subcycling from field without e-field

2016-11-28 21:14:50 +09:00 · 2016-11-28 21:14:50 +09:00 · af5c2365b2
commit af5c2365b2
98 changed files with 738882 additions and 0 deletions
--- a/.gitignore
+++ b/.gitignore
@ -0,0 +1,16 @@
+.*.swp
+*.gz
+log.*
+postProcessing
+*~
+processor*
+[0-9]*
+[0-9]*.[0-9]*
+!0.org
+constant/extendedFeatureEdgeMesh
+*.eMesh
+constant/polyMesh/*
+!constant/polyMesh/blockMeshDict
+constant/cellToRegion
+*.OpenFOAM
+*.foam
--- a/0.org/AR
+++ b/0.org/AR
--- a/0.org/C
+++ b/0.org/C
--- a/0.org/C2H
+++ b/0.org/C2H
--- a/0.org/C2H2
+++ b/0.org/C2H2
--- a/0.org/C2H3
+++ b/0.org/C2H3
--- a/0.org/C2H4
+++ b/0.org/C2H4
--- a/0.org/C2H5
+++ b/0.org/C2H5
--- a/0.org/C2H6
+++ b/0.org/C2H6
--- a/0.org/C3H7
+++ b/0.org/C3H7
--- a/0.org/C3H8
+++ b/0.org/C3H8
--- a/0.org/CH
+++ b/0.org/CH
--- a/0.org/CH2
+++ b/0.org/CH2
--- a/0.org/CH2(S)
+++ b/0.org/CH2(S)
--- a/0.org/CH2CHO
+++ b/0.org/CH2CHO
--- a/0.org/CH2CO
+++ b/0.org/CH2CO
--- a/0.org/CH2O
+++ b/0.org/CH2O
--- a/0.org/CH2OH
+++ b/0.org/CH2OH
--- a/0.org/CH3
+++ b/0.org/CH3
--- a/0.org/CH3CHO
+++ b/0.org/CH3CHO
--- a/0.org/CH3O
+++ b/0.org/CH3O
--- a/0.org/CH3OH
+++ b/0.org/CH3OH
--- a/0.org/CH4
+++ b/0.org/CH4
--- a/0.org/CN
+++ b/0.org/CN
--- a/0.org/CO
+++ b/0.org/CO
--- a/0.org/CO2
+++ b/0.org/CO2
--- a/0.org/De
+++ b/0.org/De
--- a/0.org/E-
+++ b/0.org/E-
@ -0,0 +1,65 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.x                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "1.00003";
+    object      E-;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    nzLow
+    {
+        type            fixedValue;
+        value           uniform 0;
+    }
+    nzUpp
+    {
+        type            fixedValue;
+        value           uniform 0;
+    }
+    coLow
+    {
+        type            fixedValue;
+        value           uniform 0;
+    }
+    coUpp
+    {
+        type            fixedValue;
+        value           uniform 0;
+    }
+    outlet
+    {
+        type            inletOutlet;
+        inletValue      uniform 0;
+        value           uniform 0;
+    }
+    front
+    {
+        type            wedge;
+    }
+    back
+    {
+        type            wedge;
+    }
+    axis
+    {
+        type            empty;
+    }
+}
+
+
+// ************************************************************************* //
--- a/0.org/H
+++ b/0.org/H
--- a/0.org/H2
+++ b/0.org/H2
--- a/0.org/H2CN
+++ b/0.org/H2CN
--- a/0.org/H2O
+++ b/0.org/H2O
--- a/0.org/H2O2
+++ b/0.org/H2O2
--- a/0.org/H3O()
+++ b/0.org/H3O()
--- a/0.org/HCCO
+++ b/0.org/HCCO
--- a/0.org/HCCOH
+++ b/0.org/HCCOH
--- a/0.org/HCN
+++ b/0.org/HCN
--- a/0.org/HCNN
+++ b/0.org/HCNN
--- a/0.org/HCNO
+++ b/0.org/HCNO
--- a/0.org/HCO
+++ b/0.org/HCO
--- a/0.org/HCO()
+++ b/0.org/HCO()
--- a/0.org/HNCO
+++ b/0.org/HNCO
--- a/0.org/HNO
+++ b/0.org/HNO
--- a/0.org/HO2
+++ b/0.org/HO2
--- a/0.org/HOCN
+++ b/0.org/HOCN
--- a/0.org/N
+++ b/0.org/N
--- a/0.org/N2
+++ b/0.org/N2
--- a/0.org/N2O
+++ b/0.org/N2O
--- a/0.org/NCO
+++ b/0.org/NCO
--- a/0.org/NH
+++ b/0.org/NH
--- a/0.org/NH2
+++ b/0.org/NH2
--- a/0.org/NH3
+++ b/0.org/NH3
--- a/0.org/NNH
+++ b/0.org/NNH
--- a/0.org/NO
+++ b/0.org/NO
--- a/0.org/NO2
+++ b/0.org/NO2
--- a/0.org/O
+++ b/0.org/O
--- a/0.org/O2
+++ b/0.org/O2
--- a/0.org/OH
+++ b/0.org/OH
--- a/0.org/Phi
+++ b/0.org/Phi
--- a/0.org/T
+++ b/0.org/T
--- a/0.org/Te
+++ b/0.org/Te
--- a/0.org/U
+++ b/0.org/U
--- a/0.org/dQ
+++ b/0.org/dQ
--- a/0.org/h
+++ b/0.org/h
--- a/0.org/mue
+++ b/0.org/mue
--- a/0.org/ne
+++ b/0.org/ne
--- a/0.org/p
+++ b/0.org/p
--- a/0.org/phi
+++ b/0.org/phi
--- a/0.org/qc
+++ b/0.org/qc
--- a/0.org/rho
+++ b/0.org/rho
--- a/0.org/rhoq
+++ b/0.org/rhoq
--- a/CH4_O2_N2_diffusion.csv
+++ b/CH4_O2_N2_diffusion.csv
@ -0,0 +1,86 @@
+z (m),u (m/s),V (1/s),T (K),rho (kg/m3),H2,H,O,O2,OH,H2O,HO2,H2O2,C,CH,He,CH2,CH2(S),CH3,CH4,CO,CO2,HCO,CH2O,CH2OH,CH3O,CH3OH,C2H,C2H2,C2H3,C2H4,C2H5,C2H6,HCCO,CH2CO,HCCOH,N,NH,NH2,NH3,NNH,NO,NO2,N2O,HNO,CN,HCN,H2CN,HCNN,HCNO,HOCN,HNCO,NCO,N2,AR,C3H7,C3H8,CH2CHO,CH3CHO
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--- a/cantera-transport.cti
+++ b/cantera-transport.cti
--- a/constant/chemistryProperties
+++ b/constant/chemistryProperties
@ -0,0 +1,41 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      chemistryProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+chemistryType
+{
+    chemistrySolver   EulerImplicit;
+    chemistryThermo   psi;
+}
+
+chemistry           on;
+
+initialChemicalTimeStep 1e-07;
+
+EulerImplicitCoeffs
+{
+    cTauChem        1;
+    equilibriumRateLimiter off;
+}
+
+odeCoeffs
+{
+    solver          rodas23;
+    absTol          1e-12;
+    relTol          0.01;
+}
+
+// ************************************************************************* //
--- a/constant/combustionProperties
+++ b/constant/combustionProperties
@ -0,0 +1,28 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      combustionProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+combustionModel  laminar<psiChemistryCombustion>;
+
+active  true; false; // 
+
+laminarCoeffs
+{
+    integrateReactionRate true;
+}
+
+
+// ************************************************************************* //
--- a/constant/g
+++ b/constant/g
@ -0,0 +1,22 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       uniformDimensionedVectorField;
+    location    "constant";
+    object      g;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -2 0 0 0 0];
+value           ( 0 0 0 );
+
+
+// ************************************************************************* //
--- a/constant/gri/GRI30/grimech30.dat
+++ b/constant/gri/GRI30/grimech30.dat
@ -0,0 +1,449 @@
+! GRI-Mech Version 3.0 7/30/99  CHEMKIN-II format
+! See README30 file at anonymous FTP site unix.sri.com, directory gri;
+! WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or
+! through http://www.gri.org , under 'Basic  Research', 
+! for additional information, contacts, and disclaimer
+ELEMENTS
+O  H  C  N  AR
+END
+SPECIES
+H2      H       O       O2      OH      H2O     HO2     H2O2    
+C       CH      CH2     CH2(S)  CH3     CH4     CO      CO2     
+HCO     CH2O    CH2OH   CH3O    CH3OH   C2H     C2H2    C2H3    
+C2H4    C2H5    C2H6    HCCO    CH2CO   HCCOH   N       NH      
+NH2     NH3     NNH     NO      NO2     N2O     HNO     CN      
+HCN     H2CN    HCNN    HCNO    HOCN    HNCO    NCO     N2      
+AR      C3H7    C3H8    CH2CHO  CH3CHO
+END
+!THERMO
+! Insert GRI-Mech thermodynamics here or use in default file
+!END
+REACTIONS
+2O+M<=>O2+M                              1.200E+17   -1.000        .00
+H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/  .83/ 
+O+H+M<=>OH+M                             5.000E+17   -1.000        .00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+H2<=>H+OH                              3.870E+04    2.700    6260.00
+O+HO2<=>OH+O2                            2.000E+13     .000        .00
+O+H2O2<=>OH+HO2                          9.630E+06    2.000    4000.00
+O+CH<=>H+CO                              5.700E+13     .000        .00
+O+CH2<=>H+HCO                            8.000E+13     .000        .00
+O+CH2(S)<=>H2+CO                         1.500E+13     .000        .00
+O+CH2(S)<=>H+HCO                         1.500E+13     .000        .00
+O+CH3<=>H+CH2O                           5.060E+13     .000        .00
+O+CH4<=>OH+CH3                           1.020E+09    1.500    8600.00
+O+CO(+M)<=>CO2(+M)                       1.800E+10     .000    2385.00
+   LOW/ 6.020E+14     .000    3000.00/
+H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/ .50/ 
+O+HCO<=>OH+CO                            3.000E+13     .000        .00
+O+HCO<=>H+CO2                            3.000E+13     .000        .00
+O+CH2O<=>OH+HCO                          3.900E+13     .000    3540.00
+O+CH2OH<=>OH+CH2O                        1.000E+13     .000        .00
+O+CH3O<=>OH+CH2O                         1.000E+13     .000        .00
+O+CH3OH<=>OH+CH2OH                       3.880E+05    2.500    3100.00
+O+CH3OH<=>OH+CH3O                        1.300E+05    2.500    5000.00
+O+C2H<=>CH+CO                            5.000E+13     .000        .00
+O+C2H2<=>H+HCCO                          1.350E+07    2.000    1900.00
+O+C2H2<=>OH+C2H                          4.600E+19   -1.410   28950.00
+O+C2H2<=>CO+CH2                          6.940E+06    2.000    1900.00
+O+C2H3<=>H+CH2CO                         3.000E+13     .000        .00
+O+C2H4<=>CH3+HCO                         1.250E+07    1.830     220.00
+O+C2H5<=>CH3+CH2O                        2.240E+13     .000        .00
+O+C2H6<=>OH+C2H5                         8.980E+07    1.920    5690.00
+O+HCCO<=>H+2CO                           1.000E+14     .000        .00
+O+CH2CO<=>OH+HCCO                        1.000E+13     .000    8000.00
+O+CH2CO<=>CH2+CO2                        1.750E+12     .000    1350.00
+O2+CO<=>O+CO2                            2.500E+12     .000   47800.00
+O2+CH2O<=>HO2+HCO                        1.000E+14     .000   40000.00
+H+O2+M<=>HO2+M                           2.800E+18    -.860        .00
+O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/ AR/ .00/ 
+H+2O2<=>HO2+O2                           2.080E+19   -1.240        .00
+H+O2+H2O<=>HO2+H2O                       11.26E+18    -.760        .00
+H+O2+N2<=>HO2+N2                         2.600E+19   -1.240        .00
+H+O2+AR<=>HO2+AR                         7.000E+17    -.800        .00
+H+O2<=>O+OH                              2.650E+16    -.6707  17041.00
+2H+M<=>H2+M                              1.000E+18   -1.000        .00
+H2/ .00/ H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ AR/ .63/ 
+2H+H2<=>2H2                              9.000E+16    -.600        .00
+2H+H2O<=>H2+H2O                          6.000E+19   -1.250        .00
+2H+CO2<=>H2+CO2                          5.500E+20   -2.000        .00
+H+OH+M<=>H2O+M                           2.200E+22   -2.000        .00
+H2/ .73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/ .38/ 
+H+HO2<=>O+H2O                            3.970E+12     .000     671.00
+H+HO2<=>O2+H2                            4.480E+13     .000    1068.00
+H+HO2<=>2OH                              0.840E+14     .000     635.00
+H+H2O2<=>HO2+H2                          1.210E+07    2.000    5200.00
+H+H2O2<=>OH+H2O                          1.000E+13     .000    3600.00
+H+CH<=>C+H2                              1.650E+14     .000        .00
+H+CH2(+M)<=>CH3(+M)                      6.000E+14     .000        .00
+     LOW  /  1.040E+26   -2.760   1600.00/
+     TROE/   .5620  91.00  5836.00  8552.00/
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+CH2(S)<=>CH+H2                         3.000E+13     .000        .00
+H+CH3(+M)<=>CH4(+M)                      13.90E+15    -.534     536.00
+     LOW  /  2.620E+33   -4.760   2440.00/
+     TROE/   .7830   74.00  2941.00  6964.00 /
+H2/2.00/ H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+CH4<=>CH3+H2                           6.600E+08    1.620   10840.00
+H+HCO(+M)<=>CH2O(+M)                     1.090E+12     .480    -260.00
+     LOW  /  2.470E+24   -2.570    425.00/
+     TROE/   .7824  271.00  2755.00  6570.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+HCO<=>H2+CO                            7.340E+13     .000        .00
+H+CH2O(+M)<=>CH2OH(+M)                   5.400E+11     .454    3600.00
+     LOW  /  1.270E+32   -4.820   6530.00/
+     TROE/   .7187  103.00  1291.00  4160.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH2O(+M)<=>CH3O(+M)                    5.400E+11     .454    2600.00
+     LOW  /  2.200E+30   -4.800   5560.00/
+     TROE/   .7580   94.00  1555.00  4200.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH2O<=>HCO+H2                          5.740E+07    1.900    2742.00
+H+CH2OH(+M)<=>CH3OH(+M)                  1.055E+12     .500      86.00
+     LOW  /  4.360E+31   -4.650   5080.00/
+     TROE/   .600  100.00  90000.0  10000.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH2OH<=>H2+CH2O                        2.000E+13     .000        .00
+H+CH2OH<=>OH+CH3                         1.650E+11     .650    -284.00
+H+CH2OH<=>CH2(S)+H2O                     3.280E+13    -.090     610.00
+H+CH3O(+M)<=>CH3OH(+M)                   2.430E+12     .515      50.00
+     LOW  /  4.660E+41   -7.440   14080.0/
+     TROE/   .700  100.00  90000.0 10000.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH3O<=>H+CH2OH                         4.150E+07    1.630    1924.00
+H+CH3O<=>H2+CH2O                         2.000E+13     .000        .00
+H+CH3O<=>OH+CH3                          1.500E+12     .500    -110.00
+H+CH3O<=>CH2(S)+H2O                      2.620E+14    -.230    1070.00
+H+CH3OH<=>CH2OH+H2                       1.700E+07    2.100    4870.00
+H+CH3OH<=>CH3O+H2                        4.200E+06    2.100    4870.00
+H+C2H(+M)<=>C2H2(+M)                     1.000E+17   -1.000        .00
+     LOW  /  3.750E+33   -4.800   1900.00/
+     TROE/   .6464  132.00  1315.00  5566.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H2(+M)<=>C2H3(+M)                    5.600E+12     .000    2400.00
+     LOW  /  3.800E+40   -7.270   7220.00/
+     TROE/   .7507   98.50  1302.00  4167.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H3(+M)<=>C2H4(+M)                    6.080E+12     .270     280.00
+     LOW  /  1.400E+30   -3.860   3320.00/
+     TROE/   .7820  207.50  2663.00  6095.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H3<=>H2+C2H2                         3.000E+13     .000        .00
+H+C2H4(+M)<=>C2H5(+M)                    0.540E+12     .454    1820.00
+     LOW  /  0.600E+42   -7.620   6970.00/
+     TROE/   .9753  210.00   984.00  4374.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H4<=>C2H3+H2                         1.325E+06    2.530   12240.00
+H+C2H5(+M)<=>C2H6(+M)                    5.210E+17    -.990    1580.00
+     LOW  /  1.990E+41   -7.080   6685.00/
+     TROE/   .8422  125.00  2219.00  6882.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H5<=>H2+C2H4                         2.000E+12     .000        .00
+H+C2H6<=>C2H5+H2                         1.150E+08    1.900    7530.00
+H+HCCO<=>CH2(S)+CO                       1.000E+14     .000        .00
+H+CH2CO<=>HCCO+H2                        5.000E+13     .000    8000.00
+H+CH2CO<=>CH3+CO                         1.130E+13     .000    3428.00
+H+HCCOH<=>H+CH2CO                        1.000E+13     .000        .00
+H2+CO(+M)<=>CH2O(+M)                     4.300E+07    1.500   79600.00
+     LOW  /  5.070E+27   -3.420  84350.00/
+     TROE/   .9320  197.00  1540.00 10300.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+OH+H2<=>H+H2O                            2.160E+08    1.510    3430.00
+2OH(+M)<=>H2O2(+M)                       7.400E+13    -.370        .00
+     LOW  /  2.300E+18    -.900  -1700.00/
+     TROE/   .7346   94.00  1756.00  5182.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+2OH<=>O+H2O                              3.570E+04    2.400   -2110.00
+OH+HO2<=>O2+H2O                          1.450E+13     .000    -500.00
+ DUPLICATE
+OH+H2O2<=>HO2+H2O                        2.000E+12     .000     427.00
+ DUPLICATE
+OH+H2O2<=>HO2+H2O                        1.700E+18     .000   29410.00
+ DUPLICATE
+OH+C<=>H+CO                              5.000E+13     .000        .00
+OH+CH<=>H+HCO                            3.000E+13     .000        .00
+OH+CH2<=>H+CH2O                          2.000E+13     .000        .00
+OH+CH2<=>CH+H2O                          1.130E+07    2.000    3000.00
+OH+CH2(S)<=>H+CH2O                       3.000E+13     .000        .00
+OH+CH3(+M)<=>CH3OH(+M)                   2.790E+18   -1.430    1330.00
+     LOW  /  4.000E+36   -5.920   3140.00/
+     TROE/   .4120  195.0  5900.00  6394.00/ 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+OH+CH3<=>CH2+H2O                         5.600E+07    1.600    5420.00
+OH+CH3<=>CH2(S)+H2O                      6.440E+17   -1.340    1417.00
+OH+CH4<=>CH3+H2O                         1.000E+08    1.600    3120.00
+OH+CO<=>H+CO2                            4.760E+07    1.228      70.00
+OH+HCO<=>H2O+CO                          5.000E+13     .000        .00
+OH+CH2O<=>HCO+H2O                        3.430E+09    1.180    -447.00
+OH+CH2OH<=>H2O+CH2O                      5.000E+12     .000        .00
+OH+CH3O<=>H2O+CH2O                       5.000E+12     .000        .00
+OH+CH3OH<=>CH2OH+H2O                     1.440E+06    2.000    -840.00
+OH+CH3OH<=>CH3O+H2O                      6.300E+06    2.000    1500.00
+OH+C2H<=>H+HCCO                          2.000E+13     .000        .00
+OH+C2H2<=>H+CH2CO                        2.180E-04    4.500   -1000.00
+OH+C2H2<=>H+HCCOH                        5.040E+05    2.300   13500.00
+OH+C2H2<=>C2H+H2O                        3.370E+07    2.000   14000.00
+OH+C2H2<=>CH3+CO                         4.830E-04    4.000   -2000.00
+OH+C2H3<=>H2O+C2H2                       5.000E+12     .000        .00
+OH+C2H4<=>C2H3+H2O                       3.600E+06    2.000    2500.00
+OH+C2H6<=>C2H5+H2O                       3.540E+06    2.120     870.00
+OH+CH2CO<=>HCCO+H2O                      7.500E+12     .000    2000.00
+2HO2<=>O2+H2O2                           1.300E+11     .000   -1630.00
+ DUPLICATE
+2HO2<=>O2+H2O2                           4.200E+14     .000   12000.00
+ DUPLICATE
