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FFCM1Mix.hpp
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7499 lines (7190 loc) · 259 KB
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// Copyright (c) "2020, by Centre Européen de Recherche et de Formation Avancée en Calcul Scientifiq
// Developer: Mario Di Renzo
// Affiliation: Centre Européen de Recherche et de Formation Avancée en Calcul Scientifique
// URL: https://cerfacs.fr
// Citation: Di Renzo, M., Lin, F., and Urzay, J. (2020).
// HTR solver: An open-source exascale-oriented task-based
// multi-GPU high-order code for hypersonic aerothermodynamics.
// Computer Physics Communications 255, 107262"
// All rights reserved.
//
// Redistribution and use in source and binary forms, with or without
// modification, are permitted provided that the following conditions are met:
// * Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above copyright
// notice, this list of conditions and the following disclaimer in the
// documentation and/or other materials provided with the distribution.
//
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
// ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
// WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
// DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER BE LIABLE FOR ANY
// DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
// (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
// LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
// ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
#ifndef __FFCM1MIX_HPP__
#define __FFCM1MIX_HPP__
// Number of species
#define nSpec 33
// Number of charged species
#define nIons 0
// Number of standard reactions
#define nReac 224
// Number of thirdbody reactions
#define nTBReac 5
// Number of falloff reactions
#define nFOReac 30
// Maximum number of reactants in a reaction
#define MAX_NUM_REACTANTS 2
// Maximum number of products in a reaction
#define MAX_NUM_PRODUCTS 3
// Maximum number of colliders in a reaction
#define MAX_NUM_TB 10
// Number of Nasa polynomials
#define N_NASA_POLY 2
// Switch to mass action kinetics
#undef FWD_ORDERS
#include "MultiComponent.hpp"
#ifdef __cplusplus
// We cannot expose these methods to Regent
//---------------------------------
// Define Species
//---------------------------------
// H2
#define iH2 0
#define H2 { \
/* Name = */ ("H2"), \
/* W = */ 0.00100784*2, \
/* inx = */ iH2, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 2.932865750E+00, 8.266080260E-04, -1.464023640E-07, 1.541004140E-11, -6.888048000E-16, -8.130655810E+02, -1.024328650E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 2.92*ATom, \
/* kbOveps = */ 1.0/38.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.79*ATom*ATom*ATom, \
/* Z298 = */ 280.0 \
} \
}
// H
#define iH 1
#define H { \
/* Name = */ ("H"), \
/* W = */ 0.00100784*1, \
/* inx = */ iH, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.547366000E+04, -4.466828500E-01 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.547366000E+04, -4.466828500E-01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Atom, \
/* sigma = */ 2.05*ATom, \
/* kbOveps = */ 1.0/145.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 0.0 \
} \
}
// O
#define iO 2
#define O { \
/* Name = */ ("O"), \
/* W = */ 0.0159994*1, \
/* inx = */ iO, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 2.543636970E+00, -2.731624860E-05, -4.190295200E-09, 4.954818450E-12, -4.795536940E-16, 2.922601200E+04, 4.922294570E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Atom, \
/* sigma = */ 2.75*ATom, \
/* kbOveps = */ 1.0/80.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 0.0 \
