
A 3.3e+10;
beta 0;
Ta 0;
}
F
{
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-318
{
type reversibleArrheniusTroeFallOff;
reaction "CH + N2 = HCNN";
k0
{
A 1.3e+19;
beta -3.16;
Ta 372.362;
}
kInf
{
A 3.1e+09;
beta 0.15;
Ta 0;
}
F
{
alpha 0.667;
Tsss 235;
Ts 2117;
Tss 4536;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 1)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-319
{
type reversibleArrheniusTroeFallOff;
reaction "CH + H2 = CH3";
k0
{
A 4.82e+19;
beta -2.8;
Ta 296.883;
}
kInf
{
A 1.97e+09;
beta 0.43;
Ta -186.181;
}
F
{
alpha 0.578;
Tsss 122;
Ts 2535;
Tss 9365;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-320
{
type reversibleArrheniusTroeFallOff;
reaction "H + CH2CO = CH2CHO";
k0
{
A 1.012e+36;
beta -7.63;
Ta 1939.3;
}
kInf
{
A 4.865e+08;
beta 0.422;
Ta -883.101;
}
F
{
alpha 0.465;
Tsss 201;
Ts 1773;
Tss 5333;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-321
{
type reversibleArrheniusTroeFallOff;
reaction "CH3 + C2H5 = C3H8";
k0
{
A 2.71e+68;
beta -16.82;
Ta 6574.19;
}
kInf
{
A 9.43e+09;
beta 0;
Ta 0;
}
F
{
alpha 0.1527;
Tsss 291;
Ts 2742;
Tss 7748;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-322
{
type reversibleArrheniusTroeFallOff;
reaction "CH3 + C2H4 = C3H7";
k0
{
A 3e+57;
beta -14.6;
Ta 9142.98;
}
kInf
{
A 2550;
beta 1.6;
Ta 2868.19;
}
F
{
alpha 0.1894;
Tsss 277;
Ts 8748;
Tss 7891;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-323
{
type reversibleArrheniusTroeFallOff;
reaction "H + C3H7 = C3H8";
k0
{
A 4.42e+55;
beta -13.545;
Ta 5714.74;
}
kInf
{
A 3.613e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.315;
Tsss 369;
Ts 3285;
Tss 6667;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 0.7)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
un-named-reaction-324
{
type reversibleArrheniusTroeFallOff;
reaction "H + CH2O = CH3O";
k0
{
A 2.2e+24;
beta -4.8;
Ta 2797.74;
}
kInf
{
A 5.4e+08;
beta 0.454;
Ta 1308.3;
}
F
{
alpha 0.758;
Tsss 94;
Ts 1555;
Tss 4200;
}
thirdBodyEfficiencies
{
coeffs
53
(
(CH4 2)
(CH2O 1)
(CH3O 1)
(H 1)
(O2 1)
(H2 2)
(O 1)
(OH 1)
(H2O 6)
(HO2 1)
(H2O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2(S) 1)
(CH3 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH2OH 1)
(CH3OH 1)
(C2H 1)
(C2H2 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(CH2CO 1)
(HCCOH 1)
(N 1)
(NH 1)
(NH2 1)
(NH3 1)
(NNH 1)
(NO 1)
(NO2 1)
(N2O 1)
(HNO 1)
(CN 1)
(HCN 1)
(H2CN 1)
(HCNN 1)
(HCNO 1)
(HOCN 1)
(HNCO 1)
(NCO 1)
(N2 1)
(AR 1)
(C3H7 1)
(C3H8 1)
(CH2CHO 1)
(CH3CHO 1)
)
;
}
}
}
Thigh 5000;
Tlow 200;
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