+HO2+CH2<=>OH+CH2O                        2.000E+13     .000        .00
+HO2+CH3<=>O2+CH4                         1.000E+12     .000        .00
+HO2+CH3<=>OH+CH3O                        3.780E+13     .000        .00
+HO2+CO<=>OH+CO2                          1.500E+14     .000   23600.00
+HO2+CH2O<=>HCO+H2O2                      5.600E+06    2.000   12000.00
+C+O2<=>O+CO                              5.800E+13     .000     576.00
+C+CH2<=>H+C2H                            5.000E+13     .000        .00
+C+CH3<=>H+C2H2                           5.000E+13     .000        .00
+CH+O2<=>O+HCO                            6.710E+13     .000        .00
+CH+H2<=>H+CH2                            1.080E+14     .000    3110.00
+CH+H2O<=>H+CH2O                          5.710E+12     .000    -755.00
+CH+CH2<=>H+C2H2                          4.000E+13     .000        .00
+CH+CH3<=>H+C2H3                          3.000E+13     .000        .00
+CH+CH4<=>H+C2H4                          6.000E+13     .000        .00
+CH+CO(+M)<=>HCCO(+M)                     5.000E+13     .000        .00
+     LOW  /  2.690E+28   -3.740   1936.00/
+     TROE/   .5757  237.00  1652.00  5069.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+CH+CO2<=>HCO+CO                          1.900E+14     .000   15792.00
+CH+CH2O<=>H+CH2CO                        9.460E+13     .000    -515.00
+CH+HCCO<=>CO+C2H2                        5.000E+13     .000        .00
+CH2+O2=>OH+H+CO                          5.000E+12     .000    1500.00
+CH2+H2<=>H+CH3                           5.000E+05    2.000    7230.00
+2CH2<=>H2+C2H2                           1.600E+15     .000   11944.00
+CH2+CH3<=>H+C2H4                         4.000E+13     .000        .00
+CH2+CH4<=>2CH3                           2.460E+06    2.000    8270.00
+CH2+CO(+M)<=>CH2CO(+M)                   8.100E+11     .500    4510.00
+     LOW  /  2.690E+33   -5.110   7095.00/
+     TROE/   .5907  275.00  1226.00  5185.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+CH2+HCCO<=>C2H3+CO                       3.000E+13     .000        .00
+CH2(S)+N2<=>CH2+N2                       1.500E+13     .000     600.00
+CH2(S)+AR<=>CH2+AR                       9.000E+12     .000     600.00
+CH2(S)+O2<=>H+OH+CO                      2.800E+13     .000        .00
+CH2(S)+O2<=>CO+H2O                       1.200E+13     .000        .00
+CH2(S)+H2<=>CH3+H                        7.000E+13     .000        .00
+CH2(S)+H2O(+M)<=>CH3OH(+M)               4.820E+17   -1.160    1145.00
+     LOW  /  1.880E+38   -6.360   5040.00/
+     TROE/   .6027  208.00  3922.00  10180.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+CH2(S)+H2O<=>CH2+H2O                     3.000E+13     .000        .00
+CH2(S)+CH3<=>H+C2H4                      1.200E+13     .000    -570.00
+CH2(S)+CH4<=>2CH3                        1.600E+13     .000    -570.00
+CH2(S)+CO<=>CH2+CO                       9.000E+12     .000        .00
+CH2(S)+CO2<=>CH2+CO2                     7.000E+12     .000        .00
+CH2(S)+CO2<=>CO+CH2O                     1.400E+13     .000        .00
+CH2(S)+C2H6<=>CH3+C2H5                   4.000E+13     .000    -550.00
+CH3+O2<=>O+CH3O                          3.560E+13     .000   30480.00
+CH3+O2<=>OH+CH2O                         2.310E+12     .000   20315.00
+CH3+H2O2<=>HO2+CH4                       2.450E+04    2.470    5180.00
+2CH3(+M)<=>C2H6(+M)                      6.770E+16   -1.180     654.00
+     LOW  /  3.400E+41   -7.030   2762.00/
+     TROE/   .6190  73.20  1180.00  9999.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+2CH3<=>H+C2H5                            6.840E+12     .100   10600.00
+CH3+HCO<=>CH4+CO                         2.648E+13     .000        .00
+CH3+CH2O<=>HCO+CH4                       3.320E+03    2.810    5860.00
+CH3+CH3OH<=>CH2OH+CH4                    3.000E+07    1.500    9940.00
+CH3+CH3OH<=>CH3O+CH4                     1.000E+07    1.500    9940.00
+CH3+C2H4<=>C2H3+CH4                      2.270E+05    2.000    9200.00
+CH3+C2H6<=>C2H5+CH4                      6.140E+06    1.740   10450.00
+HCO+H2O<=>H+CO+H2O                       1.500E+18   -1.000   17000.00
+HCO+M<=>H+CO+M                           1.870E+17   -1.000   17000.00
+H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+HCO+O2<=>HO2+CO                          13.45E+12     .000     400.00
+CH2OH+O2<=>HO2+CH2O                      1.800E+13     .000     900.00
+CH3O+O2<=>HO2+CH2O                       4.280E-13    7.600   -3530.00
+C2H+O2<=>HCO+CO                          1.000E+13     .000    -755.00
+C2H+H2<=>H+C2H2                          5.680E+10    0.900    1993.00
+C2H3+O2<=>HCO+CH2O                       4.580E+16   -1.390    1015.00
+C2H4(+M)<=>H2+C2H2(+M)                   8.000E+12     .440   86770.00
+     LOW  /  1.580E+51   -9.300  97800.00/
+     TROE/   .7345  180.00  1035.00  5417.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+C2H5+O2<=>HO2+C2H4                       8.400E+11     .000    3875.00
+HCCO+O2<=>OH+2CO                         3.200E+12     .000     854.00
+2HCCO<=>2CO+C2H2                         1.000E+13     .000        .00
+N+NO<=>N2+O                              2.700E+13     .000     355.00
+N+O2<=>NO+O                              9.000E+09    1.000    6500.00
+N+OH<=>NO+H                              3.360E+13     .000     385.00
+N2O+O<=>N2+O2                            1.400E+12     .000   10810.00
+N2O+O<=>2NO                              2.900E+13     .000   23150.00
+N2O+H<=>N2+OH                            3.870E+14     .000   18880.00
+N2O+OH<=>N2+HO2                          2.000E+12     .000   21060.00
+N2O(+M)<=>N2+O(+M)                       7.910E+10     .000   56020.00
+     LOW  /  6.370E+14     .000  56640.00/
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .625/ 
+HO2+NO<=>NO2+OH                          2.110E+12     .000    -480.00
+NO+O+M<=>NO2+M                           1.060E+20   -1.410        .00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+NO2+O<=>NO+O2                            3.900E+12     .000    -240.00
+NO2+H<=>NO+OH                            1.320E+14     .000     360.00
+NH+O<=>NO+H                              4.000E+13     .000        .00
+NH+H<=>N+H2                              3.200E+13     .000     330.00
+NH+OH<=>HNO+H                            2.000E+13     .000        .00
+NH+OH<=>N+H2O                            2.000E+09    1.200        .00
+NH+O2<=>HNO+O                            4.610E+05    2.000    6500.00
+NH+O2<=>NO+OH                            1.280E+06    1.500     100.00
+NH+N<=>N2+H                              1.500E+13     .000        .00
+NH+H2O<=>HNO+H2                          2.000E+13     .000   13850.00
+NH+NO<=>N2+OH                            2.160E+13    -.230        .00
+NH+NO<=>N2O+H                            3.650E+14    -.450        .00
+NH2+O<=>OH+NH                            3.000E+12     .000        .00
+NH2+O<=>H+HNO                            3.900E+13     .000        .00
+NH2+H<=>NH+H2                            4.000E+13     .000    3650.00
+NH2+OH<=>NH+H2O                          9.000E+07    1.500    -460.00
+NNH<=>N2+H                               3.300E+08     .000        .00
+NNH+M<=>N2+H+M                           1.300E+14    -.110    4980.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+NNH+O2<=>HO2+N2                          5.000E+12     .000        .00
+NNH+O<=>OH+N2                            2.500E+13     .000        .00
+NNH+O<=>NH+NO                            7.000E+13     .000        .00
+NNH+H<=>H2+N2                            5.000E+13     .000        .00
+NNH+OH<=>H2O+N2                          2.000E+13     .000        .00
+NNH+CH3<=>CH4+N2                         2.500E+13     .000        .00
+H+NO+M<=>HNO+M                           4.480E+19   -1.320     740.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+HNO+O<=>NO+OH                            2.500E+13     .000        .00
+HNO+H<=>H2+NO                            9.000E+11     .720     660.00
+HNO+OH<=>NO+H2O                          1.300E+07    1.900    -950.00
+HNO+O2<=>HO2+NO                          1.000E+13     .000   13000.00
+CN+O<=>CO+N                              7.700E+13     .000        .00
+CN+OH<=>NCO+H                            4.000E+13     .000        .00
+CN+H2O<=>HCN+OH                          8.000E+12     .000    7460.00
+CN+O2<=>NCO+O                            6.140E+12     .000    -440.00
+CN+H2<=>HCN+H                            2.950E+05    2.450    2240.00
+NCO+O<=>NO+CO                            2.350E+13     .000        .00
+NCO+H<=>NH+CO                            5.400E+13     .000        .00
+NCO+OH<=>NO+H+CO                         0.250E+13     .000        .00
+NCO+N<=>N2+CO                            2.000E+13     .000        .00
+NCO+O2<=>NO+CO2                          2.000E+12     .000   20000.00
+NCO+M<=>N+CO+M                           3.100E+14     .000   54050.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+NCO+NO<=>N2O+CO                          1.900E+17   -1.520     740.00
+NCO+NO<=>N2+CO2                          3.800E+18   -2.000     800.00
+HCN+M<=>H+CN+M                           1.040E+29   -3.300  126600.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+HCN+O<=>NCO+H                            2.030E+04    2.640    4980.00
+HCN+O<=>NH+CO                            5.070E+03    2.640    4980.00
+HCN+O<=>CN+OH                            3.910E+09    1.580   26600.00
+HCN+OH<=>HOCN+H                          1.100E+06    2.030   13370.00
+HCN+OH<=>HNCO+H                          4.400E+03    2.260    6400.00
+HCN+OH<=>NH2+CO                          1.600E+02    2.560    9000.00
+H+HCN(+M)<=>H2CN(+M)                     3.300E+13     .000        .00
+      LOW /  1.400E+26   -3.400    1900.00/
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H2CN+N<=>N2+CH2                          6.000E+13     .000     400.00
+C+N2<=>CN+N                              6.300E+13     .000   46020.00
+CH+N2<=>HCN+N                            3.120E+09    0.880   20130.00
+CH+N2(+M)<=>HCNN(+M)                     3.100E+12     .150        .00
+     LOW  /  1.300E+25   -3.160    740.00/
+     TROE/   .6670  235.00  2117.00  4536.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ 1.0/ 
+CH2+N2<=>HCN+NH                          1.000E+13     .000   74000.00
+CH2(S)+N2<=>NH+HCN                       1.000E+11     .000   65000.00
+C+NO<=>CN+O                              1.900E+13     .000        .00
+C+NO<=>CO+N                              2.900E+13     .000        .00
+CH+NO<=>HCN+O                            4.100E+13     .000        .00
+CH+NO<=>H+NCO                            1.620E+13     .000        .00
+CH+NO<=>N+HCO                            2.460E+13     .000        .00
+CH2+NO<=>H+HNCO                          3.100E+17   -1.380    1270.00
+CH2+NO<=>OH+HCN                          2.900E+14    -.690     760.00
+CH2+NO<=>H+HCNO                          3.800E+13    -.360     580.00
+CH2(S)+NO<=>H+HNCO                       3.100E+17   -1.380    1270.00
+CH2(S)+NO<=>OH+HCN                       2.900E+14    -.690     760.00
+CH2(S)+NO<=>H+HCNO                       3.800E+13    -.360     580.00
+CH3+NO<=>HCN+H2O                         9.600E+13     .000   28800.00
+CH3+NO<=>H2CN+OH                         1.000E+12     .000   21750.00
+HCNN+O<=>CO+H+N2                         2.200E+13     .000        .00
+HCNN+O<=>HCN+NO                          2.000E+12     .000        .00
+HCNN+O2<=>O+HCO+N2                       1.200E+13     .000        .00
+HCNN+OH<=>H+HCO+N2                       1.200E+13     .000        .00
+HCNN+H<=>CH2+N2                          1.000E+14     .000        .00
+HNCO+O<=>NH+CO2                          9.800E+07    1.410    8500.00
+HNCO+O<=>HNO+CO                          1.500E+08    1.570   44000.00
+HNCO+O<=>NCO+OH                          2.200E+06    2.110   11400.00
+HNCO+H<=>NH2+CO                          2.250E+07    1.700    3800.00
+HNCO+H<=>H2+NCO                          1.050E+05    2.500   13300.00
+HNCO+OH<=>NCO+H2O                        3.300E+07    1.500    3600.00
+HNCO+OH<=>NH2+CO2                        3.300E+06    1.500    3600.00
+HNCO+M<=>NH+CO+M                         1.180E+16     .000   84720.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+HCNO+H<=>H+HNCO                          2.100E+15    -.690    2850.00
+HCNO+H<=>OH+HCN                          2.700E+11     .180    2120.00
+HCNO+H<=>NH2+CO                          1.700E+14    -.750    2890.00
+HOCN+H<=>H+HNCO                          2.000E+07    2.000    2000.00
+HCCO+NO<=>HCNO+CO                        0.900E+13     .000        .00
+CH3+N<=>H2CN+H                           6.100E+14    -.310     290.00
+CH3+N<=>HCN+H2                           3.700E+12     .150     -90.00
+NH3+H<=>NH2+H2                           5.400E+05    2.400    9915.00
+NH3+OH<=>NH2+H2O                         5.000E+07    1.600     955.00
+NH3+O<=>NH2+OH                           9.400E+06    1.940    6460.00
+NH+CO2<=>HNO+CO                          1.000E+13     .000   14350.00
+CN+NO2<=>NCO+NO                          6.160E+15   -0.752     345.00
+NCO+NO2<=>N2O+CO2                        3.250E+12     .000    -705.00
+N+CO2<=>NO+CO                            3.000E+12     .000   11300.00
+O+CH3=>H+H2+CO                           3.370E+13     .000        .00
+O+C2H4<=>H+CH2CHO                        6.700E+06    1.830     220.00
+O+C2H5<=>H+CH3CHO                        1.096E+14     .000        .00
+OH+HO2<=>O2+H2O                          0.500E+16     .000   17330.00
+  DUPLICATE
+OH+CH3=>H2+CH2O                          8.000E+09     .500   -1755.00
+CH+H2(+M)<=>CH3(+M)                      1.970E+12     .430    -370.00
+   LOW/ 4.820E+25  -2.80  590.0 /
+   TROE/ .578  122.0  2535.0  9365.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+CH2+O2=>2H+CO2                           5.800E+12     .000    1500.00
+CH2+O2<=>O+CH2O                          2.400E+12     .000    1500.00
+CH2+CH2=>2H+C2H2                         2.000E+14     .000   10989.00
+CH2(S)+H2O=>H2+CH2O                      6.820E+10     .250    -935.00
+C2H3+O2<=>O+CH2CHO                       3.030E+11     .290      11.00
+C2H3+O2<=>HO2+C2H2                       1.337E+06    1.610    -384.00
+O+CH3CHO<=>OH+CH2CHO                     2.920E+12     .000    1808.00
+O+CH3CHO=>OH+CH3+CO                      2.920E+12     .000    1808.00
+O2+CH3CHO=>HO2+CH3+CO                    3.010E+13     .000   39150.00
+H+CH3CHO<=>CH2CHO+H2                     2.050E+09    1.160    2405.00
+H+CH3CHO=>CH3+H2+CO                      2.050E+09    1.160    2405.00
+OH+CH3CHO=>CH3+H2O+CO                    2.343E+10    0.730   -1113.00
+HO2+CH3CHO=>CH3+H2O2+CO                  3.010E+12     .000   11923.00
+CH3+CH3CHO=>CH3+CH4+CO                   2.720E+06    1.770    5920.00
+H+CH2CO(+M)<=>CH2CHO(+M)                 4.865E+11    0.422   -1755.00
+    LOW/ 1.012E+42  -7.63  3854.0/
+    TROE/ 0.465  201.0  1773.0  5333.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+CH2CHO=>H+CH2+CO2                      1.500E+14     .000       .00
+O2+CH2CHO=>OH+CO+CH2O                    1.810E+10     .000       .00
+O2+CH2CHO=>OH+2HCO                       2.350E+10     .000       .00
+H+CH2CHO<=>CH3+HCO                       2.200E+13     .000       .00
+H+CH2CHO<=>CH2CO+H2                      1.100E+13     .000       .00
+OH+CH2CHO<=>H2O+CH2CO                    1.200E+13     .000       .00
+OH+CH2CHO<=>HCO+CH2OH                    3.010E+13     .000       .00
+CH3+C2H5(+M)<=>C3H8(+M)                  .9430E+13     .000       .00
+     LOW/ 2.710E+74  -16.82  13065.0 /
+     TROE/ .1527  291.0  2742.0  7748.0 / 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+C3H8<=>OH+C3H7                         1.930E+05    2.680   3716.00
+H+C3H8<=>C3H7+H2                         1.320E+06    2.540   6756.00
+OH+C3H8<=>C3H7+H2O                       3.160E+07    1.800    934.00
+C3H7+H2O2<=>HO2+C3H8                     3.780E+02    2.720   1500.00
+CH3+C3H8<=>C3H7+CH4                      0.903E+00    3.650   7154.00
+CH3+C2H4(+M)<=>C3H7(+M)                  2.550E+06    1.600   5700.00
+      LOW/ 3.00E+63  -14.6  18170./
+      TROE/ .1894  277.0  8748.0  7891.0 / 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+C3H7<=>C2H5+CH2O                       9.640E+13     .000       .00
+H+C3H7(+M)<=>C3H8(+M)                    3.613E+13     .000       .00
+      LOW/ 4.420E+61  -13.545  11357.0/
+      TROE/ .315  369.0  3285.0  6667.0 / 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C3H7<=>CH3+C2H5                        4.060E+06    2.190    890.00
+OH+C3H7<=>C2H5+CH2OH                     2.410E+13     .000       .00
+HO2+C3H7<=>O2+C3H8                       2.550E+10    0.255   -943.00
+HO2+C3H7=>OH+C2H5+CH2O                   2.410E+13     .000       .00
+CH3+C3H7<=>2C2H5                         1.927E+13   -0.320       .00
+END
--- a/constant/gri/GRI30/thermo30.dat
+++ b/constant/gri/GRI30/thermo30.dat
@ -0,0 +1,222 @@
+THERMO ALL
+   300.000  1000.000  5000.000
+! GRI-Mech Version 3.0 Thermodynamics released 7/30/99
+! NASA Polynomial format for CHEMKIN-II
+! see README file for disclaimer
+O                 L 1/90O   1               G   200.000  3500.000  1000.000    1
+ 2.56942078E+00-8.59741137E-05 4.19484589E-08-1.00177799E-11 1.22833691E-15    2