} \
}
// O2
#define iO2 3
#define O2 { \
/* Name = */ ("O2"), \
/* W = */ 0.0159994*2, \
/* inx = */ iO2, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 3.660960650E+00, 6.563658110E-04, -1.411496270E-07, 2.057979350E-11, -1.299134360E-15, -1.215977180E+03, 3.415362790E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 3.458*ATom, \
/* kbOveps = */ 1.0/107.4, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 1.6*ATom*ATom*ATom, \
/* Z298 = */ 3.8 \
} \
}
// OH
#define iOH 4
#define OH { \
/* Name = */ ("OH"), \
/* W = */ 0.00100784*1+0.0159994*1, \
/* inx = */ iOH, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 2.838530330E+00, 1.107412890E-03, -2.940002090E-07, 4.206987290E-11, -2.422898900E-15, 3.697808080E+03, 5.844946520E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.991984240E+00, -2.401066550E-03, 4.616640330E-06, -3.879163060E-09, 1.363195020E-12, 3.368898360E+03, -1.039984770E-01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 2.75*ATom, \
/* kbOveps = */ 1.0/80.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 0.0 \
} \
}
// H2O
#define iH2O 5
#define H2O { \
/* Name = */ ("H2O"), \
/* W = */ 0.00100784*2+0.0159994*1, \
/* inx = */ iH2O, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 2.677038900E+00, 2.973181600E-03, -7.737688900E-07, 9.443351400E-11, -4.268999100E-15, -2.988589400E+04, 6.882550000E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.198635200E+00, -2.036401700E-03, 6.520341600E-06, -5.487926900E-09, 1.771968000E-12, -3.029372600E+04, -8.490090100E-01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 2.605*ATom, \
/* kbOveps = */ 1.0/572.4, \
/* mu = */ 1.844*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 4.0 \
} \
}
// HO2
#define iHO2 6
#define HO2 { \
/* Name = */ ("HO2"), \
/* W = */ 0.00100784*1+0.0159994*2, \
/* inx = */ iHO2, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 5000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 5000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 4.172287410E+00, 1.881176270E-03, -3.462772860E-07, 1.946575490E-11, 1.762569050E-16, 3.102068390E+01, 2.957676720E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.301798070E+00, -4.749120970E-03, 2.115829050E-05, -2.427639140E-08, 9.292252250E-12, 2.640184850E+02, 3.716662200E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.458*ATom, \
/* kbOveps = */ 1.0/107.4, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 1.0 \
} \
}
// H2O2
#define iH2O2 7
#define H2O2 { \
/* Name = */ ("H2O2"), \
/* W = */ 0.00100784*2+0.0159994*2, \
/* inx = */ iH2O2, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 4.579773050E+00, 4.053260030E-03, -1.298447300E-06, 1.982114000E-10, -1.139687920E-14, -1.800717750E+04, 6.649706940E-01 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.315151490E+00, -8.473906220E-04, 1.764043230E-05, -2.267629440E-08, 9.089501580E-12, -1.770674370E+04, 3.273733190E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.458*ATom, \
/* kbOveps = */ 1.0/107.4, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 3.8 \
} \
}
// CO
#define iCO 8
#define CO { \
/* Name = */ ("CO"), \
/* W = */ 0.0120107*1+0.0159994*1, \
/* inx = */ iCO, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 3.048485900E+00, 1.351728100E-03, -4.857940500E-07, 7.885364400E-11, -4.698074600E-15, -1.426611700E+04, 6.017097700E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.579533500E+00, -6.103536900E-04, 1.016814300E-06, 9.070058600E-10, -9.044244900E-13, -1.434408600E+04, 3.508409300E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 3.65*ATom, \
/* kbOveps = */ 1.0/98.1, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 1.95*ATom*ATom*ATom, \