+ 2.92175791E+04 4.78433864E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06    3
+-6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00                   4
+O2                TPIS89O   2               G   200.000  3500.000  1000.000    1
+ 3.28253784E+00 1.48308754E-03-7.57966669E-07 2.09470555E-10-2.16717794E-14    2
+-1.08845772E+03 5.45323129E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06    3
+-9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00                   4
+H                 L 7/88H   1               G   200.000  3500.000  1000.000    1
+ 2.50000001E+00-2.30842973E-11 1.61561948E-14-4.73515235E-18 4.98197357E-22    2
+ 2.54736599E+04-4.46682914E-01 2.50000000E+00 7.05332819E-13-1.99591964E-15    3
+ 2.30081632E-18-9.27732332E-22 2.54736599E+04-4.46682853E-01                   4
+H2                TPIS78H   2               G   200.000  3500.000  1000.000    1
+ 3.33727920E+00-4.94024731E-05 4.99456778E-07-1.79566394E-10 2.00255376E-14    2
+-9.50158922E+02-3.20502331E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05    3
+ 2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01                   4
+OH                RUS 78O   1H   1          G   200.000  3500.000  1000.000    1
+ 3.09288767E+00 5.48429716E-04 1.26505228E-07-8.79461556E-11 1.17412376E-14    2
+ 3.85865700E+03 4.47669610E+00 3.99201543E+00-2.40131752E-03 4.61793841E-06    3
+-3.88113333E-09 1.36411470E-12 3.61508056E+03-1.03925458E-01                   4
+H2O               L 8/89H   2O   1          G   200.000  3500.000  1000.000    1
+ 3.03399249E+00 2.17691804E-03-1.64072518E-07-9.70419870E-11 1.68200992E-14    2
+-3.00042971E+04 4.96677010E+00 4.19864056E+00-2.03643410E-03 6.52040211E-06    3
+-5.48797062E-09 1.77197817E-12-3.02937267E+04-8.49032208E-01                   4
+HO2               L 5/89H   1O   2          G   200.000  3500.000  1000.000    1
+ 4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14    2
+ 1.11856713E+02 3.78510215E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05    3
+-2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00                   4
+H2O2              L 7/88H   2O   2          G   200.000  3500.000  1000.000    1
+ 4.16500285E+00 4.90831694E-03-1.90139225E-06 3.71185986E-10-2.87908305E-14    2
+-1.78617877E+04 2.91615662E+00 4.27611269E+00-5.42822417E-04 1.67335701E-05    3
+-2.15770813E-08 8.62454363E-12-1.77025821E+04 3.43505074E+00                   4
+C                 L11/88C   1               G   200.000  3500.000  1000.000    1
+ 2.49266888E+00 4.79889284E-05-7.24335020E-08 3.74291029E-11-4.87277893E-15    2
+ 8.54512953E+04 4.80150373E+00 2.55423955E+00-3.21537724E-04 7.33792245E-07    3
+-7.32234889E-10 2.66521446E-13 8.54438832E+04 4.53130848E+00                   4
+CH                TPIS79C   1H   1          G   200.000  3500.000  1000.000    1
+ 2.87846473E+00 9.70913681E-04 1.44445655E-07-1.30687849E-10 1.76079383E-14    2
+ 7.10124364E+04 5.48497999E+00 3.48981665E+00 3.23835541E-04-1.68899065E-06    3
+ 3.16217327E-09-1.40609067E-12 7.07972934E+04 2.08401108E+00                   4
+CH2               L S/93C   1H   2          G   200.000  3500.000  1000.000    1
+ 2.87410113E+00 3.65639292E-03-1.40894597E-06 2.60179549E-10-1.87727567E-14    2
+ 4.62636040E+04 6.17119324E+00 3.76267867E+00 9.68872143E-04 2.79489841E-06    3
+-3.85091153E-09 1.68741719E-12 4.60040401E+04 1.56253185E+00                   4
+CH2(S)            L S/93C   1H   2          G   200.000  3500.000  1000.000    1
+ 2.29203842E+00 4.65588637E-03-2.01191947E-06 4.17906000E-10-3.39716365E-14    2
+ 5.09259997E+04 8.62650169E+00 4.19860411E+00-2.36661419E-03 8.23296220E-06    3
+-6.68815981E-09 1.94314737E-12 5.04968163E+04-7.69118967E-01                   4
+CH3               L11/89C   1H   3          G   200.000  3500.000  1000.000    1
+ 2.28571772E+00 7.23990037E-03-2.98714348E-06 5.95684644E-10-4.67154394E-14    2
+ 1.67755843E+04 8.48007179E+00 3.67359040E+00 2.01095175E-03 5.73021856E-06    3
+-6.87117425E-09 2.54385734E-12 1.64449988E+04 1.60456433E+00                   4
+CH4               L 8/88C   1H   4          G   200.000  3500.000  1000.000    1
+ 7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13    2
+-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05    3
+-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00                   4
+CO                TPIS79C   1O   1          G   200.000  3500.000  1000.000    1
+ 2.71518561E+00 2.06252743E-03-9.98825771E-07 2.30053008E-10-2.03647716E-14    2
+-1.41518724E+04 7.81868772E+00 3.57953347E+00-6.10353680E-04 1.01681433E-06    3
+ 9.07005884E-10-9.04424499E-13-1.43440860E+04 3.50840928E+00                   4
+CO2               L 7/88C   1O   2          G   200.000  3500.000  1000.000    1
+ 3.85746029E+00 4.41437026E-03-2.21481404E-06 5.23490188E-10-4.72084164E-14    2
+-4.87591660E+04 2.27163806E+00 2.35677352E+00 8.98459677E-03-7.12356269E-06    3
+ 2.45919022E-09-1.43699548E-13-4.83719697E+04 9.90105222E+00                   4
+HCO               L12/89H   1C   1O   1     G   200.000  3500.000  1000.000    1
+ 2.77217438E+00 4.95695526E-03-2.48445613E-06 5.89161778E-10-5.33508711E-14    2
+ 4.01191815E+03 9.79834492E+00 4.22118584E+00-3.24392532E-03 1.37799446E-05    3
+-1.33144093E-08 4.33768865E-12 3.83956496E+03 3.39437243E+00                   4
+CH2O              L 8/88H   2C   1O   1     G   200.000  3500.000  1000.000    1
+ 1.76069008E+00 9.20000082E-03-4.42258813E-06 1.00641212E-09-8.83855640E-14    2
+-1.39958323E+04 1.36563230E+01 4.79372315E+00-9.90833369E-03 3.73220008E-05    3
+-3.79285261E-08 1.31772652E-11-1.43089567E+04 6.02812900E-01                   4
+CH2OH             GUNL93C   1H   3O   1     G   200.000  3500.000  1000.000    1
+ 3.69266569E+00 8.64576797E-03-3.75101120E-06 7.87234636E-10-6.48554201E-14    2
+-3.24250627E+03 5.81043215E+00 3.86388918E+00 5.59672304E-03 5.93271791E-06    3
+-1.04532012E-08 4.36967278E-12-3.19391367E+03 5.47302243E+00                   4
+CH3O              121686C   1H   3O   1     G   300.00   3000.00   1000.000    1
+ 0.03770799E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12    2
+ 0.12783252E+03 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04    3
+-0.07377636E-07 0.02075610E-10 0.09786011E+04 0.13152177E+02                   4
+CH3OH             L 8/88C   1H   4O   1     G   200.000  3500.000  1000.000    1
+ 1.78970791E+00 1.40938292E-02-6.36500835E-06 1.38171085E-09-1.17060220E-13    2
+-2.53748747E+04 1.45023623E+01 5.71539582E+00-1.52309129E-02 6.52441155E-05    3
+-7.10806889E-08 2.61352698E-11-2.56427656E+04-1.50409823E+00                   4
+C2H               L 1/91C   2H   1          G   200.000  3500.000  1000.000    1
+ 3.16780652E+00 4.75221902E-03-1.83787077E-06 3.04190252E-10-1.77232770E-14    2
+ 6.71210650E+04 6.63589475E+00 2.88965733E+00 1.34099611E-02-2.84769501E-05    3
+ 2.94791045E-08-1.09331511E-11 6.68393932E+04 6.22296438E+00                   4
+C2H2              L 1/91C   2H   2          G   200.000  3500.000  1000.000    1
+ 4.14756964E+00 5.96166664E-03-2.37294852E-06 4.67412171E-10-3.61235213E-14    2
+ 2.59359992E+04-1.23028121E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05    3
+ 2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01                   4
+C2H3              L 2/92C   2H   3          G   200.000  3500.000  1000.000    1
+ 3.01672400E+00 1.03302292E-02-4.68082349E-06 1.01763288E-09-8.62607041E-14    2
+ 3.46128739E+04 7.78732378E+00 3.21246645E+00 1.51479162E-03 2.59209412E-05    3
+-3.57657847E-08 1.47150873E-11 3.48598468E+04 8.51054025E+00                   4
+C2H4              L 1/91C   2H   4          G   200.000  3500.000  1000.000    1
+ 2.03611116E+00 1.46454151E-02-6.71077915E-06 1.47222923E-09-1.25706061E-13    2
+ 4.93988614E+03 1.03053693E+01 3.95920148E+00-7.57052247E-03 5.70990292E-05    3
+-6.91588753E-08 2.69884373E-11 5.08977593E+03 4.09733096E+00                   4
+C2H5              L12/92C   2H   5          G   200.000  3500.000  1000.000    1
+ 1.95465642E+00 1.73972722E-02-7.98206668E-06 1.75217689E-09-1.49641576E-13    2
+ 1.28575200E+04 1.34624343E+01 4.30646568E+00-4.18658892E-03 4.97142807E-05    3
+-5.99126606E-08 2.30509004E-11 1.28416265E+04 4.70720924E+00                   4
+C2H6              L 8/88C   2H   6          G   200.000  3500.000  1000.000    1
+ 1.07188150E+00 2.16852677E-02-1.00256067E-05 2.21412001E-09-1.90002890E-13    2
+-1.14263932E+04 1.51156107E+01 4.29142492E+00-5.50154270E-03 5.99438288E-05    3
+-7.08466285E-08 2.68685771E-11-1.15222055E+04 2.66682316E+00                   4
+CH2CO             L 5/90C   2H   2O   1     G   200.000  3500.000  1000.000    1
+ 4.51129732E+00 9.00359745E-03-4.16939635E-06 9.23345882E-10-7.94838201E-14    2
+-7.55105311E+03 6.32247205E-01 2.13583630E+00 1.81188721E-02-1.73947474E-05    3
+ 9.34397568E-09-2.01457615E-12-7.04291804E+03 1.22156480E+01                   4
+HCCO              SRIC91H   1C   2O   1     G   300.00   4000.00   1000.000    1
+ 0.56282058E+01 0.40853401E-02-0.15934547E-05 0.28626052E-09-0.19407832E-13    2
+ 0.19327215E+05-0.39302595E+01 0.22517214E+01 0.17655021E-01-0.23729101E-04    3
+ 0.17275759E-07-0.50664811E-11 0.20059449E+05 0.12490417E+02                   4
+HCCOH              SRI91C   2O   1H   2     G   300.000  5000.000  1000.000    1
+ 0.59238291E+01 0.67923600E-02-0.25658564E-05 0.44987841E-09-0.29940101E-13    2
+ 0.72646260E+04-0.76017742E+01 0.12423733E+01 0.31072201E-01-0.50866864E-04    3
+ 0.43137131E-07-0.14014594E-10 0.80316143E+04 0.13874319E+02                   4
+H2CN               41687H   2C   1N   1     G   300.00   4000.000  1000.000    1
+ 0.52097030E+01 0.29692911E-02-0.28555891E-06-0.16355500E-09 0.30432589E-13    2
+ 0.27677109E+05-0.44444780E+01 0.28516610E+01 0.56952331E-02 0.10711400E-05    3
+-0.16226120E-08-0.23511081E-12 0.28637820E+05 0.89927511E+01                   4
+HCN               GRI/98H   1C   1N   1     G   200.000  6000.000  1000.000    1
+ 0.38022392E+01 0.31464228E-02-0.10632185E-05 0.16619757E-09-0.97997570E-14    2
+ 0.14407292E+05 0.15754601E+01 0.22589886E+01 0.10051170E-01-0.13351763E-04    3
+ 0.10092349E-07-0.30089028E-11 0.14712633E+05 0.89164419E+01                   4
+HNO               And93 H   1N   1O   1     G   200.000  6000.000  1000.000    1
+ 0.29792509E+01 0.34944059E-02-0.78549778E-06 0.57479594E-10-0.19335916E-15    2
+ 0.11750582E+05 0.86063728E+01 0.45334916E+01-0.56696171E-02 0.18473207E-04    3
+-0.17137094E-07 0.55454573E-11 0.11548297E+05 0.17498417E+01                   4
+N                 L 6/88N   1               G   200.000  6000.000  1000.000    1
+ 0.24159429E+01 0.17489065E-03-0.11902369E-06 0.30226245E-10-0.20360982E-14    2
+ 0.56133773E+05 0.46496096E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00    3
+ 0.00000000E+00 0.00000000E+00 0.56104637E+05 0.41939087E+01                   4
+NNH               T07/93N   2H   1          G   200.000  6000.000  1000.000    1
+ 0.37667544E+01 0.28915082E-02-0.10416620E-05 0.16842594E-09-0.10091896E-13    2
+ 0.28650697E+05 0.44705067E+01 0.43446927E+01-0.48497072E-02 0.20059459E-04    3
+-0.21726464E-07 0.79469539E-11 0.28791973E+05 0.29779410E+01                   4
+N2O               L 7/88N   2O   1          G   200.000  6000.000  1000.000    1
+ 0.48230729E+01 0.26270251E-02-0.95850874E-06 0.16000712E-09-0.97752303E-14    2
+ 0.80734048E+04-0.22017207E+01 0.22571502E+01 0.11304728E-01-0.13671319E-04    3
+ 0.96819806E-08-0.29307182E-11 0.87417744E+04 0.10757992E+02                   4
+NH                And94 N   1H   1          G   200.000  6000.000  1000.000    1
+ 0.27836928E+01 0.13298430E-02-0.42478047E-06 0.78348501E-10-0.55044470E-14    2
+ 0.42120848E+05 0.57407799E+01 0.34929085E+01 0.31179198E-03-0.14890484E-05    3
+ 0.24816442E-08-0.10356967E-11 0.41880629E+05 0.18483278E+01                   4
+NH2               And89 N   1H   2          G   200.000  6000.000  1000.000    1
+ 0.28347421E+01 0.32073082E-02-0.93390804E-06 0.13702953E-09-0.79206144E-14    2
+ 0.22171957E+05 0.65204163E+01 0.42040029E+01-0.21061385E-02 0.71068348E-05    3
+-0.56115197E-08 0.16440717E-11 0.21885910E+05-0.14184248E+00                   4
+NH3               J 6/77N   1H   3          G   200.000  6000.000  1000.000    1
+ 0.26344521E+01 0.56662560E-02-0.17278676E-05 0.23867161E-09-0.12578786E-13    2
+-0.65446958E+04 0.65662928E+01 0.42860274E+01-0.46605230E-02 0.21718513E-04    3
+-0.22808887E-07 0.82638046E-11-0.67417285E+04-0.62537277E+00                   4
+NO                RUS 78N   1O   1          G   200.000  6000.000  1000.000    1
+ 0.32606056E+01 0.11911043E-02-0.42917048E-06 0.69457669E-10-0.40336099E-14    2
+ 0.99209746E+04 0.63693027E+01 0.42184763E+01-0.46389760E-02 0.11041022E-04    3
+-0.93361354E-08 0.28035770E-11 0.98446230E+04 0.22808464E+01                   4
+NO2               L 7/88N   1O   2          G   200.000  6000.000  1000.000    1
+ 0.48847542E+01 0.21723956E-02-0.82806906E-06 0.15747510E-09-0.10510895E-13    2
+ 0.23164983E+04-0.11741695E+00 0.39440312E+01-0.15854290E-02 0.16657812E-04    3
+-0.20475426E-07 0.78350564E-11 0.28966179E+04 0.63119917E+01                   4
+HCNO              BDEA94H   1N   1C   1O   1G   300.000  5000.000  1382.000    1
+ 6.59860456E+00 3.02778626E-03-1.07704346E-06 1.71666528E-10-1.01439391E-14    2
+ 1.79661339E+04-1.03306599E+01 2.64727989E+00 1.27505342E-02-1.04794236E-05    3
+ 4.41432836E-09-7.57521466E-13 1.92990252E+04 1.07332972E+01                   4
+HOCN              BDEA94H   1N   1C   1O   1G   300.000  5000.000  1368.000    1
+ 5.89784885E+00 3.16789393E-03-1.11801064E-06 1.77243144E-10-1.04339177E-14    2
+-3.70653331E+03-6.18167825E+00 3.78604952E+00 6.88667922E-03-3.21487864E-06    3
+ 5.17195767E-10 1.19360788E-14-2.82698400E+03 5.63292162E+00                   4
+HNCO              BDEA94H   1N   1C   1O   1G   300.000  5000.000  1478.000    1
+ 6.22395134E+00 3.17864004E-03-1.09378755E-06 1.70735163E-10-9.95021955E-15    2
+-1.66599344E+04-8.38224741E+00 3.63096317E+00 7.30282357E-03-2.28050003E-06    3
+-6.61271298E-10 3.62235752E-13-1.55873636E+04 6.19457727E+00                   4
+NCO               EA 93 N   1C   1O   1     G   200.000  6000.000  1000.000    1
+ 0.51521845E+01 0.23051761E-02-0.88033153E-06 0.14789098E-09-0.90977996E-14    2
+ 0.14004123E+05-0.25442660E+01 0.28269308E+01 0.88051688E-02-0.83866134E-05    3
+ 0.48016964E-08-0.13313595E-11 0.14682477E+05 0.95504646E+01                   4
+CN                HBH92 C   1N   1          G   200.000  6000.000  1000.000    1
+ 0.37459805E+01 0.43450775E-04 0.29705984E-06-0.68651806E-10 0.44134173E-14    2
+ 0.51536188E+05 0.27867601E+01 0.36129351E+01-0.95551327E-03 0.21442977E-05    3
+-0.31516323E-09-0.46430356E-12 0.51708340E+05 0.39804995E+01                   4
+HCNN              SRI/94C   1N   2H   1     G   300.000  5000.000  1000.000    1
+ 0.58946362E+01 0.39895959E-02-0.15982380E-05 0.29249395E-09-0.20094686E-13    2
+ 0.53452941E+05-0.51030502E+01 0.25243194E+01 0.15960619E-01-0.18816354E-04    3
+ 0.12125540E-07-0.32357378E-11 0.54261984E+05 0.11675870E+02                   4
+N2                121286N   2               G   300.000  5000.000  1000.000    1
+ 0.02926640E+02 0.14879768E-02-0.05684760E-05 0.10097038E-09-0.06753351E-13    2
+-0.09227977E+04 0.05980528E+02 0.03298677E+02 0.14082404E-02-0.03963222E-04    3
+ 0.05641515E-07-0.02444854E-10-0.10208999E+04 0.03950372E+02                   4
+AR                120186AR  1               G   300.000  5000.000  1000.000    1
+ 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00    2
+-0.07453750E+04 0.04366000E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00    3
+ 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366000E+02                   4
+C3H8              L 4/85C   3H   8          G   300.000  5000.000  1000.000    1
+ 0.75341368E+01 0.18872239E-01-0.62718491E-05 0.91475649E-09-0.47838069E-13    2
+-0.16467516E+05-0.17892349E+02 0.93355381E+00 0.26424579E-01 0.61059727E-05    3
+-0.21977499E-07 0.95149253E-11-0.13958520E+05 0.19201691E+02                   4
+C3H7              L 9/84C   3H   7          G   300.000  5000.000  1000.000    1
+ 0.77026987E+01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13    2
+ 0.82984336E+04-0.15480180E+02 0.10515518E+01 0.25991980E-01 0.23800540E-05    3
+-0.19609569E-07 0.93732470E-11 0.10631863E+05 0.21122559E+02                   4
+CH3CHO            L 8/88C   2H   4O   1     G   200.000  6000.000  1000.000    1
+ 0.54041108E+01 0.11723059E-01-0.42263137E-05 0.68372451E-09-0.40984863E-13    2
+-0.22593122E+05-0.34807917E+01 0.47294595E+01-0.31932858E-02 0.47534921E-04    3
+-0.57458611E-07 0.21931112E-10-0.21572878E+05 0.41030159E+01                   4
+CH2CHO            SAND86O   1H   3C   2     G   300.000  5000.000  1000.000    1
+ 0.05975670E+02 0.08130591E-01-0.02743624E-04 0.04070304E-08-0.02176017E-12    2
+ 0.04903218E+04-0.05045251E+02 0.03409062E+02 0.10738574E-01 0.01891492E-04    3
+-0.07158583E-07 0.02867385E-10 0.15214766E+04 0.09558290E+02                   4
+END
+
+
+
+
--- a/constant/gri/bugfix.dat
+++ b/constant/gri/bugfix.dat
@ -0,0 +1,93 @@
+       BUGFIXES  FOR  GRI-Mech VERSION 3.0
+       ===================================
+
+Bug No. 5.  (discovered by Marc Rumminger.) 8/4/99
+=========
+Bug: Element count lines in thermodynamics data have '0' as placeholders.
+
+Effect: Chemkin III interpreter searches for the element '0' and gives
+error message.  Mechanism won't be processed.  No error for Chemkin II.
+
+Fix: Zeroes have been removed from thermo30.dat file.
+
+       BUGFIXES  FOR  GRI-Mech VERSION 1.1,1.2,2.1
+       ===========================================
+
+Bug No. 4. (Discovered by V.M. Zamansky.) 11/2/95
+========= 
+Bug: Reactions 277 and 278 (NH3 + H = NH2 + H2 and NH3 + OH =
+NH2 + H2O) have negative values for E in the first release of
+GRI-Mech 2.1, which are incorrect. They should be positive.
+
+Effect of the error:
+
+Only reaction 277 has a significantly large value of E, and the
+ammonia kinetics is peripheral to the chemistry the mechanism is
+intended to model.  Recalculation of all targets and validation
+experiments has been done with GRI-Mech 2.11 (completed Nov. 21,
+1995).  No significant changes from the results obtained using
+GRI-Mech 2.1 were found.
+
+Fix:
+
+Use the revised mechanism GRI-Mech 2.11, which replaced the
+previous version on Nov. 3, 1995.  This makes E(277) = +9915.
+kcal/mole/K and E(278) = +955. kcal/mole/K.
+
+----------------------------------------------------------------
+
+Bug No. 3. (Discovered by David Underwood) 10/19/95
+========= 
+Bug: Reactions 204 and 205 (NNH --> N2 + H and NNH + M --> N2 + H + M
+are not accepted by Chemkin.  
+
+Cause:
+
+Chemkin notices that "M" is included on both sides of 205 and thus
+some versions of the code consider the two reactions to be the same.
+See Bug No. 1.
+
+Fix:
+
+Each of these 2 reaction records must be followed by a single
+line containing the word "DUPLICATE" in order for this pair
+of reactions to be accepted.
+
+----------------------------------------------------------------
+
+Bug No. 2. (Discovered by V.M. Zamansky.)  1/95
+=========
+
+Bug: 
+
+Chemkin refuses to accept the thermo.all file, returning the
+error message "NO TLO, TMID, THIGH GIVEN FOR THERMO.ALL", at
+least on the "PC" version of Chemkin.
+
+Cause:
+
+The 3 comment lines at the head of the thermo data file are not
+recognized as such by all versions of Chemkin, in particular
+by the "PC" version.
+
+Fix: Remove the first three lines.
+
+----------------------------------------------------------------
+
+Bug No. 1. (Discovered by V.M. Zamansky.)  1/95
+========= 
+Bug: Reactions 166 and 167 (HCO + H20 --> H + CO + H2O and HCO + M --> H
+ + CO + M) are not accepted by Chemkin.  
+
+Cause:
+
+Chemkin notices that H2O is included in "M" and rejects
+the duplication, at least in the "PC" version of Chemkin.
+
+Fix:
+
+Each of these 2 reaction records must be followed by a single
+line containing the word "DUPLICATE" in order for this pair
+of reactions to be accepted.
+
+
--- a/constant/gri/grimech30.cti
+++ b/constant/gri/grimech30.cti
--- a/constant/gri/grimech30.dat
+++ b/constant/gri/grimech30.dat
@ -0,0 +1,452 @@
+! GRI-Mech Version 3.0 7/30/99  CHEMKIN-II format
+! See README30 file at anonymous FTP site unix.sri.com, directory gri;
+! WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or
+! through http://www.gri.org , under 'Basic  Research', 
+! for additional information, contacts, and disclaimer
+ELEMENTS
+O  H  C  N  AR  E
+END
+SPECIES
+H2      H       O       O2      OH      H2O     HO2     H2O2    
+C       CH      CH2     CH2(S)  CH3     CH4     CO      CO2     
+HCO     CH2O    CH2OH   CH3O    CH3OH   C2H     C2H2    C2H3    
+C2H4    C2H5    C2H6    HCCO    CH2CO   HCCOH   N       NH      
+NH2     NH3     NNH     NO      NO2     N2O     HNO     CN      
+HCN     H2CN    HCNN    HCNO    HOCN    HNCO    NCO     N2      
+AR      C3H7    C3H8    CH2CHO  CH3CHO  HCO()   H3O()   E-
+END
+!THERMO
+! Insert GRI-Mech thermodynamics here or use in default file
+!END
+REACTIONS
+2O+M<=>O2+M                              1.200E+17   -1.000        .00
+H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/  .83/ 
+O+H+M<=>OH+M                             5.000E+17   -1.000        .00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+H2<=>H+OH                              3.870E+04    2.700    6260.00
+O+HO2<=>OH+O2                            2.000E+13     .000        .00
+O+H2O2<=>OH+HO2                          9.630E+06    2.000    4000.00
+O+CH<=>H+CO                              5.700E+13     .000        .00
+O+CH2<=>H+HCO                            8.000E+13     .000        .00
+O+CH2(S)<=>H2+CO                         1.500E+13     .000        .00
+O+CH2(S)<=>H+HCO                         1.500E+13     .000        .00
+O+CH3<=>H+CH2O                           5.060E+13     .000        .00
+O+CH4<=>OH+CH3                           1.020E+09    1.500    8600.00
+O+CO(+M)<=>CO2(+M)                       1.800E+10     .000    2385.00
+   LOW/ 6.020E+14     .000    3000.00/
+H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/ .50/ 
+O+HCO<=>OH+CO                            3.000E+13     .000        .00
+O+HCO<=>H+CO2                            3.000E+13     .000        .00
+O+CH2O<=>OH+HCO                          3.900E+13     .000    3540.00
+O+CH2OH<=>OH+CH2O                        1.000E+13     .000        .00
+O+CH3O<=>OH+CH2O                         1.000E+13     .000        .00
+O+CH3OH<=>OH+CH2OH                       3.880E+05    2.500    3100.00
+O+CH3OH<=>OH+CH3O                        1.300E+05    2.500    5000.00
+O+C2H<=>CH+CO                            5.000E+13     .000        .00
+O+C2H2<=>H+HCCO                          1.350E+07    2.000    1900.00
+O+C2H2<=>OH+C2H                          4.600E+19   -1.410   28950.00
+O+C2H2<=>CO+CH2                          6.940E+06    2.000    1900.00
+O+C2H3<=>H+CH2CO                         3.000E+13     .000        .00
+O+C2H4<=>CH3+HCO                         1.250E+07    1.830     220.00
+O+C2H5<=>CH3+CH2O                        2.240E+13     .000        .00
+O+C2H6<=>OH+C2H5                         8.980E+07    1.920    5690.00
+O+HCCO<=>H+2CO                           1.000E+14     .000        .00
+O+CH2CO<=>OH+HCCO                        1.000E+13     .000    8000.00
+O+CH2CO<=>CH2+CO2                        1.750E+12     .000    1350.00
+O2+CO<=>O+CO2                            2.500E+12     .000   47800.00
+O2+CH2O<=>HO2+HCO                        1.000E+14     .000   40000.00
+H+O2+M<=>HO2+M                           2.800E+18    -.860        .00
+O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/ AR/ .00/ 
+H+2O2<=>HO2+O2                           2.080E+19   -1.240        .00
+H+O2+H2O<=>HO2+H2O                       11.26E+18    -.760        .00
+H+O2+N2<=>HO2+N2                         2.600E+19   -1.240        .00
+H+O2+AR<=>HO2+AR                         7.000E+17    -.800        .00
+H+O2<=>O+OH                              2.650E+16    -.6707  17041.00
+2H+M<=>H2+M                              1.000E+18   -1.000        .00
+H2/ .00/ H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ AR/ .63/ 
+2H+H2<=>2H2                              9.000E+16    -.600        .00
+2H+H2O<=>H2+H2O                          6.000E+19   -1.250        .00
+2H+CO2<=>H2+CO2                          5.500E+20   -2.000        .00
+H+OH+M<=>H2O+M                           2.200E+22   -2.000        .00
+H2/ .73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/ .38/ 
+H+HO2<=>O+H2O                            3.970E+12     .000     671.00
+H+HO2<=>O2+H2                            4.480E+13     .000    1068.00
+H+HO2<=>2OH                              0.840E+14     .000     635.00
+H+H2O2<=>HO2+H2                          1.210E+07    2.000    5200.00
+H+H2O2<=>OH+H2O                          1.000E+13     .000    3600.00
+H+CH<=>C+H2                              1.650E+14     .000        .00
+H+CH2(+M)<=>CH3(+M)                      6.000E+14     .000        .00
+     LOW  /  1.040E+26   -2.760   1600.00/
+     TROE/   .5620  91.00  5836.00  8552.00/
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+CH2(S)<=>CH+H2                         3.000E+13     .000        .00
+H+CH3(+M)<=>CH4(+M)                      13.90E+15    -.534     536.00
+     LOW  /  2.620E+33   -4.760   2440.00/
+     TROE/   .7830   74.00  2941.00  6964.00 /
+H2/2.00/ H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+CH4<=>CH3+H2                           6.600E+08    1.620   10840.00
+H+HCO(+M)<=>CH2O(+M)                     1.090E+12     .480    -260.00
+     LOW  /  2.470E+24   -2.570    425.00/
+     TROE/   .7824  271.00  2755.00  6570.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+HCO<=>H2+CO                            7.340E+13     .000        .00
+H+CH2O(+M)<=>CH2OH(+M)                   5.400E+11     .454    3600.00
+     LOW  /  1.270E+32   -4.820   6530.00/
+     TROE/   .7187  103.00  1291.00  4160.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH2O(+M)<=>CH3O(+M)                    5.400E+11     .454    2600.00
+     LOW  /  2.200E+30   -4.800   5560.00/
+     TROE/   .7580   94.00  1555.00  4200.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH2O<=>HCO+H2                          5.740E+07    1.900    2742.00
+H+CH2OH(+M)<=>CH3OH(+M)                  1.055E+12     .500      86.00
+     LOW  /  4.360E+31   -4.650   5080.00/
+     TROE/   .600  100.00  90000.0  10000.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH2OH<=>H2+CH2O                        2.000E+13     .000        .00
+H+CH2OH<=>OH+CH3                         1.650E+11     .650    -284.00
+H+CH2OH<=>CH2(S)+H2O                     3.280E+13    -.090     610.00
+H+CH3O(+M)<=>CH3OH(+M)                   2.430E+12     .515      50.00
+     LOW  /  4.660E+41   -7.440   14080.0/
+     TROE/   .700  100.00  90000.0 10000.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH3O<=>H+CH2OH                         4.150E+07    1.630    1924.00
+H+CH3O<=>H2+CH2O                         2.000E+13     .000        .00
+H+CH3O<=>OH+CH3                          1.500E+12     .500    -110.00
+H+CH3O<=>CH2(S)+H2O                      2.620E+14    -.230    1070.00
+H+CH3OH<=>CH2OH+H2                       1.700E+07    2.100    4870.00
+H+CH3OH<=>CH3O+H2                        4.200E+06    2.100    4870.00
+H+C2H(+M)<=>C2H2(+M)                     1.000E+17   -1.000        .00
+     LOW  /  3.750E+33   -4.800   1900.00/
+     TROE/   .6464  132.00  1315.00  5566.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H2(+M)<=>C2H3(+M)                    5.600E+12     .000    2400.00
+     LOW  /  3.800E+40   -7.270   7220.00/
+     TROE/   .7507   98.50  1302.00  4167.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H3(+M)<=>C2H4(+M)                    6.080E+12     .270     280.00
+     LOW  /  1.400E+30   -3.860   3320.00/
+     TROE/   .7820  207.50  2663.00  6095.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H3<=>H2+C2H2                         3.000E+13     .000        .00
+H+C2H4(+M)<=>C2H5(+M)                    0.540E+12     .454    1820.00
+     LOW  /  0.600E+42   -7.620   6970.00/
+     TROE/   .9753  210.00   984.00  4374.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H4<=>C2H3+H2                         1.325E+06    2.530   12240.00
+H+C2H5(+M)<=>C2H6(+M)                    5.210E+17    -.990    1580.00
+     LOW  /  1.990E+41   -7.080   6685.00/
+     TROE/   .8422  125.00  2219.00  6882.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H5<=>H2+C2H4                         2.000E+12     .000        .00
+H+C2H6<=>C2H5+H2                         1.150E+08    1.900    7530.00
+H+HCCO<=>CH2(S)+CO                       1.000E+14     .000        .00
+H+CH2CO<=>HCCO+H2                        5.000E+13     .000    8000.00
+H+CH2CO<=>CH3+CO                         1.130E+13     .000    3428.00
+H+HCCOH<=>H+CH2CO                        1.000E+13     .000        .00
+H2+CO(+M)<=>CH2O(+M)                     4.300E+07    1.500   79600.00
+     LOW  /  5.070E+27   -3.420  84350.00/
+     TROE/   .9320  197.00  1540.00 10300.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+OH+H2<=>H+H2O                            2.160E+08    1.510    3430.00
+2OH(+M)<=>H2O2(+M)                       7.400E+13    -.370        .00
+     LOW  /  2.300E+18    -.900  -1700.00/
+     TROE/   .7346   94.00  1756.00  5182.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+2OH<=>O+H2O                              3.570E+04    2.400   -2110.00
+OH+HO2<=>O2+H2O                          1.450E+13     .000    -500.00
+ DUPLICATE
+OH+H2O2<=>HO2+H2O                        2.000E+12     .000     427.00
+ DUPLICATE
+OH+H2O2<=>HO2+H2O                        1.700E+18     .000   29410.00
+ DUPLICATE
+OH+C<=>H+CO                              5.000E+13     .000        .00
+OH+CH<=>H+HCO                            3.000E+13     .000        .00
+OH+CH2<=>H+CH2O                          2.000E+13     .000        .00
+OH+CH2<=>CH+H2O                          1.130E+07    2.000    3000.00
+OH+CH2(S)<=>H+CH2O                       3.000E+13     .000        .00
+OH+CH3(+M)<=>CH3OH(+M)                   2.790E+18   -1.430    1330.00
+     LOW  /  4.000E+36   -5.920   3140.00/
+     TROE/   .4120  195.0  5900.00  6394.00/ 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+OH+CH3<=>CH2+H2O                         5.600E+07    1.600    5420.00
+OH+CH3<=>CH2(S)+H2O                      6.440E+17   -1.340    1417.00
+OH+CH4<=>CH3+H2O                         1.000E+08    1.600    3120.00
+OH+CO<=>H+CO2                            4.760E+07    1.228      70.00
+OH+HCO<=>H2O+CO                          5.000E+13     .000        .00
+OH+CH2O<=>HCO+H2O                        3.430E+09    1.180    -447.00
+OH+CH2OH<=>H2O+CH2O                      5.000E+12     .000        .00
+OH+CH3O<=>H2O+CH2O                       5.000E+12     .000        .00
+OH+CH3OH<=>CH2OH+H2O                     1.440E+06    2.000    -840.00
+OH+CH3OH<=>CH3O+H2O                      6.300E+06    2.000    1500.00
+OH+C2H<=>H+HCCO                          2.000E+13     .000        .00
+OH+C2H2<=>H+CH2CO                        2.180E-04    4.500   -1000.00
+OH+C2H2<=>H+HCCOH                        5.040E+05    2.300   13500.00
+OH+C2H2<=>C2H+H2O                        3.370E+07    2.000   14000.00
+OH+C2H2<=>CH3+CO                         4.830E-04    4.000   -2000.00
+OH+C2H3<=>H2O+C2H2                       5.000E+12     .000        .00
+OH+C2H4<=>C2H3+H2O                       3.600E+06    2.000    2500.00
+OH+C2H6<=>C2H5+H2O                       3.540E+06    2.120     870.00
+OH+CH2CO<=>HCCO+H2O                      7.500E+12     .000    2000.00
+2HO2<=>O2+H2O2                           1.300E+11     .000   -1630.00
+ DUPLICATE
+2HO2<=>O2+H2O2                           4.200E+14     .000   12000.00
+ DUPLICATE
+HO2+CH2<=>OH+CH2O                        2.000E+13     .000        .00
+HO2+CH3<=>O2+CH4                         1.000E+12     .000        .00
+HO2+CH3<=>OH+CH3O                        3.780E+13     .000        .00
+HO2+CO<=>OH+CO2                          1.500E+14     .000   23600.00
+HO2+CH2O<=>HCO+H2O2                      5.600E+06    2.000   12000.00
+C+O2<=>O+CO                              5.800E+13     .000     576.00
+C+CH2<=>H+C2H                            5.000E+13     .000        .00
+C+CH3<=>H+C2H2                           5.000E+13     .000        .00
+CH+O2<=>O+HCO                            6.710E+13     .000        .00
+CH+H2<=>H+CH2                            1.080E+14     .000    3110.00
+CH+H2O<=>H+CH2O                          5.710E+12     .000    -755.00
+CH+CH2<=>H+C2H2                          4.000E+13     .000        .00
+CH+CH3<=>H+C2H3                          3.000E+13     .000        .00
+CH+CH4<=>H+C2H4                          6.000E+13     .000        .00
+CH+CO(+M)<=>HCCO(+M)                     5.000E+13     .000        .00
+     LOW  /  2.690E+28   -3.740   1936.00/
+     TROE/   .5757  237.00  1652.00  5069.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+CH+CO2<=>HCO+CO                          1.900E+14     .000   15792.00
+CH+CH2O<=>H+CH2CO                        9.460E+13     .000    -515.00
+CH+HCCO<=>CO+C2H2                        5.000E+13     .000        .00
+CH2+O2=>OH+H+CO                          5.000E+12     .000    1500.00
+CH2+H2<=>H+CH3                           5.000E+05    2.000    7230.00