/* Z298 = */ 1.8 \
} \
}
// CO2
#define iCO2 9
#define CO2 { \
/* Name = */ ("CO2"), \
/* W = */ 0.0120107*1+0.0159994*2, \
/* inx = */ iCO2, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 4.636511100E+00, 2.741456900E-03, -9.958975900E-07, 1.603866600E-10, -9.161985700E-15, -4.902490400E+04, -1.934895500E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 2.356813000E+00, 8.984129900E-03, -7.122063200E-06, 2.457300800E-09, -1.428854800E-13, -4.837197100E+04, 9.900903500E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 3.763*ATom, \
/* kbOveps = */ 1.0/244.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 2.65*ATom*ATom*ATom, \
/* Z298 = */ 2.1 \
} \
}
// C
#define iC 10
#define C { \
/* Name = */ ("C"), \
/* W = */ 0.0120107*1, \
/* inx = */ iC, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 2.605583000E+00, -1.959343400E-04, 1.067372200E-07, -1.642394000E-11, 8.187058000E-16, 8.541174200E+04, 4.192386800E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 2.554239500E+00, -3.215377200E-04, 7.337922300E-07, -7.322348700E-10, 2.665214400E-13, 8.544268100E+04, 4.531308500E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Atom, \
/* sigma = */ 3.298*ATom, \
/* kbOveps = */ 1.0/71.4, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 0.0 \
} \
}
// CH
#define iCH 11
#define CH { \
/* Name = */ ("CH"), \
/* W = */ 0.0120107*1+0.00100784*1, \
/* inx = */ iCH, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 2.520936900E+00, 1.765363900E-03, -4.614766000E-07, 5.928967500E-11, -3.347450100E-15, 7.094676900E+04, 7.405182900E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.489758300E+00, 3.243216000E-04, -1.689975100E-06, 3.162842000E-09, -1.406180300E-12, 7.061264600E+04, 2.084284100E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 2.75*ATom, \
/* kbOveps = */ 1.0/80.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 0.0 \
} \
}
// CH2
#define iCH2 12
#define CH2 { \
/* Name = */ ("CH2"), \
/* W = */ 0.0120107*1+0.00100784*2, \
/* inx = */ iCH2, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 3.146318860E+00, 3.036712590E-03, -9.964744390E-07, 1.504835800E-10, -8.573355150E-15, 4.604126050E+04, 4.723417110E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.717578460E+00, 1.273912600E-03, 2.173472510E-06, -3.488585000E-09, 1.652088660E-12, 4.587238660E+04, 1.752979450E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 3.8*ATom, \
/* kbOveps = */ 1.0/144.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 0.0 \
} \
}
// CH2(S)
#define iCH2_S 13
#define CH2_S { \
/* Name = */ ("CH2(S)"), \
/* W = */ 0.0120107*1+0.00100784*2, \
/* inx = */ iCH2_S, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 3.135016860E+00, 2.895939260E-03, -8.166680900E-07, 1.135726970E-10, -6.362628350E-15, 5.050405040E+04, 4.060306210E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.193313250E+00, -2.331051840E-03, 8.156764510E-06, -6.629859810E-09, 1.932331990E-12, 5.036622460E+04, -7.467343100E-01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 3.8*ATom, \
/* kbOveps = */ 1.0/144.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 0.0 \
} \
}
// CH3
#define iCH3 14
#define CH3 { \
/* Name = */ ("CH3"), \
/* W = */ 0.0120107*1+0.00100784*3, \
/* inx = */ iCH3, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 2.978120600E+00, 5.797852000E-03, -1.975580000E-06, 3.072979000E-10, -1.791741600E-14, 1.650951300E+04, 4.722479900E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.657179700E+00, 2.126597900E-03, 5.458388300E-06, -6.618100300E-09, 2.465707400E-12, 1.642271600E+04, 1.673535400E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 3.8*ATom, \
/* kbOveps = */ 1.0/144.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 0.0 \
} \
}
// CH4
#define iCH4 15
#define CH4 { \
/* Name = */ ("CH4"), \
/* W = */ 0.0120107*1+0.00100784*4, \
/* inx = */ iCH4, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 1.653262260E+00, 1.002630990E-02, -3.316612380E-06, 5.364831380E-10, -3.146967580E-14, -1.000959360E+04, 9.905062830E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 5.149114680E+00, -1.366220090E-02, 4.914539210E-05, -4.842467670E-08, 1.666034410E-11, -1.024659830E+04, -4.638488420E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.746*ATom, \
/* kbOveps = */ 1.0/141.4, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 2.6*ATom*ATom*ATom, \
/* Z298 = */ 13.0 \
} \
}
// HCO
#define iHCO 16
#define HCO { \
/* Name = */ ("HCO"), \
/* W = */ 0.0120107*1+0.00100784*1+0.0159994*1, \
/* inx = */ iHCO, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 3.920015420E+00, 2.522793240E-03, -6.710041640E-07, 1.056159480E-10, -7.437982610E-15, 3.653429280E+03, 3.580770560E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.237546100E+00, -3.320752570E-03, 1.400302640E-05, -1.342399950E-08, 4.374162080E-12, 3.872411850E+03, 3.308348690E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.59*ATom, \
/* kbOveps = */ 1.0/498.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 0.0 \
} \
}
// CH2O
#define iCH2O 17
#define CH2O { \
/* Name = */ ("CH2O"), \
/* W = */ 0.0120107*1+0.00100784*2+0.0159994*1, \
/* inx = */ iCH2O, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 3.169526650E+00, 6.193205600E-03, -2.250563660E-06, 3.659756600E-10, -2.201494580E-14, -1.454868310E+04, 6.042078980E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.793723120E+00, -9.908333220E-03, 3.732199900E-05, -3.792852370E-08, 1.317726410E-11, -1.437919530E+04, 6.027980580E-01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.59*ATom, \
/* kbOveps = */ 1.0/498.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.0 \
} \
}
// CH2OH
#define iCH2OH 18
#define CH2OH { \
/* Name = */ ("CH2OH"), \
/* W = */ 0.0120107*1+0.00100784*3+0.0159994*1, \
/* inx = */ iCH2OH, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 5.093143700E+00, 5.947612600E-03, -2.064974600E-06, 3.230081730E-10, -1.881259020E-14, -4.034096400E+03, -1.846914930E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.478343670E+00, -1.350703100E-03, 2.784849800E-05, -3.648690600E-08, 1.479074500E-11, -3.500728900E+03, 3.309135000E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.69*ATom, \
/* kbOveps = */ 1.0/417.0, \
/* mu = */ 1.7*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.0 \
} \
}
// CH3O
#define iCH3O 19
#define CH3O { \
/* Name = */ ("CH3O"), \
/* W = */ 0.0120107*1+0.00100784*3+0.0159994*1, \
/* inx = */ iCH3O, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 4.757792380E+00, 7.441424740E-03, -2.697051760E-06, 4.380905040E-10, -2.635370980E-14, 3.781119400E+02, -1.966800280E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.711805020E+00, -2.804633060E-03, 3.765509710E-05, -4.730720890E-08, 1.865884200E-11, 1.295697600E+03, 6.572408640E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.69*ATom, \
/* kbOveps = */ 1.0/417.0, \
/* mu = */ 1.7*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.0 \
} \
}
// CH3OH
#define iCH3OH 20
#define CH3OH { \
/* Name = */ ("CH3OH"), \
/* W = */ 0.0120107*1+0.00100784*4+0.0159994*1, \
/* inx = */ iCH3OH, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 3.527267950E+00, 1.031787830E-02, -3.628929440E-06, 5.774480160E-10, -3.421826320E-14, -2.600288340E+04, 5.167586930E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 5.658510510E+00, -1.629834190E-02, 6.919381560E-05, -7.583729260E-08, 2.804275500E-11, -2.561197360E+04, -8.973305080E-01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.626*ATom, \