+2CH2<=>H2+C2H2                           1.600E+15     .000   11944.00
+CH2+CH3<=>H+C2H4                         4.000E+13     .000        .00
+CH2+CH4<=>2CH3                           2.460E+06    2.000    8270.00
+CH2+CO(+M)<=>CH2CO(+M)                   8.100E+11     .500    4510.00
+     LOW  /  2.690E+33   -5.110   7095.00/
+     TROE/   .5907  275.00  1226.00  5185.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+CH2+HCCO<=>C2H3+CO                       3.000E+13     .000        .00
+CH2(S)+N2<=>CH2+N2                       1.500E+13     .000     600.00
+CH2(S)+AR<=>CH2+AR                       9.000E+12     .000     600.00
+CH2(S)+O2<=>H+OH+CO                      2.800E+13     .000        .00
+CH2(S)+O2<=>CO+H2O                       1.200E+13     .000        .00
+CH2(S)+H2<=>CH3+H                        7.000E+13     .000        .00
+CH2(S)+H2O(+M)<=>CH3OH(+M)               4.820E+17   -1.160    1145.00
+     LOW  /  1.880E+38   -6.360   5040.00/
+     TROE/   .6027  208.00  3922.00  10180.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+CH2(S)+H2O<=>CH2+H2O                     3.000E+13     .000        .00
+CH2(S)+CH3<=>H+C2H4                      1.200E+13     .000    -570.00
+CH2(S)+CH4<=>2CH3                        1.600E+13     .000    -570.00
+CH2(S)+CO<=>CH2+CO                       9.000E+12     .000        .00
+CH2(S)+CO2<=>CH2+CO2                     7.000E+12     .000        .00
+CH2(S)+CO2<=>CO+CH2O                     1.400E+13     .000        .00
+CH2(S)+C2H6<=>CH3+C2H5                   4.000E+13     .000    -550.00
+CH3+O2<=>O+CH3O                          3.560E+13     .000   30480.00
+CH3+O2<=>OH+CH2O                         2.310E+12     .000   20315.00
+CH3+H2O2<=>HO2+CH4                       2.450E+04    2.470    5180.00
+2CH3(+M)<=>C2H6(+M)                      6.770E+16   -1.180     654.00
+     LOW  /  3.400E+41   -7.030   2762.00/
+     TROE/   .6190  73.20  1180.00  9999.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+2CH3<=>H+C2H5                            6.840E+12     .100   10600.00
+CH3+HCO<=>CH4+CO                         2.648E+13     .000        .00
+CH3+CH2O<=>HCO+CH4                       3.320E+03    2.810    5860.00
+CH3+CH3OH<=>CH2OH+CH4                    3.000E+07    1.500    9940.00
+CH3+CH3OH<=>CH3O+CH4                     1.000E+07    1.500    9940.00
+CH3+C2H4<=>C2H3+CH4                      2.270E+05    2.000    9200.00
+CH3+C2H6<=>C2H5+CH4                      6.140E+06    1.740   10450.00
+HCO+H2O<=>H+CO+H2O                       1.500E+18   -1.000   17000.00
+HCO+M<=>H+CO+M                           1.870E+17   -1.000   17000.00
+H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+HCO+O2<=>HO2+CO                          13.45E+12     .000     400.00
+CH2OH+O2<=>HO2+CH2O                      1.800E+13     .000     900.00
+CH3O+O2<=>HO2+CH2O                       4.280E-13    7.600   -3530.00
+C2H+O2<=>HCO+CO                          1.000E+13     .000    -755.00
+C2H+H2<=>H+C2H2                          5.680E+10    0.900    1993.00
+C2H3+O2<=>HCO+CH2O                       4.580E+16   -1.390    1015.00
+C2H4(+M)<=>H2+C2H2(+M)                   8.000E+12     .440   86770.00
+     LOW  /  1.580E+51   -9.300  97800.00/
+     TROE/   .7345  180.00  1035.00  5417.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+C2H5+O2<=>HO2+C2H4                       8.400E+11     .000    3875.00
+HCCO+O2<=>OH+2CO                         3.200E+12     .000     854.00
+2HCCO<=>2CO+C2H2                         1.000E+13     .000        .00
+N+NO<=>N2+O                              2.700E+13     .000     355.00
+N+O2<=>NO+O                              9.000E+09    1.000    6500.00
+N+OH<=>NO+H                              3.360E+13     .000     385.00
+N2O+O<=>N2+O2                            1.400E+12     .000   10810.00
+N2O+O<=>2NO                              2.900E+13     .000   23150.00
+N2O+H<=>N2+OH                            3.870E+14     .000   18880.00
+N2O+OH<=>N2+HO2                          2.000E+12     .000   21060.00
+N2O(+M)<=>N2+O(+M)                       7.910E+10     .000   56020.00
+     LOW  /  6.370E+14     .000  56640.00/
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .625/ 
+HO2+NO<=>NO2+OH                          2.110E+12     .000    -480.00
+NO+O+M<=>NO2+M                           1.060E+20   -1.410        .00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+NO2+O<=>NO+O2                            3.900E+12     .000    -240.00
+NO2+H<=>NO+OH                            1.320E+14     .000     360.00
+NH+O<=>NO+H                              4.000E+13     .000        .00
+NH+H<=>N+H2                              3.200E+13     .000     330.00
+NH+OH<=>HNO+H                            2.000E+13     .000        .00
+NH+OH<=>N+H2O                            2.000E+09    1.200        .00
+NH+O2<=>HNO+O                            4.610E+05    2.000    6500.00
+NH+O2<=>NO+OH                            1.280E+06    1.500     100.00
+NH+N<=>N2+H                              1.500E+13     .000        .00
+NH+H2O<=>HNO+H2                          2.000E+13     .000   13850.00
+NH+NO<=>N2+OH                            2.160E+13    -.230        .00
+NH+NO<=>N2O+H                            3.650E+14    -.450        .00
+NH2+O<=>OH+NH                            3.000E+12     .000        .00
+NH2+O<=>H+HNO                            3.900E+13     .000        .00
+NH2+H<=>NH+H2                            4.000E+13     .000    3650.00
+NH2+OH<=>NH+H2O                          9.000E+07    1.500    -460.00
+NNH<=>N2+H                               3.300E+08     .000        .00
+NNH+M<=>N2+H+M                           1.300E+14    -.110    4980.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+NNH+O2<=>HO2+N2                          5.000E+12     .000        .00
+NNH+O<=>OH+N2                            2.500E+13     .000        .00
+NNH+O<=>NH+NO                            7.000E+13     .000        .00
+NNH+H<=>H2+N2                            5.000E+13     .000        .00
+NNH+OH<=>H2O+N2                          2.000E+13     .000        .00
+NNH+CH3<=>CH4+N2                         2.500E+13     .000        .00
+H+NO+M<=>HNO+M                           4.480E+19   -1.320     740.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+HNO+O<=>NO+OH                            2.500E+13     .000        .00
+HNO+H<=>H2+NO                            9.000E+11     .720     660.00
+HNO+OH<=>NO+H2O                          1.300E+07    1.900    -950.00
+HNO+O2<=>HO2+NO                          1.000E+13     .000   13000.00
+CN+O<=>CO+N                              7.700E+13     .000        .00
+CN+OH<=>NCO+H                            4.000E+13     .000        .00
+CN+H2O<=>HCN+OH                          8.000E+12     .000    7460.00
+CN+O2<=>NCO+O                            6.140E+12     .000    -440.00
+CN+H2<=>HCN+H                            2.950E+05    2.450    2240.00
+NCO+O<=>NO+CO                            2.350E+13     .000        .00
+NCO+H<=>NH+CO                            5.400E+13     .000        .00
+NCO+OH<=>NO+H+CO                         0.250E+13     .000        .00
+NCO+N<=>N2+CO                            2.000E+13     .000        .00
+NCO+O2<=>NO+CO2                          2.000E+12     .000   20000.00
+NCO+M<=>N+CO+M                           3.100E+14     .000   54050.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+NCO+NO<=>N2O+CO                          1.900E+17   -1.520     740.00
+NCO+NO<=>N2+CO2                          3.800E+18   -2.000     800.00
+HCN+M<=>H+CN+M                           1.040E+29   -3.300  126600.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+HCN+O<=>NCO+H                            2.030E+04    2.640    4980.00
+HCN+O<=>NH+CO                            5.070E+03    2.640    4980.00
+HCN+O<=>CN+OH                            3.910E+09    1.580   26600.00
+HCN+OH<=>HOCN+H                          1.100E+06    2.030   13370.00
+HCN+OH<=>HNCO+H                          4.400E+03    2.260    6400.00
+HCN+OH<=>NH2+CO                          1.600E+02    2.560    9000.00
+H+HCN(+M)<=>H2CN(+M)                     3.300E+13     .000        .00
+      LOW /  1.400E+26   -3.400    1900.00/
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H2CN+N<=>N2+CH2                          6.000E+13     .000     400.00
+C+N2<=>CN+N                              6.300E+13     .000   46020.00
+CH+N2<=>HCN+N                            3.120E+09    0.880   20130.00
+CH+N2(+M)<=>HCNN(+M)                     3.100E+12     .150        .00
+     LOW  /  1.300E+25   -3.160    740.00/
+     TROE/   .6670  235.00  2117.00  4536.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ 1.0/ 
+CH2+N2<=>HCN+NH                          1.000E+13     .000   74000.00
+CH2(S)+N2<=>NH+HCN                       1.000E+11     .000   65000.00
+C+NO<=>CN+O                              1.900E+13     .000        .00
+C+NO<=>CO+N                              2.900E+13     .000        .00
+CH+NO<=>HCN+O                            4.100E+13     .000        .00
+CH+NO<=>H+NCO                            1.620E+13     .000        .00
+CH+NO<=>N+HCO                            2.460E+13     .000        .00
+CH2+NO<=>H+HNCO                          3.100E+17   -1.380    1270.00
+CH2+NO<=>OH+HCN                          2.900E+14    -.690     760.00
+CH2+NO<=>H+HCNO                          3.800E+13    -.360     580.00
+CH2(S)+NO<=>H+HNCO                       3.100E+17   -1.380    1270.00
+CH2(S)+NO<=>OH+HCN                       2.900E+14    -.690     760.00
+CH2(S)+NO<=>H+HCNO                       3.800E+13    -.360     580.00
+CH3+NO<=>HCN+H2O                         9.600E+13     .000   28800.00
+CH3+NO<=>H2CN+OH                         1.000E+12     .000   21750.00
+HCNN+O<=>CO+H+N2                         2.200E+13     .000        .00
+HCNN+O<=>HCN+NO                          2.000E+12     .000        .00
+HCNN+O2<=>O+HCO+N2                       1.200E+13     .000        .00
+HCNN+OH<=>H+HCO+N2                       1.200E+13     .000        .00
+HCNN+H<=>CH2+N2                          1.000E+14     .000        .00
+HNCO+O<=>NH+CO2                          9.800E+07    1.410    8500.00
+HNCO+O<=>HNO+CO                          1.500E+08    1.570   44000.00
+HNCO+O<=>NCO+OH                          2.200E+06    2.110   11400.00
+HNCO+H<=>NH2+CO                          2.250E+07    1.700    3800.00
+HNCO+H<=>H2+NCO                          1.050E+05    2.500   13300.00
+HNCO+OH<=>NCO+H2O                        3.300E+07    1.500    3600.00
+HNCO+OH<=>NH2+CO2                        3.300E+06    1.500    3600.00
+HNCO+M<=>NH+CO+M                         1.180E+16     .000   84720.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+HCNO+H<=>H+HNCO                          2.100E+15    -.690    2850.00
+HCNO+H<=>OH+HCN                          2.700E+11     .180    2120.00
+HCNO+H<=>NH2+CO                          1.700E+14    -.750    2890.00
+HOCN+H<=>H+HNCO                          2.000E+07    2.000    2000.00
+HCCO+NO<=>HCNO+CO                        0.900E+13     .000        .00
+CH3+N<=>H2CN+H                           6.100E+14    -.310     290.00
+CH3+N<=>HCN+H2                           3.700E+12     .150     -90.00
+NH3+H<=>NH2+H2                           5.400E+05    2.400    9915.00
+NH3+OH<=>NH2+H2O                         5.000E+07    1.600     955.00
+NH3+O<=>NH2+OH                           9.400E+06    1.940    6460.00
+NH+CO2<=>HNO+CO                          1.000E+13     .000   14350.00
+CN+NO2<=>NCO+NO                          6.160E+15   -0.752     345.00
+NCO+NO2<=>N2O+CO2                        3.250E+12     .000    -705.00
+N+CO2<=>NO+CO                            3.000E+12     .000   11300.00
+O+CH3=>H+H2+CO                           3.370E+13     .000        .00
+O+C2H4<=>H+CH2CHO                        6.700E+06    1.830     220.00
+O+C2H5<=>H+CH3CHO                        1.096E+14     .000        .00
+OH+HO2<=>O2+H2O                          0.500E+16     .000   17330.00
+  DUPLICATE
+OH+CH3=>H2+CH2O                          8.000E+09     .500   -1755.00
+CH+H2(+M)<=>CH3(+M)                      1.970E+12     .430    -370.00
+   LOW/ 4.820E+25  -2.80  590.0 /
+   TROE/ .578  122.0  2535.0  9365.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+CH2+O2=>2H+CO2                           5.800E+12     .000    1500.00
+CH2+O2<=>O+CH2O                          2.400E+12     .000    1500.00
+CH2+CH2=>2H+C2H2                         2.000E+14     .000   10989.00
+CH2(S)+H2O=>H2+CH2O                      6.820E+10     .250    -935.00
+C2H3+O2<=>O+CH2CHO                       3.030E+11     .290      11.00
+C2H3+O2<=>HO2+C2H2                       1.337E+06    1.610    -384.00
+O+CH3CHO<=>OH+CH2CHO                     2.920E+12     .000    1808.00
+O+CH3CHO=>OH+CH3+CO                      2.920E+12     .000    1808.00
+O2+CH3CHO=>HO2+CH3+CO                    3.010E+13     .000   39150.00
+H+CH3CHO<=>CH2CHO+H2                     2.050E+09    1.160    2405.00
+H+CH3CHO=>CH3+H2+CO                      2.050E+09    1.160    2405.00
+OH+CH3CHO=>CH3+H2O+CO                    2.343E+10    0.730   -1113.00
+HO2+CH3CHO=>CH3+H2O2+CO                  3.010E+12     .000   11923.00
+CH3+CH3CHO=>CH3+CH4+CO                   2.720E+06    1.770    5920.00
+H+CH2CO(+M)<=>CH2CHO(+M)                 4.865E+11    0.422   -1755.00
+    LOW/ 1.012E+42  -7.63  3854.0/
+    TROE/ 0.465  201.0  1773.0  5333.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+CH2CHO=>H+CH2+CO2                      1.500E+14     .000       .00
+O2+CH2CHO=>OH+CO+CH2O                    1.810E+10     .000       .00
+O2+CH2CHO=>OH+2HCO                       2.350E+10     .000       .00
+H+CH2CHO<=>CH3+HCO                       2.200E+13     .000       .00
+H+CH2CHO<=>CH2CO+H2                      1.100E+13     .000       .00
+OH+CH2CHO<=>H2O+CH2CO                    1.200E+13     .000       .00
+OH+CH2CHO<=>HCO+CH2OH                    3.010E+13     .000       .00
+CH3+C2H5(+M)<=>C3H8(+M)                  .9430E+13     .000       .00
+     LOW/ 2.710E+74  -16.82  13065.0 /
+     TROE/ .1527  291.0  2742.0  7748.0 / 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+C3H8<=>OH+C3H7                         1.930E+05    2.680   3716.00
+H+C3H8<=>C3H7+H2                         1.320E+06    2.540   6756.00
+OH+C3H8<=>C3H7+H2O                       3.160E+07    1.800    934.00
+C3H7+H2O2<=>HO2+C3H8                     3.780E+02    2.720   1500.00
+CH3+C3H8<=>C3H7+CH4                      0.903E+00    3.650   7154.00
+CH3+C2H4(+M)<=>C3H7(+M)                  2.550E+06    1.600   5700.00
+      LOW/ 3.00E+63  -14.6  18170./
+      TROE/ .1894  277.0  8748.0  7891.0 / 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+C3H7<=>C2H5+CH2O                       9.640E+13     .000       .00
+H+C3H7(+M)<=>C3H8(+M)                    3.613E+13     .000       .00
+      LOW/ 4.420E+61  -13.545  11357.0/
+      TROE/ .315  369.0  3285.0  6667.0 / 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C3H7<=>CH3+C2H5                        4.060E+06    2.190    890.00
+OH+C3H7<=>C2H5+CH2OH                     2.410E+13     .000       .00
+HO2+C3H7<=>O2+C3H8                       2.550E+10    0.255   -943.00
+HO2+C3H7=>OH+C2H5+CH2O                   2.410E+13     .000       .00
+CH3+C3H7<=>2C2H5                         1.927E+13   -0.320       .00
+CH+O<=>HCO()+E-                          2.512E+11    0          1.70124E3
+HCO()+H2O<=>CO+H3O()                     1.000E+16   -0.0897     0
+H3O()+E-<=>H2O+H                         1.440E+17    0          0
+END
--- a/constant/gri/readme30.dat
+++ b/constant/gri/readme30.dat
@ -0,0 +1,271 @@
+The information in this document can also be accessed on the World Wide Web 
+at     http://www.me.berkeley.edu/gri_mech/
+
+  or through the Gas Research Institute GRINet home page at
+                   http://www.gri.org
+point to the 'Basic Research' button, and then to 'GRI-Mech'
+
+At this Web location you can also view results of validation tests, directly 
+load the GRI_Mech files, and check on any late-breaking news available.