/* kbOveps = */ 1.0/481.8, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 1.0 \
} \
}
// C2H
#define iC2H 21
#define C2H { \
/* Name = */ ("C2H"), \
/* W = */ 0.0120107*2+0.00100784*1, \
/* inx = */ iC2H, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 3.662702480E+00, 3.824922520E-03, -1.366325000E-06, 2.134550400E-10, -1.232168480E-14, 6.716837900E+04, 3.922057920E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 2.898676760E+00, 1.329884890E-02, -2.807333270E-05, 2.894847550E-08, -1.075023510E-11, 6.706160500E+04, 6.185476320E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 4.1*ATom, \
/* kbOveps = */ 1.0/209.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.5 \
} \
}
// C2H2
#define iC2H2 22
#define C2H2 { \
/* Name = */ ("C2H2"), \
/* W = */ 0.0120107*2+0.00100784*2, \
/* inx = */ iC2H2, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 4.658784890E+00, 4.883966670E-03, -1.608288880E-06, 2.469745440E-10, -1.386059590E-14, 2.575940420E+04, -3.998381940E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 8.086796820E-01, 2.336157620E-02, -3.551722340E-05, 2.801529580E-08, -8.500751650E-12, 2.642898080E+04, 1.393967610E+01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_Linear, \
/* sigma = */ 4.1*ATom, \
/* kbOveps = */ 1.0/209.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.5 \
} \
}
// C2H3
#define iC2H3 23
#define C2H3 { \
/* Name = */ ("C2H3"), \
/* W = */ 0.0120107*2+0.00100784*3, \
/* inx = */ iC2H3, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 4.150267630E+00, 7.540213410E-03, -2.629978470E-06, 4.159740480E-10, -2.454075090E-14, 3.385663800E+04, 1.728122350E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.363776420E+00, 2.657657220E-04, 2.796207040E-05, -3.729869420E-08, 1.515901760E-11, 3.447495890E+04, 7.915100920E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 4.1*ATom, \
/* kbOveps = */ 1.0/209.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 1.0 \
} \
}
// C2H4
#define iC2H4 24
#define C2H4 { \
/* Name = */ ("C2H4"), \
/* W = */ 0.0120107*2+0.00100784*4, \
/* inx = */ iC2H4, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 3.991827240E+00, 1.048339080E-02, -3.717213420E-06, 5.946283660E-10, -3.536303860E-14, 4.268658510E+03, -2.690817620E-01 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.959200630E+00, -7.570513730E-03, 5.709899930E-05, -6.915883520E-08, 2.698841900E-11, 5.089775980E+03, 4.097302130E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.971*ATom, \
/* kbOveps = */ 1.0/280.8, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 1.5 \
} \
}
// C2H5
#define iC2H5 25
#define C2H5 { \
/* Name = */ ("C2H5"), \
/* W = */ 0.0120107*2+0.00100784*5, \
/* inx = */ iC2H5, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 4.321956330E+00, 1.239305420E-02, -4.396809600E-06, 7.035199170E-10, -4.184352390E-14, 1.217594750E+04, 1.711038090E-01 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.241859050E+00, -3.569052350E-03, 4.826672020E-05, -5.854010090E-08, 2.258045140E-11, 1.296903440E+04, 4.447037820E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 4.302*ATom, \
/* kbOveps = */ 1.0/252.3, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 1.5 \
} \
}
// C2H6
#define iC2H6 26
#define C2H6 { \
/* Name = */ ("C2H6"), \
/* W = */ 0.0120107*2+0.00100784*6, \