+
+Files in this directory:
+
+README30.DAT   This file.
+
+GRIMECH30.DAT  A reaction mechanism and rate coefficient file, in Chemkin
+                format, describing 276 reactions of 49 species. It includes
+                reactions of nitrogen-containing species relevant to the NOx
+                chemistry of natural gas combustion and reburning.
+                A corrected version of the mechanism was posted 11/4/95.
+
+THERMO30.DAT   A thermochemical data file to be used with GRIMECH21.DAT,
+                as sets of "NASA polynomial" coefficients.
+
+TRANSPORT.DAT   A file containing the parameters needed for calculating 
+                transport coefficients to be used in the Sandia flame code.
+
+BUGFIX.DAT      A file containing information on bugs found in using GRI-Mech
+                in various computer codes.
+
+
+The files in this directory are products of computational and experimental
+research sponsored by the Gas Research Institute. 
+The research was carried out at Stanford University, The University of
+California, Berkeley, The University of Texas at Austin, and SRI International.
+
+GRI-Mech is an optimized (see below) detailed chemical reaction mechanism
+capable of the best representation of natural gas flames, ignition, and NOx
+formation and reburning in natural gas combustion that we are able to
+provide as of the date at the head of this file.
+
+In order to use the input files directly you need the Sandia National
+Laboratory "Chemkin-II" programs. (See discussion below.) Ignition and flow
+reactor profiles and well-stirred reactor outputs calculated with this mechanism
+and thermochemical data should be independent of the program used to compute
+them; noticeable small differences in flame profiles should be expected if you
+use a flame code other than Premix, however, because the transport calculation,
+the numerical method of solving the partial differential equations, and so on,
+differ from program to program.
+
+Before telling you more we are obliged to say:
+
+       *******************    GRI  DISCLAIMER   ********************
+
+       LEGAL NOTICE   These files, both the ones intended for use
+
+       as computer input as well as those comprising documentation,
+
+       were prepared by Stanford University, SRI International,
+
+       The University of California, Berkeley, and The University of
+
+       Texas at Austin as a result of research sponsored by the
+
+       Gas Research Institute (GRI).
+
+
+       Neither GRI, members of GRI, nor any person acting on behalf of
+
+       either:
+
+
+
+       a. Makes any warranty or representation, express or implied,
+
+       with respect to the accuracy, completeness, or usefulness
+
+       of the information contained in these files, or that the use
+
+       of any data, method, or process disclosed in these files
+
+       may not infringe privately owned rights; or
+
+
+
+       b. Assumes any liability with respect to the use of, or for
+
+       damages resulting from the use of, any information,
+
+       data, method or process disclosed in these files.
+
+       ************************************************************ 
+
+Now that you have read our disclaimer, here is what you can find in
+this README file:
+
+1. A description of the version 3.0 GRI-Mech release files.
+
+2. A short summary of what we can tell you about its performance.
+   Much more detail is available on the Web page.
+
+3. A request for feedback on your experience with it.
+
+4. How to get in touch with us.
+
+5. Some cautionary notes.
+
+
+
+1. WHAT IS GRI-Mech 3.0?
+
+What follows is a brief overview of the GRI-Mech 3.0 mechanism.
+
+GRI-Mech 3.0 is a compilation of 325 elementary chemical reactions and
+associated rate coefficient expressions and thermochemical parameters for
+the 53 species involved in them.
+
+It differs from the version 2.11 mechanism that it succeeds in that we
+have updated the kinetics and targets, and have also expanded the chemistry.
+New formaldehyde intermediate oxidation targets, prompt NO
+targets and reburn targets are added.  The kinetics now includes a
+better description of the oxidation products of C2 intermediates, and
+a shortened submechanism for propane oxidation as a minor natural gas
+constituent representing the higher molecular weight components was
+added.
+If you have the Chemkin programs, all you need to do is substitute the 
+GRI-Mech 3.0 input files for whatever files you have working with Chemkin
+before(including versions 1.2 or 2.11) and you will be ready to go.
+
+2. VERSION 3.0 PERFORMANCE THAT WE KNOW ABOUT
+
+We test the performance of GRI-Mech extensively. Details are shown on
+the Web page http://www.me.berkeley.edu/gri_mech/.  The lengthy list is
+not repeated here.
+The performance of version 3.0 is generally improved over version 2.11.
+The major results of the new mechanism optimization are:
+1. Deviations from target values are generally less than previously.
+2. Similar values for the key rates CH3+H, CH3+OH, & CH3+O2 were found.
+3. Adding CH2O targets required no changes to our new values for CH2O+M or H.
+4. Only HCN thermodynamics is sensitive.  JANAF value was changed.
+5. An improved prompt NO target increases the CH + N2 rate constant.
+6. New lower experimental flame speeds remain overpredicted.
+
+A very limited subset of propane chemistry was added to version 3.0,
+14 reactions and 2 species.  The sole purpose of this addition and the
+few propane shock tube ignition delay targets is to represent the
+minority higher molecular weight components of natural gas.  It is not
+intended to model propane combustion.
+
+The sparseness of nitrogen targets for NO formation and reburn, noted
+in version 2.11, remains a problem - although several new targets have
+been incorporated into version 3.0. An addendum optimization is being
+prepared to add deNOx kinetics to the mechanism (version 3.1).
+
+3. PLEASE  TELL  US  WHAT  YOU  LEARN,  AND  ABOUT  YOUR PROBLEMS
+
+While the authors are continuing to expand their understanding of how
+GRI-Mech works, it is only natural that others will see things that should be
+done with quite different perspectives.  We would very much like to hear
+from you.
+
+We want to hear about your experiences with GRI-Mech, both successes and
+failures.  It will help us more in our development work, and consequently all
+users of our later releases, to hear about failures.  We welcome suggestions of
+any kind. Please be as specific as you can in telling us about your results
+and your problems.  We will be happy to include the results of your "validation
+runs", with appropriate citation to you, in our printed materials.
+
+We are especially interested in maintaining a list of users, so that we can
+quickly communicate changes, problems, and updates.
+
+Since our ftp daemon does not record actual usernames, we request that those
+who are considering use of the mechanism send us their e-mail addresses.
+Please address them to SMITH@MPLVAX.SRI.COM.
+
+
+
+4. HOW TO CONTACT THE AUTHORS
+
+We can be reached at any of the addresses given below.
+
+Bob Serauskas at GRI is the Program Manager of this project. If you have an
+official question, he is the person to contact. Bob's phone number is
+312-399-8208, his mailing address is c/o Gas Research Institute, 8600 West Bryn
+Mawr Avenue, Chicago, Illinois 60631-3562, his Internet address is
+rserausk@gri.org, and his fax number is 312-399-8170.
+
+For scientific questions please contact Greg Smith or one of the other authors
+listed below:
+
+University of California, Berkeley:
+
+Michael Frenklach   (myf@euler.berkeley.edu)
+
+Nigel Moriarty   (mgold@euler.berkeley.edu)
+
+Stanford University:
+
+Tom Bowman   (bowman@navier.stanford.edu)
+
+SRI International:
+
+Greg Smith   (smith@mplvax.sri.com)
+
+University of Texas at Austin:
+
+Bill Gardiner     (bill@lioness.cm.utexas.edu)
+
+To cite GRI-Mech, please refer to our World Wide Web location 
+
+
+
+5. SOME CAUTIONARY NOTES
+
+First we want to warn you about several general aspects of GRI-Mech.
+
+a. PLEASE DO NOT MAKE ANY SUBSTITUTIONS!
+
+Or if you MUST so, be very careful. GRI-Mech has been optimized as a whole,
+and should be used just as you receive it if you want to duplicate its ability
+to model natural gas combustion and NO formation and removal.
+
+You likely will not surpass the performance we obtained for natural gas
+combustion and NO formation and removal by the independent adjustment of any
+"sensitive" reaction rate parameters.
+
+Any substitution of "better" rate coefficient expressions or removal of
+species or reactions may lead to your getting significantly deteriorated
+performance of the mechanism when tested against the whole spectrum of natural
+gas combustion and NO data.
+
+We recognize that GRI-Mech users are human and will adjust rate coefficients or
+make major changes for specific purposes, such as doing sensitivity analyses.
+When doing this please keep in mind that we do not claim that GRI-Mech is
+suitable as a starting point for mechanism development by patchwork means.
+We cannot predict what the consequences may be.
+
+b. NUMBERS OF SPECIES AND REACTIONS.
+
+The list of reactions and species in GRI-Mech 3.0 contains entries that are
+"unimportant" for natural gas combustion and NO formation and removal
+for the conditions investigated to date.
+
+There are several reasons why we have them there. One is that there are special
+purposes (like models of flame radiation or pollutant emissions) where
+elementary reactions that are otherwise negligible become important, and we
+want to have these reactions on hand for such occasions. A second reason is
+that the combustion of some other fuels (methanol, acetylene, ...) can be
+modeled using GRI-Mech as a subset, with the knowledge that the part of the
+mechanism relevant to natural gas has been optimized in the manner described
+in the documentation for GRI-Mech 3.0. [We have not looked into the performance
+of the GRI-Mech for any fuels except methane, ethane, hydrogen and carbon
+monoxide.]
+
+There are techniques for reducing reaction and species lists that you may want
+to use yourself on GRI-Mech 3.0; please see the relevant comments in the
+documentation.  Reduction methods have been applied to version 1.2.
+
+c. Back reactions.  We consider all reactions to be reversible, even though
+it is clear on thermochemical grounds that negligible reverse flux will
+occur in many reactions. If your modeling program requires explicit
+inclusion of reverse reactions, GRI-Mech 3.0, as presented in this directory,
+will require additional calculations to find out which of them are really 
+needed.
+
+d. Computer time. The numerous species and reactions in GRI-Mech, some of which
+really do not need to be included for modeling natural gas combustion and NO
+formation and removal, increase the demand on computer resources for doing the
+chemical part of the model by a large factor.  We accept this in order to avoid
+coping with the numerous problems that arise in streamlining such
+computations.  Computer time has not been a problem for us even when using
+GRI-Mech on small workstations and fast PCs.
--- a/constant/gri/thermo30.dat
+++ b/constant/gri/thermo30.dat
@ -0,0 +1,230 @@
+THERMO ALL
+   300.000  1000.000  5000.000
+! GRI-Mech Version 3.0 Thermodynamics released 7/30/99
+! NASA Polynomial format for CHEMKIN-II
+! see README file for disclaimer
+O                 L 1/90O   1               G   200.000  3500.000  1000.000    1
+ 2.56942078E+00-8.59741137E-05 4.19484589E-08-1.00177799E-11 1.22833691E-15    2
+ 2.92175791E+04 4.78433864E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06    3
+-6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00                   4
+O2                TPIS89O   2               G   200.000  3500.000  1000.000    1
+ 3.28253784E+00 1.48308754E-03-7.57966669E-07 2.09470555E-10-2.16717794E-14    2
+-1.08845772E+03 5.45323129E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06    3
+-9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00                   4
+H                 L 7/88H   1               G   200.000  3500.000  1000.000    1
+ 2.50000001E+00-2.30842973E-11 1.61561948E-14-4.73515235E-18 4.98197357E-22    2
+ 2.54736599E+04-4.46682914E-01 2.50000000E+00 7.05332819E-13-1.99591964E-15    3
+ 2.30081632E-18-9.27732332E-22 2.54736599E+04-4.46682853E-01                   4
+H2                TPIS78H   2               G   200.000  3500.000  1000.000    1
+ 3.33727920E+00-4.94024731E-05 4.99456778E-07-1.79566394E-10 2.00255376E-14    2
+-9.50158922E+02-3.20502331E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05    3
+ 2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01                   4
+OH                RUS 78O   1H   1          G   200.000  3500.000  1000.000    1
+ 3.09288767E+00 5.48429716E-04 1.26505228E-07-8.79461556E-11 1.17412376E-14    2
+ 3.85865700E+03 4.47669610E+00 3.99201543E+00-2.40131752E-03 4.61793841E-06    3
+-3.88113333E-09 1.36411470E-12 3.61508056E+03-1.03925458E-01                   4
+H2O               L 8/89H   2O   1          G   200.000  3500.000  1000.000    1
+ 3.03399249E+00 2.17691804E-03-1.64072518E-07-9.70419870E-11 1.68200992E-14    2
+-3.00042971E+04 4.96677010E+00 4.19864056E+00-2.03643410E-03 6.52040211E-06    3
+-5.48797062E-09 1.77197817E-12-3.02937267E+04-8.49032208E-01                   4
+HO2               L 5/89H   1O   2          G   200.000  3500.000  1000.000    1
+ 4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14    2
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+-2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00                   4
+H2O2              L 7/88H   2O   2          G   200.000  3500.000  1000.000    1
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+-1.78617877E+04 2.91615662E+00 4.27611269E+00-5.42822417E-04 1.67335701E-05    3
+-2.15770813E-08 8.62454363E-12-1.77025821E+04 3.43505074E+00                   4
+C                 L11/88C   1               G   200.000  3500.000  1000.000    1
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+-7.32234889E-10 2.66521446E-13 8.54438832E+04 4.53130848E+00                   4
+CH                TPIS79C   1H   1          G   200.000  3500.000  1000.000    1
+ 2.87846473E+00 9.70913681E-04 1.44445655E-07-1.30687849E-10 1.76079383E-14    2
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+ 3.16217327E-09-1.40609067E-12 7.07972934E+04 2.08401108E+00                   4
+CH2               L S/93C   1H   2          G   200.000  3500.000  1000.000    1
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+-3.85091153E-09 1.68741719E-12 4.60040401E+04 1.56253185E+00                   4
+CH2(S)            L S/93C   1H   2          G   200.000  3500.000  1000.000    1
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+-6.68815981E-09 1.94314737E-12 5.04968163E+04-7.69118967E-01                   4
+CH3               L11/89C   1H   3          G   200.000  3500.000  1000.000    1
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+-6.87117425E-09 2.54385734E-12 1.64449988E+04 1.60456433E+00                   4
+CH4               L 8/88C   1H   4          G   200.000  3500.000  1000.000    1
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+-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00                   4
+CO                TPIS79C   1O   1          G   200.000  3500.000  1000.000    1
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+CO2               L 7/88C   1O   2          G   200.000  3500.000  1000.000    1
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+-4.87591660E+04 2.27163806E+00 2.35677352E+00 8.98459677E-03-7.12356269E-06    3
+ 2.45919022E-09-1.43699548E-13-4.83719697E+04 9.90105222E+00                   4
+HCO               L12/89H   1C   1O   1     G   200.000  3500.000  1000.000    1
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+-1.33144093E-08 4.33768865E-12 3.83956496E+03 3.39437243E+00                   4
+CH2O              L 8/88H   2C   1O   1     G   200.000  3500.000  1000.000    1
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+-3.79285261E-08 1.31772652E-11-1.43089567E+04 6.02812900E-01                   4
+CH2OH             GUNL93C   1H   3O   1     G   200.000  3500.000  1000.000    1
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+-1.04532012E-08 4.36967278E-12-3.19391367E+03 5.47302243E+00                   4
+CH3O              121686C   1H   3O   1     G   300.00   3000.00   1000.000    1
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+-0.07377636E-07 0.02075610E-10 0.09786011E+04 0.13152177E+02                   4
+CH3OH             L 8/88C   1H   4O   1     G   200.000  3500.000  1000.000    1
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+-7.10806889E-08 2.61352698E-11-2.56427656E+04-1.50409823E+00                   4
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+-3.57657847E-08 1.47150873E-11 3.48598468E+04 8.51054025E+00                   4
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+-6.91588753E-08 2.69884373E-11 5.08977593E+03 4.09733096E+00                   4
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+-5.99126606E-08 2.30509004E-11 1.28416265E+04 4.70720924E+00                   4
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+-7.08466285E-08 2.68685771E-11-1.15222055E+04 2.66682316E+00                   4
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+NH                And94 N   1H   1          G   200.000  6000.000  1000.000    1
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+-0.93361354E-08 0.28035770E-11 0.98446230E+04 0.22808464E+01                   4
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+ 0.04903218E+04-0.05045251E+02 0.03409062E+02 0.10738574E-01 0.01891492E-04    3
+-0.07158583E-07 0.02867385E-10 0.15214766E+04 0.09558290E+02                   4
+E-                SAND86E   1               G   200.000  6000.000  1000.000    1
+ 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00    2
+-7.45375000E+02-1.17246902E+01 2.50000000E+00 0.00000000E+00 0.00000000E+00    3
+ 0.00000000E+00 0.00000000E+00-7.45375000E+02-1.17246902E+01                   4
+HCO()             SAND86O   1H   1C   1E  -1G   300.000  5000.000  1000.000    1
+ 2.47397360E+00 8.67155900E-03-1.00315000E-05 6.71705270E-09-1.78726740E-12    2
+ 9.91466080E+04 8.17571187E+00 3.74118800E+00 3.34415170E-03-1.23971210E-06    3
+ 2.11893880E-10-1.37041500E-14 9.88840780E+04 2.07861357E+00                   4
+H3O()             SAND86O   1H   3E  -1     G   298.150  6000.000  1000.000    1
+ 3.79295270E+00-9.10854000E-04 1.16363549E-05-1.21364887E-08 4.26159663E-12    2
+ 7.07512401E+04 1.47156856E+00 2.49647716E+00 5.72844920E-03-1.83953281E-06    3
+ 2.73577439E-10-1.54093985E-14 7.09729113E+04 7.45850779E+00                   4
+END
--- a/constant/gri/transport.dat
+++ b/constant/gri/transport.dat
@ -0,0 +1,113 @@
+AR                 0   136.500     3.330     0.000     0.000     0.000
+C                  0    71.400     3.298     0.000     0.000     0.000 ! *
+C2                 1    97.530     3.621     0.000     1.760     4.000
+C2O                1   232.400     3.828     0.000     0.000     1.000 ! *
+CN2                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+C2H                1   209.000     4.100     0.000     0.000     2.500
+C2H2               1   209.000     4.100     0.000     0.000     2.500