/* inx = */ iC2H6, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 4.046664110E+00, 1.535388020E-02, -5.470394850E-06, 8.778265440E-10, -5.231675310E-14, -1.244734990E+04, -9.686983130E-01 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.291425720E+00, -5.501549010E-03, 5.994384580E-05, -7.084664690E-08, 2.686858360E-11, -1.152220560E+04, 2.666789940E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 4.302*ATom, \
/* kbOveps = */ 1.0/252.3, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 1.5 \
} \
}
// HCCO
#define iHCCO 27
#define HCCO { \
/* Name = */ ("HCCO"), \
/* W = */ 0.0120107*2+0.00100784*1+0.0159994*1, \
/* inx = */ iHCCO, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 5.914793330E+00, 3.714087300E-03, -1.301370100E-06, 2.064733450E-10, -1.214767590E-14, 1.935963010E+04, -5.505672690E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 1.876079690E+00, 2.212054180E-02, -3.588693250E-05, 3.054025410E-08, -1.012810690E-11, 2.016338400E+04, 1.369682900E+01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 2.5*ATom, \
/* kbOveps = */ 1.0/150.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 1.0 \
} \
}
// CH2CO
#define iCH2CO 28
#define CH2CO { \
/* Name = */ ("CH2CO"), \
/* W = */ 0.0120107*2+0.00100784*2+0.0159994*1, \
/* inx = */ iCH2CO, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 5.758714490E+00, 6.351240530E-03, -2.259553610E-06, 3.623215120E-10, -2.158555150E-14, -8.085334640E+03, -4.964904440E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 2.132411360E+00, 1.813194550E-02, -1.740933150E-05, 9.353360400E-09, -2.017248440E-12, -7.148085200E+03, 1.338079690E+01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.97*ATom, \
/* kbOveps = */ 1.0/436.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.0 \
} \
}
// CH2CHO
#define iCH2CHO 29
#define CH2CHO { \
/* Name = */ ("CH2CHO"), \
/* W = */ 0.0120107*2+0.00100784*3+0.0159994*1, \
/* inx = */ iCH2CHO, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 5.916365350E+00, 8.846504260E-03, -3.149548950E-06, 5.054131890E-10, -3.013046210E-14, -1.047798920E+03, -6.106499810E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 2.668739560E+00, 9.623295380E-03, 1.606174380E-05, -2.876818200E-08, 1.250300660E-11, 2.194384290E+02, 1.256944760E+01 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.97*ATom, \
/* kbOveps = */ 1.0/436.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.0 \
} \
}
// CH3CHO
#define iCH3CHO 30
#define CH3CHO { \
/* Name = */ ("CH3CHO"), \
/* W = */ 0.0120107*2+0.00100784*4+0.0159994*1, \
/* inx = */ iCH3CHO, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.97*ATom, \
/* kbOveps = */ 1.0/436.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.0 \
} \
}
// CH3CO
#define iCH3CO 31
#define CH3CO { \
/* Name = */ ("CH3CO"), \
/* W = */ 0.0120107*2+0.00100784*3+0.0159994*1, \
/* inx = */ iCH3CO, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 5.313716500E+00, 9.173779300E-03, -3.322038600E-06, 5.394745600E-10, -3.245236800E-14, -3.645041400E+03, -1.675755800E+00 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 4.035870500E+00, 8.772948700E-04, 3.071001000E-05, -3.924756500E-08, 1.529686900E-11, -2.682073800E+03, 7.861768200E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 3.97*ATom, \
/* kbOveps = */ 1.0/436.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.0 \
} \
}
// H2CC
#define iH2CC 32
#define H2CC { \
/* Name = */ ("H2CC"), \
/* W = */ 0.0120107*2+0.00100784*2, \
/* inx = */ iH2CC, \
/* cpCoeff = */ { \
/* TSwitch1 = */ 1000.0, \
/* TSwitch2 = */ 6000.0, \
/* TMin = */ 200.0, \
/* TMax = */ 6000.0, \
/* cpM = */ { 0.000000000E+00, 0.000000000E+00, 4.278073050E+00, 4.756226260E-03, -1.630073780E-06, 2.546226800E-10, -1.488600860E-14, 4.801404780E+04, 6.399786000E-01 }, \
/* cpL = */ { 0.000000000E+00, 0.000000000E+00, 3.281549410E+00, 6.976426500E-03, -2.385279140E-06, -1.210776310E-09, 9.820417340E-13, 4.831917060E+04, 5.920356860E+00 }, \
}, \
/* DiffCoeff = */ { \
/* Geom = */ SpeciesGeom_NonLinear, \
/* sigma = */ 4.1*ATom, \
/* kbOveps = */ 1.0/209.0, \
/* mu = */ 0.0*DToCm, \
/* alpha = */ 0.0*ATom*ATom*ATom, \
/* Z298 = */ 2.5 \
} \
}
//---------------------------------
// Define Reactions
//---------------------------------
// R 1: H + O2 <=> O + OH
#define R1 { \
/* ArrCoeff = */ { \
/* A = */ 9.841000000e+07, \
/* n = */ 0.000000000e+00, \
/* EovR = */ 7.704293669e+03, \
}, \
/* has_backward = */ true, \
/* Neducts = */ 2, \
/* Npducts = */ 2, \
/* educts = */ { \
{ /* ind = */ iH , /* nu = */ 1 }, \
{ /* ind = */ iO2 , /* nu = */ 1 } \
}, \
/* pducts = */ { \
{ /* ind = */ iO , /* nu = */ 1 }, \
{ /* ind = */ iOH , /* nu = */ 1 }, \
{ /* ind = */ 0 , /* nu = */ 1 } \
} \
}
// R 2: O + H2 <=> H + OH
#define R2 { \
/* ArrCoeff = */ { \
/* A = */ 3.848000000e+06, \
/* n = */ 0.000000000e+00, \
/* EovR = */ 4.000596647e+03, \
}, \
/* has_backward = */ true, \
/* Neducts = */ 2, \
/* Npducts = */ 2, \
/* educts = */ { \
{ /* ind = */ iO , /* nu = */ 1 }, \
{ /* ind = */ iH2 , /* nu = */ 1 } \
}, \
/* pducts = */ { \
{ /* ind = */ iH , /* nu = */ 1 }, \
{ /* ind = */ iOH , /* nu = */ 1 }, \
{ /* ind = */ 0 , /* nu = */ 1 } \
} \
}
// R 3: O + H2 <=> H + OH
#define R3 { \
/* ArrCoeff = */ { \
/* A = */ 6.687000000e+08, \
/* n = */ 0.000000000e+00, \
/* EovR = */ 9.651753924e+03, \
}, \
/* has_backward = */ true, \
/* Neducts = */ 2, \
/* Npducts = */ 2, \
/* educts = */ { \
{ /* ind = */ iO , /* nu = */ 1 }, \
{ /* ind = */ iH2 , /* nu = */ 1 } \
}, \
/* pducts = */ { \
{ /* ind = */ iH , /* nu = */ 1 }, \
{ /* ind = */ iOH , /* nu = */ 1 }, \
{ /* ind = */ 0 , /* nu = */ 1 } \
} \
}
// R 4: OH + H2 <=> H + H2O
#define R4 { \
/* ArrCoeff = */ { \
/* A = */ 2.256000000e+02, \
/* n = */ 1.510000000e+00, \
/* EovR = */ 1.729566123e+03, \
}, \
/* has_backward = */ true, \
/* Neducts = */ 2, \
/* Npducts = */ 2, \
/* educts = */ { \
{ /* ind = */ iOH , /* nu = */ 1 }, \
{ /* ind = */ iH2 , /* nu = */ 1 } \
}, \
/* pducts = */ { \
{ /* ind = */ iH , /* nu = */ 1 }, \
{ /* ind = */ iH2O, /* nu = */ 1 }, \
{ /* ind = */ 0 , /* nu = */ 1 } \
} \
}
// R 5: 2 OH <=> O + H2O
#define R5 { \
/* ArrCoeff = */ { \
/* A = */ 3.161000000e-02, \
/* n = */ 2.420000000e+00, \
/* EovR = */ -9.702075894e+02, \
}, \
/* has_backward = */ true, \
/* Neducts = */ 1, \
/* Npducts = */ 2, \
/* educts = */ { \
{ /* ind = */ iOH , /* nu = */ 2 }, \
{ /* ind = */ 0 , /* nu = */ 1 } \
}, \
/* pducts = */ { \
{ /* ind = */ iO , /* nu = */ 1 }, \
{ /* ind = */ iH2O, /* nu = */ 1 }, \
{ /* ind = */ 0 , /* nu = */ 1 } \
} \
}
// R 6: H2 <=> 2 H
#define R6 { \
/* ArrCoeff = */ { \
/* A = */ 4.580000000e+13, \
/* n = */ -1.400000000e+00, \
/* EovR = */ 5.253110491e+04, \
}, \
/* has_backward = */ true, \
/* Neducts = */ 1, \
/* Npducts = */ 1, \
/* Nthirdb = */ 8, \
/* educts = */ { \
{ /* ind = */ iH2 , /* nu = */ 1 }, \
{ /* ind = */ 0 , /* nu = */ 1 } \
}, \
/* pducts = */ { \
{ /* ind = */ iH , /* nu = */ 2 }, \
{ /* ind = */ 0 , /* nu = */ 1 }, \
{ /* ind = */ 0 , /* nu = */ 1 } \
}, \
/* thirdb = */ { \
{ /* ind = */ iC2H6, /* eff = */ 3.0 }, \
{ /* ind = */ iCH2O, /* eff = */ 2.5 }, \
{ /* ind = */ iCH3OH, /* eff = */ 3.0 }, \
{ /* ind = */ iCH4, /* eff = */ 2.0 }, \
{ /* ind = */ iCO , /* eff = */ 1.95 }, \
{ /* ind = */ iCO2, /* eff = */ 3.83 }, \
{ /* ind = */ iH2 , /* eff = */ 2.55 }, \
{ /* ind = */ iH2O, /* eff = */ 12.02 }, \
{ /* ind = */ 0 , /* eff = */ 1 }, \
{ /* ind = */ 0 , /* eff = */ 1 } \
} \
}
// R 7: 2 O <=> O2