+C2H2OH             2   224.700     4.162     0.000     0.000     1.000 ! *
+C2H3               2   209.000     4.100     0.000     0.000     1.000 ! *
+C2H4               2   280.800     3.971     0.000     0.000     1.500
+C2H5               2   252.300     4.302     0.000     0.000     1.500
+C2H6               2   252.300     4.302     0.000     0.000     1.500
+C2N                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+C2N2               1   349.000     4.361     0.000     0.000     1.000 ! OIS
+C3H2               2   209.000     4.100     0.000     0.000     1.000 ! *
+C3H4               1   252.000     4.760     0.000     0.000     1.000
+C3H6               2   266.800     4.982     0.000     0.000     1.000
+C3H7               2   266.800     4.982     0.000     0.000     1.000
+C4H6               2   357.000     5.180     0.000     0.000     1.000
+I*C3H7             2   266.800     4.982     0.000     0.000     1.000
+N*C3H7             2   266.800     4.982     0.000     0.000     1.000
+C3H8               2   266.800     4.982     0.000     0.000     1.000
+C4H                1   357.000     5.180     0.000     0.000     1.000
+C4H2               1   357.000     5.180     0.000     0.000     1.000
+C4H2OH             2   224.700     4.162     0.000     0.000     1.000 ! *
+C4H8               2   357.000     5.176     0.000     0.000     1.000
+C4H9               2   357.000     5.176     0.000     0.000     1.000
+I*C4H9             2   357.000     5.176     0.000     0.000     1.000
+C5H2               1   357.000     5.180     0.000     0.000     1.000
+C5H3               1   357.000     5.180     0.000     0.000     1.000
+C6H2               1   357.000     5.180     0.000     0.000     1.000
+C6H5               2   412.300     5.349     0.000     0.000     1.000 ! JAM
+C6H5O              2   450.000     5.500     0.000     0.000     1.000 ! JAM
+C5H5OH             2   450.000     5.500     0.000     0.000     1.000 ! JAM
+C6H6               2   412.300     5.349     0.000     0.000     1.000 ! SVE
+C6H7               2   412.300     5.349     0.000     0.000     1.000 ! JAM
+CH                 1    80.000     2.750     0.000     0.000     0.000
+CH2                1   144.000     3.800     0.000     0.000     0.000
+CH2(S)             1   144.000     3.800     0.000     0.000     0.000
+CH2*               1   144.000     3.800     0.000     0.000     0.000
+CH2CHCCH           2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH2CHCCH2          2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH2CHCH2           2   260.000     4.850     0.000     0.000     1.000 ! JAM
+CH2CHCHCH          2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH2CHCHCH2         2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH2CO              2   436.000     3.970     0.000     0.000     2.000
+CH2O               2   498.000     3.590     0.000     0.000     2.000
+CH2OH              2   417.000     3.690     1.700     0.000     2.000
+CH3                1   144.000     3.800     0.000     0.000     0.000
+CH3CC              2   252.000     4.760     0.000     0.000     1.000 ! JAM
+CH3CCCH2           2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH3CCCH3           2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH3CCH2            2   260.000     4.850     0.000     0.000     1.000 ! JAM
+CH3CHCH            2   260.000     4.850     0.000     0.000     1.000 ! JAM
+CH3CH2CCH          2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH3CHO             2   436.000     3.970     0.000     0.000     2.000
+CH2CHO             2   436.000     3.970     0.000     0.000     2.000
+CH3CO              2   436.000     3.970     0.000     0.000     2.000
+CH3O               2   417.000     3.690     1.700     0.000     2.000
+CH3OH              2   481.800     3.626     0.000     0.000     1.000 ! SVE
+CH4                2   141.400     3.746     0.000     2.600    13.000
+CH4O               2   417.000     3.690     1.700     0.000     2.000
+CN                 1    75.000     3.856     0.000     0.000     1.000 ! OIS
+CNC                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+CNN                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+CO                 1    98.100     3.650     0.000     1.950     1.800
+CO2                1   244.000     3.763     0.000     2.650     2.100
+H                  0   145.000     2.050     0.000     0.000     0.000
+H2C4O              2   357.000     5.180     0.000     0.000     1.000 ! JAM
+H2                 1    38.000     2.920     0.000     0.790   280.000
+H2CCCCH            2   357.000     5.180     0.000     0.000     1.000 ! JAM
+H2CCCCH2           2   357.000     5.180     0.000     0.000     1.000 ! JAM
+H2CCCH             2   252.000     4.760     0.000     0.000     1.000 ! JAM
+H2CN               1   569.000     3.630     0.000     0.000     1.000 ! os/jm
+H2NO               2   116.700     3.492     0.000     0.000     1.000 ! JAM
+H2O                2   572.400     2.605     1.844     0.000     4.000
+H2O2               2   107.400     3.458     0.000     0.000     3.800
+HC2N2              1   349.000     4.361     0.000     0.000     1.000 ! OIS
+HCCHCCH            2   357.000     5.180     0.000     0.000     1.000 ! JAM
+HCCO               2   150.000     2.500     0.000     0.000     1.000 ! *
+HCNN               2   150.000     2.500     0.000     0.000     1.000 ! *
+HCCOH              2   436.000     3.970     0.000     0.000     2.000
+HCN                1   569.000     3.630     0.000     0.000     1.000 ! OIS
+HCO                2   498.000     3.590     0.000     0.000     0.000
+HE                 0    10.200     2.576     0.000     0.000     0.000 ! *
+HCNO               2   232.400     3.828     0.000     0.000     1.000 ! JAM
+HOCN               2   232.400     3.828     0.000     0.000     1.000 ! JAM
+HNCO               2   232.400     3.828     0.000     0.000     1.000 ! OIS
+HNNO               2   232.400     3.828     0.000     0.000     1.000 ! *
+HNO                2   116.700     3.492     0.000     0.000     1.000 ! *
+HNOH               2   116.700     3.492     0.000     0.000     1.000 ! JAM
+HO2                2   107.400     3.458     0.000     0.000     1.000 ! *
+N                  0    71.400     3.298     0.000     0.000     0.000 ! *
+N2                 1    97.530     3.621     0.000     1.760     4.000
+N2H2               2    71.400     3.798     0.000     0.000     1.000 ! *
+N2H3               2   200.000     3.900     0.000     0.000     1.000 ! *
+N2H4               2   205.000     4.230     0.000     4.260     1.500
+N2O                1   232.400     3.828     0.000     0.000     1.000 ! *
+NCN                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+NCO                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+NH                 1    80.000     2.650     0.000     0.000     4.000
+NH2                2    80.000     2.650     0.000     2.260     4.000
+NH3                2   481.000     2.920     1.470     0.000    10.000
+NNH                2    71.400     3.798     0.000     0.000     1.000 ! *
+NO                 1    97.530     3.621     0.000     1.760     4.000
+NCNO               2   232.400     3.828     0.000     0.000     1.000 ! OIS
+NO2                2   200.000     3.500     0.000     0.000     1.000 ! *
+O                  0    80.000     2.750     0.000     0.000     0.000
+O2                 1   107.400     3.458     0.000     1.600     3.800
+OH                 1    80.000     2.750     0.000     0.000     0.000
+H3O()              2   572.400     2.605     1.844     0.000     4.000 ! APPROX to H2O
+HCO()              1   498.000     3.590     0.000     0.000     0.000 ! APPROX to HCO
+E-                 0   498.000     3.590     0.000     0.000     0.000 ! DUMMY
--- a/constant/physicalProperties
+++ b/constant/physicalProperties
@ -0,0 +1,83 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.3.1                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      physicalProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+epsilon0        epsilon0 [ -1 -3 4 0 0 2 0 ] 8.85419e-12;
+
+mobility_f_of_Te    true;
+
+// mueN constant 0.4;
+mueNFac 1e-0;
+mueN csvFile;
+mueNCoeffs
+{
+    nHeaderLine         0;          // number of header lines
+    refColumn           0;          // reference column index
+    componentColumns    (1);        // component column indices
+    separator           " ";        // optional (defaults to ",")
+    mergeSeparators     yes;         // merge multiple separators
+    fileName            "mueNv.txt";  // name of csv data file
+    outOfBounds         clamp;      // optional out-of-bounds handling
+    interpolationScheme linear;     // optional interpolation scheme
+}
+
+calculateDe true; // false; // 
+DeN constant 1e25;
+// DeN csvFile;
+DeNCoeffs
+{
+    nHeaderLine         553;          // number of header lines
+    refColumn           1;          // reference column index
+    componentColumns    (4);        // component column indices
+    separator           " ";        // optional (defaults to ",")
+    mergeSeparators     yes;         // merge multiple separators
+    fileName            "bolsig.0-300.transport";  // name of csv data file
+    outOfBounds         clamp;      // optional out-of-bounds handling
+    interpolationScheme linear;     // optional interpolation scheme
+}
+
+TeOfEn constant 300.0;
+// TeOfEn csvFile;
+TeOfEnCoeffs
+{
+    nHeaderLine         553;          // number of header lines
+    refColumn           1;          // reference column index
+    componentColumns    (2);        // component column indices
+    separator           " ";        // optional (defaults to ",")
+    mergeSeparators     yes;         // merge multiple separators
+    fileName            "bolsig.0-300.transport";  // name of csv data file
+    outOfBounds         clamp;      // optional out-of-bounds handling
+    interpolationScheme linear;     // optional interpolation scheme
+}
+
+wallElectronFlux
+{
+/*
+*/
+    TeName              "Te";
+    // wallPatches         ();
+    wallPatches         (nzLow nzUpp coLow coUpp);
+    wallReflexes        (0 0 0 0);
+}
+
+wallIonFluxes
+{
+    ions
+    (
+    );
+
+}
+// ************************************************************************* //
--- a/constant/polyMesh/blockMeshDict
+++ b/constant/polyMesh/blockMeshDict
@ -0,0 +1,121 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.3.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      blockMeshDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 1e-3; // 1 m / 1000 mm
+
+
+
+vertices
+(
+(0  0                 0                )
+(0  4.99980961532  -0.0436326774919)
+(0  4.99980961532  0.0436326774919)
+(0  9.99961923064  -0.0872653549837)
+(0  9.99961923064  0.0872653549837)
+(10  0                 0                )
+(10  4.99980961532  -0.0436326774919)
+(10  4.99980961532  0.0436326774919)
+(10  9.99961923064  -0.0872653549837)
+(10  9.99961923064  0.0872653549837)
+);
+
+
+
+blocks
+(
+    hex (0 1 2 0 5 6 7 5) (50 1 100) simpleGrading (1 1 1)
+    hex (1 3 4 2 6 8 9 7) (50 1 100) simpleGrading (1 1 1)
+);
+
+edges
+(
+);
+
+boundary
+(
+    nzLow
+    {
+        type patch;
+        faces
+        (
+            (0 0 2 1)
+        );
+    }
+    nzUpp
+    {
+        type patch;
+        faces
+        (
+            (5 6 7 5)
+        );
+    }
+    coLow
+    {
+        type patch;
+        faces
+        (
+            (1 2 4 3)
+        );
+    }
+    coUpp
+    {
+        type patch;
+        faces
+        (
+            (6 8 9 7)
+        );
+    }
+    outlet
+    {
+        type patch;
+        faces
+        (
+            (3 4 9 8)
+        );
+    }
+    front
+    {
+        type wedge;
+        faces
+        (
+            (2 0 5 7)
+            (4 2 7 9)
+        );
+    }
+    back
+    {
+        type wedge;
+        faces
+        (
+            (0 1 6 5)
+            (1 3 8 6)
+        );
+    }
+    axis
+    {
+        type empty;
+        faces
+        (
+            (0 0 5 5)
+        );
+    }
+);
+
+mergePatchPairs
+(
+);
+
+// ************************************************************************* //
--- a/constant/thermophysicalProperties
+++ b/constant/thermophysicalProperties
@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      thermophysicalProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+thermoType
+{
+    type            hePsiThermo;
+    mixture         reactingMixture;
+    transport       cantera;
+    thermo          janaf;
+    energy          sensibleEnthalpy;
+    equationOfState perfectGas;
+    specie          specie;
+}
+
+inertSpecie N2;
+
+chemistryReader foamChemistryReader;
+
+// foamChemistryFile "$FOAM_CASE/constant/reactions";
+
+// foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGas";
+
+foamChemistryFile       "$FOAM_CASE/constant/gri/grimech30.foam";
+
+foamChemistryThermoFile "$FOAM_CASE/constant/gri/thermo30.foam";
+
+
+// ************************************************************************* //
--- a/constant/turbulenceProperties
+++ b/constant/turbulenceProperties
@ -0,0 +1,21 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      turbulenceProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+simulationType  laminar;
+
+
+// ************************************************************************* //
--- a/mue.txt
+++ b/mue.txt
@ -0,0 +1,9 @@
+0.00 1.138 1.462 1.440 1.400 1.146 
+0.05 0.645 0.643 0.626 0.647 0.619 
+0.10 0.513 0.496 0.485 0.499 0.483 
+0.15 0.454 0.437 0.430 0.439 0.425 
+0.20 0.423 0.408 0.404 0.409 0.393 
+0.40 0.385 0.379 0.380 0.378 0.355 
+0.60 0.389 0.390 0.393 0.386 0.358 
+0.80 0.408 0.413 0.413 0.404 0.373 
+1.00 0.451 0.475 0.480 0.445 0.417
--- a/mueN.txt
+++ b/mueN.txt
@ -0,0 +1,9 @@
+3.000e+02 9.785254638168353901e+24
+3.975e+02 7.385097840127061006e+24
+4.950e+02 5.930457356465669551e+24
+5.925e+02 4.954559310464988461e+24
+6.900e+02 4.254458538334067240e+24
+1.080e+03 2.718126288380098008e+24
+1.470e+03 1.996990742483337575e+24
+1.860e+03 1.578266877123928326e+24
+2.250e+03 1.304700618422447151e+24
--- a/mueNv.txt
+++ b/mueNv.txt
@ -0,0 +1,9 @@
+3.000e+02 3.522691669740607147e+25
+3.975e+02 1.155767811979885009e+25
+4.950e+02 7.190679544714624546e+24
+5.925e+02 5.326151258749862890e+24
+6.900e+02 4.297003123717408031e+24
+1.080e+03 2.582219973961092973e+24
+1.470e+03 1.962043404489879183e+24
+1.860e+03 1.629560550630455610e+24
+2.250e+03 1.565640742106936474e+24
--- a/system/controlDict
+++ b/system/controlDict
@ -0,0 +1,59 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+application     reactingFoam;
+
+startFrom       latestTime; // startTime; // 
+
+startTime       0;
+
+stopAt          endTime; // nextWrite; // writeNow; // 
+
+endTime         1.5;
+
+deltaT          1.0e-6;
+
+writeControl    clockTime; // adjustableRunTime;
+
+writeInterval   3600; // 0.05; // 0.000078; //
+
+purgeWrite      0;
+
+secondaryWriteControl    timeStep;
+
+secondaryWriteInterval   10;
+
+secondaryPurgeWrite      10;
+
+writeFormat     ascii;
+
+writePrecision  6;
+
+writeCompression off;
+
+timeFormat      general;
+
+timePrecision   16;
+
+runTimeModifiable true;
+
+adjustTimeStep  no;
+
+maxCo           0.4;
+
+
+// ************************************************************************* //
--- a/system/decomposeParDict
+++ b/system/decomposeParDict
@ -0,0 +1,60 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.2.2                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      decomposeParDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+numberOfSubdomains 24;
+
+// method         scotch;
+method         simple;
+
+simpleCoeffs
+{
+    n               ( 3 8 1 );
+    delta           0.001;
+}
+
+
+/*
+simpleCoeffs
+{
+    n               ( 1 2 2 );
+    delta           0.001;
+}
+*/
+
+hierarchicalCoeffs
+{
+    n               ( 1 1 1 );
+    delta           0.001;
+    order           xyz;
+}
+
+scotchCoeffs
+{
+
+}
+
+manualCoeffs
+{
+    dataFile        "";
+}
+
+distributed     no;
+
+roots           ( );
+
+
+// ************************************************************************* //
--- a/system/fvOptions
+++ b/system/fvOptions
@ -0,0 +1,18 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvOptions;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// ************************************************************************* //
--- a/system/fvSchemes
+++ b/system/fvSchemes
@ -0,0 +1,65 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSchemes;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         Euler;
+}
+
+gradSchemes
+{
+    default         Gauss linear;
+}
+
+divSchemes
+{
+    default         none;
+
+    div(phi,U)      Gauss limitedLinearV 1;
+    div(phi,Yi_h)   Gauss limitedLinear 1;
+    div(phi,K)      Gauss limitedLinear 1;
+    div(phid,p)     Gauss limitedLinear 1;
+    div(phi,epsilon) Gauss limitedLinear 1;
+    div(phi,k) Gauss limitedLinear 1;
+    div((muEff*dev2(T(grad(U))))) Gauss linear;
+    div((interpolate((((De|ng)|Te)*grad(Te)))&S),ne) Gauss limitedLinear 1;
+    div(ve,ne) Gauss limitedLinear 1;
+}
+
+laplacianSchemes
+{
+    default         Gauss linear orthogonal;
+}
+
+interpolationSchemes
+{
+    default         linear;
+}
+
+snGradSchemes
+{
+    default         orthogonal;
+}
+
+fluxRequired
+{
+    default         no;
+    p;
+}
+
+
+// ************************************************************************* //
--- a/system/fvSolution
+++ b/system/fvSolution
@ -0,0 +1,90 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSolution;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    "rho.*"
+    {
+        solver          diagonal;
+    }
+
+    p
+    {
+        solver           PCG;
+        preconditioner   DIC;
+        tolerance        1e-6;
+        relTol           0.1;
+    }
+
+    pFinal
+    {
+        $p;
+        tolerance        1e-6;
+        relTol           0.0;
+    }
+
+    "(U|h|k|epsilon)"
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-6;
+        relTol          0.1;
+    }
+
+    "(U|h|k|epsilon)Final"
+    {
+        $U;
+        relTol          0;
+    }
+
+    Yi
+    {
+        $hFinal;
+    }
+
+    ne
+    {
+        $Yi;
+        nNeSubCycles    1000;
+    }
+
+    Phi
+    {
+        solver          PCG;
+        preconditioner  DIC;
+        tolerance       1e-08;
+        relTol          0.2;
+    }
+
+    PhiFinal
+    {
+        $Phi;
+        tolerance       1e-08;
+        relTol          0.0;
+    }
+}
+
+PIMPLE
+{
+    momentumPredictor no;
+    nOuterCorrectors  1;
+    nCorrectors     2;
+    nNonOrthogonalCorrectors 0;
+}
+
+
+// ************************************************************************* //
--- a/system/sampleDict
+++ b/system/sampleDict
@ -0,0 +1,325 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      sampleDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Set output format : choice of
+//      xmgr
+//      jplot
+//      gnuplot
+//      raw
+//      vtk
+//      ensight
+//      csv
+setFormat raw;
+
+// Surface output format. Choice of
+//      null        : suppress output
+//      ensight     : Ensight Gold format, one field per case file
+//      foamFile    : separate points, faces and values file
+//      dx          : DX scalar or vector format
+//      vtk         : VTK ascii format
+//      raw         : x y z value format for use with e.g. gnuplot 'splot'.
+//
+// Note:
+// other formats such as obj, stl, etc can also be written (by proxy)
+// but without any values!
+surfaceFormat vtk;
+
+// optionally define extra controls for the output formats
+formatOptions
+{
+    ensight
+    {
+        format  ascii;
+    }
+}
+
+// interpolationScheme. choice of
+//      cell          : use cell-centre value only; constant over cells
+//                      (default)
+//      cellPoint     : use cell-centre and vertex values
+//      cellPointFace : use cell-centre, vertex and face values.
+//      pointMVC      : use point values only (Mean Value Coordinates)
+//      cellPatchConstrained : like 'cell' but uses cell-centre except on
+//                             boundary faces where it uses the boundary value.
+//                             For use with e.g. patchCloudSet.
+// 1] vertex values determined from neighbouring cell-centre values
+// 2] face values determined using the current face interpolation scheme
+//    for the field (linear, gamma, etc.)
+interpolationScheme cellPoint;
+
+// Fields to sample.
+fields
+(
+    p
+    U
+);
+
+// Set sampling definition: choice of
+//      uniform             evenly distributed points on line
+//      face                one point per face intersection
+//      midPoint            one point per cell, inbetween two face intersections
+//      midPointAndFace     combination of face and midPoint
+//
+//      polyLine            specified points, not nessecary on line, uses
+//                          tracking
+//      cloud               specified points, uses findCell
+//      triSurfaceMeshPointSet  points of triSurface
+//
+// axis: how to write point coordinate. Choice of
+// - x/y/z: x/y/z coordinate only
+// - xyz: three columns
+//  (probably does not make sense for anything but raw)
+// - distance: distance from start of sampling line (if uses line) or
+//             distance from first specified sampling point
+//
+// type specific:
+//      uniform, face, midPoint, midPointAndFace : start and end coordinate
+//      uniform: extra number of sampling points
+//      polyLine, cloud: list of coordinates
+//      patchCloud: list of coordinates and set of patches to look for nearest
+//      patchSeed: random sampling on set of patches. Points slightly off
+//                 face centre.
+sets
+(
+    lineX1
+    {
+        type        uniform;
+        axis        distance;
+
+        //- cavity. Slightly perturbed so not to align with face or edge.
+        start       (0.0201 0.05101 0.00501);
+        end         (0.0601 0.05101 0.00501);
+        nPoints     10;
+    }
+
+    lineX2
+    {
+        type        face;
+        axis        x;
+
+        //- cavity
+        start       (0.0001 0.0525 0.00501);
+        end         (0.0999 0.0525 0.00501);
+    }
+
+    somePoints
+    {
+        type    cloud;
+        axis    xyz;
+        points  ((0.049 0.049 0.00501)(0.051 0.049 0.00501));
+    }
+
+    somePatchPoints
+    {
+        // Sample nearest points on selected patches. Looks only up to
+        // maxDistance away. Any sampling point not found will get value
+        // pTraits<Type>::max (usually VGREAT)
+        // Use with interpolations:
+        // - cell (cell value)
+        // - cellPatchConstrained (boundary value)
+        // - cellPoint (interpolated boundary value)
+        type        patchCloud;
+        axis        xyz;
+        points      ((0.049 0.099 0.005)(0.051 0.054 0.005));
+        maxDistance 0.1;    // maximum distance to search
+        patches     (".*Wall.*");
+    }
+
+    patchSeed
+    {
+        type        patchSeed;
+        axis        xyz;
+        patches     (".*Wall.*");
+        // Number of points to seed. Divided amongst all processors according
+        // to fraction of patches they hold.
+        maxPoints   100;
+    }
+
+);
+
+
+// Surface sampling definition
+//
+// 1] patches are not triangulated by default
+// 2] planes are always triangulated
+// 3] iso-surfaces are always triangulated
+surfaces
+(
+    constantPlane
+    {
+        type            plane;    // always triangulated
+        basePoint       (0.0501 0.0501 0.005);
+        normalVector    (0.1 0.1 1);
+
+        //- Optional: restrict to a particular zone
+        // zone        zone1;
+
+        //- Optional: do not triangulate (only for surfaceFormats that support
+        //            polygons)
+        //triangulate     false;
+    }
+
+    interpolatedPlane
+    {
+        type            plane;    // always triangulated
+
+        // Make plane relative to the coordinateSystem (Cartesian)
+        coordinateSystem
+        {
+            origin      (0.0501 0.0501 0.005);
+
+            // Add a coordinate rotation
+            // (required, so here one that doesn't change anything)
+            coordinateRotation
+            {
+                type    axesRotation;
+                e1      (1 0 0);
+                e2      (0 1 0);
+            }
+        }
+        basePoint       (0 0 0);
+        normalVector    (0.1 0.1 1);
+        interpolate     true;
+    }
+
+    walls_constant
+    {
+        type            patch;
+        patches         ( ".*Wall.*" );
+        // Optional: whether to leave as faces (=default) or triangulate
+        // triangulate     false;
+    }
+
+    walls_interpolated
+    {
+        type            patch;
+        patches         ( ".*Wall.*" );
+        interpolate     true;
+        // Optional: whether to leave as faces (=default) or triangulate
+        // triangulate     false;
+    }
+
+    nearWalls_interpolated
+    {
+        // Sample cell values off patch. Does not need to be the near-wall
+        // cell, can be arbitrarily far away.
+        type            patchInternalField;
+        patches         ( ".*Wall.*" );
+        interpolate     true;
+
+
+        // Optional: specify how to obtain sampling points from the patch
+        //           face centres (default is 'normal')
+        //
+        //  //- Specify distance to offset in normal direction
+        offsetMode  normal;
+        distance    0.1;
+        //
+        //  //- Specify single uniform offset
+        //  offsetMode  uniform;
+        //  offset      (0 0 0.0001);
+        //
+        //  //- Specify offset per patch face
+        //  offsetMode  nonuniform;
+        //  offsets     ((0 0 0.0001) (0 0 0.0002));
+
+
+        // Optional: whether to leave as faces (=default) or triangulate
+        // triangulate     false;
+    }
+
+    interpolatedIso
+    {
+        // Iso surface for interpolated values only
+        type            isoSurface;    // always triangulated
+        isoField        rho;
+        isoValue        0.5;
+        interpolate     true;
+
+        //zone            ABC;          // Optional: zone only
+        //exposedPatchName fixedWalls;  // Optional: zone only
+
+        // regularise      false;    // Optional: do not simplify
+        // mergeTol        1e-10;    // Optional: fraction of mesh bounding box
+                                     // to merge points (default=1e-6)
+    }
+    constantIso
+    {
+        // Iso surface for constant values.
+        // Triangles guaranteed not to cross cells.
+        type            isoSurfaceCell;    // always triangulated
+        isoField        rho;
+        isoValue        0.5;
+        interpolate     false;
+        regularise      false;              // do not simplify
+        // mergeTol        1e-10;    // Optional: fraction of mesh bounding box
+                                     // to merge points (default=1e-6)
+    }
+
+    triangleCut
+    {
+        // Cutingplane using iso surface
+        type            cuttingPlane;
+        planeType       pointAndNormal;
+        pointAndNormalDict
+        {
+            basePoint       (0.4 0 0.4);
+            normalVector    (1 0.2 0.2);
+        }
+        interpolate     true;
+
+        //zone            ABC;          // Optional: zone only
+        //exposedPatchName fixedWalls;  // Optional: zone only
+
+        // regularise      false;    // Optional: do not simplify
+        // mergeTol        1e-10;    // Optional: fraction of mesh bounding box
+                                     // to merge points (default=1e-6)
+    }
+
+    distance
+    {
+        // Isosurface from signed/unsigned distance to surface
+        type            distanceSurface;
+        signed          true;
+
+        // Definition of surface
+        surfaceType     triSurfaceMesh;
+        surfaceName     integrationPlane.stl;
+        // Distance to surface
+        distance        0.0;
+
+        //cell            false;// optional: use isoSurface instead
+                                // of isoSurfaceCell
+        interpolate     false;
+        regularise      false;  // Optional: do not simplify
+        // mergeTol 1e-10;      // Optional: fraction of mesh bounding box
+                                // to merge points (default=1e-6)
+    }
+
+    triSurfaceSampling
+    {
+        // Sampling on triSurface
+        type        sampledTriSurfaceMesh;
+        surface     integrationPlane.stl;
+        source      boundaryFaces;  // What to sample: cells (nearest cell)
+                                    // insideCells (only triangles inside cell)
+                                    // boundaryFaces (nearest boundary face)
+        interpolate true;
+    }
+);
+
+
+// *********************************************************************** //
--- a/system/topoSetDict
+++ b/system/topoSetDict
@ -0,0 +1,425 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.4.0                                 |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      topoSetDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// List of actions. Each action is a dictionary with e.g.
+//     // name of set
+//     name    c0;
+//
+//     // type: pointSet/faceSet/cellSet/faceZoneSet/cellZoneSet
+//     type    cellSet;
+//
+//     // action to perform on set. Two types:
+//     // - require no source : clear/invert/remove
+//     //       clear  : clears set or zone
+//     //       invert : select all currently non-selected elements
+//     //       remove : removes set or zone
+//     // - require source    : new/add/delete/subset
+//     //       new    : create new set or zone from source
+//     //       add    : add source to contents
+//     //       delete : deletes source from contents
+//     //       subset : keeps elements both in contents and source
+//     action  new;
+//
+// The source entry varies according to the type of set:
+//
+// cellSet
+// ~~~~~~~
+//
+//    // Select by explicitly providing cell labels
+//    source labelToCell;
+//    sourceInfo
+//    {
+//        value (12 13 56);   // labels of cells
+//    }
+//
+//    // Copy elements from cellSet
+//    source cellToCell;
+//    sourceInfo
+//    {
+//        set c1;
+//    }
+//
+//    // Cells in cell zone
+//    source zoneToCell;
+//    sourceInfo
+//    {
+//        name ".*Zone";      // Name of cellZone, regular expressions allowed
+//    }
+//
+//    // Cells on master or slave side of faceZone
+//    source faceZoneToCell;
+//    sourceInfo
+//    {
+//        name ".*Zone";      // Name of faceZone, regular expressions allowed
+//        option master;      // master/slave
+//    }
+//
+//    // Select based on faceSet
+//    source faceToCell;
+//    sourceInfo
+//    {
+//        set f0;             // Name of faceSet
+//
+//        //option neighbour; // cell with neighbour in faceSet
+//        //option owner;     //  ,,       owner
+//        option any;         // cell with any face in faceSet
+//        //option all;       // cell with all faces in faceSet
+//    }
+//
+//    // Select based on pointSet
+//    source pointToCell;
+//    sourceInfo
+//    {
+//        set p0;
+//        option any;         // cell with any point in pointSet
+//        //option edge;      // cell with an edge with both points in pointSet
+//    }
+//
+//    // Select based on cellShape
+//    source shapeToCell;
+//    sourceInfo
+//    {
+//        type hex;           // hex/wedge/prism/pyr/tet/tetWedge/splitHex
+//    }
+//
+//    // Cells with cell centre within box ('box') or multiple boxes ('boxes')
+//    source boxToCell;
+//    sourceInfo
+//    {
+//       box   (0 0 0) (1 1 1);
+//       //boxes   ((0 0 0) (1 1 1) (10 10 10)(11 11 11));
+//    }
+//
+//    // Cells with cell centre within box
+//    // Is skewed, rotated box. Given as origin and three spanning vectors.
+//    source rotatedBoxToCell;
+//    sourceInfo
+//    {
+//       origin   (0.2 0.2 -10);
+//       i        (0.2 0.2 0);
+//       j        (-0.2 0.2 0);
+//       k        (10 10 10);
+//    }
+//
+//    // Cells with centre within cylinder
+//    source cylinderToCell;
+//    sourceInfo
+//    {
+//       p1       (0.2 0.2 -10); // start point on cylinder axis
+//       p2       (0.2 0.2 0);   // end point on cylinder axis
+//       radius   5.0;
+//    }
+//
+//    // Cells with centre within sphere
+//    source sphereToCell;
+//    sourceInfo
+//    {
+//       centre   (0.2 0.2 -10);
+//       radius   5.0;
+//    }
+//
+//    // Cells with cellCentre nearest to coordinates
+//    source nearestToCell;
+//    sourceInfo
+//    {
+//       points ((0 0 0) (1 1 1)(2 2 2));
+//    }
+//
+//    // Select based on surface
+//    source surfaceToCell;
+//    sourceInfo
+//    {
+//        file            "www.avl.com-geometry.stl";
+//        useSurfaceOrientation false;  // use closed surface inside/outside
+//                                      // test (ignores includeCut,
+//                                      // outsidePoints)
+//        outsidePoints   ((-99 -99 -59));    // definition of outside
+//        includeCut      false;              // cells cut by surface
+//        includeInside   false;              // cells not on outside of surf
+//        includeOutside  false;              // cells on outside of surf
+//        nearDistance    -1;                 // cells with centre near surf
+//                                            // (set to -1 if not used)
+//        curvature       0.9;                // cells within nearDistance
+//                                            // and near surf curvature
+//                                            // (set to -100 if not used)
+//    }
+//
+//    // values of field within certain range
+//    source fieldToCell;
+//    sourceInfo
+//    {
+//        fieldName   U;      // Note: uses mag(U) since volVectorField
+//        min         0.1;
+//        max         0.5;
+//    }
+//
+//    // Mesh region (non-face connected part of (subset of)mesh)
+//    source regionToCell;
+//    sourceInfo
+//    {
+//        set         c0;         // optional name of cellSet giving mesh subset
+//        insidePoints ((1 2 3)); // points inside region to select
+//        nErode      0;          // optional number of layers to erode
+//                                // selection
+//    }
+//
+//    // Cells underneath plane such that volume is reached. E.g. for use
+//    // in setFields to set the level given a wanted volume.
+//    source targetVolumeToCell;
+//    sourceInfo
+//    {
+//        volume  2e-05;
+//        normal  (0 1 0);          // usually in direction of gravity
+//    }
+//
+//
+//
+// faceSet
+// ~~~~~~~
+//
+//    // Copy elements from faceSet
+//    source faceToFace;
+//    sourceInfo
+//    {
+//        set f1;
+//    }
+//
+//    // Select based on cellSet
+//    source cellToFace;
+//    sourceInfo
+//    {
+//        set c0;
+//        option all;         // All faces of cells
+//        //option both;      // Only faces whose owner&neighbour are in cellSet
+//    }
+//
+//    // Select based on pointSet
+//    source pointToFace;
+//    sourceInfo
+//    {
+//        set p0;
+//        option any;         // Faces using any point in pointSet
+//        //option all        // Faces with all points in pointSet
+//        //option edge       // Faces with two consecutive points in pointSet
+//    }
+//
+//    //  Select by explicitly providing face labels
+//    source labelToFace;
+//    sourceInfo
+//    {
+//        value (12 13 56);   // labels of faces
+//    }
+//
+//    // All faces of patch
+//    source patchToFace;
+//    sourceInfo
+//    {
+//        name ".*Wall";      // Name of patch or patch group,
+//                            // (regular expressions allowed)
+//    }
+//
+//    // All boundary faces
+//    source boundaryToFace;
+//    sourceInfo
+//    {
+//    }
+//
+//    // All faces of faceZone
+//    source zoneToFace;
+//    sourceInfo
+//    {
+//        name ".*Zone1";     // Name of faceZone, regular expressions allowed
+//    }
+//
+//    // Faces with face centre within box ('box') or multiple boxes ('boxes')
+//    source boxToFace;
+//    sourceInfo
+//    {
+//        box  (0 0 0) (1 1 1);
+//       //boxes   ((0 0 0) (1 1 1) (10 10 10)(11 11 11));
+//    }
+//
+//    // Faces with normal to within certain angle aligned with vector.
+//    source normalToFace;
+//    sourceInfo
+//    {
+//        normal (0 0 1);     // Vector
+//        cos     0.01;       // Tolerance (max cos of angle)
+//    }
+//
+//    // Walk on faces in faceSet, starting from face nearest given position
+//    source  regionToFace;
+//    sourceInfo
+//    {
+//        set         f0;
+//        nearPoint   (0.1 0.1 0.005);
+//    }
+//
+//
+//
+// pointSet
+// ~~~~~~~
+//
+//    // Copy elements from pointSet
+//    source pointToPoint;
+//    sourceInfo
+//    {
+//        set p1;
+//    }
+//
+//    // Select based on cellSet
+//    source cellToPoint;
+//    sourceInfo
+//    {
+//        set c0;
+//        option all;         // all points of cell
+//    }
+//
+//    // Select based on faceSet
+//    source faceToPoint;
+//    sourceInfo
+//    {
+//        set f0;             // name of faceSet
+//        option all;         // all points of face
+//    }
+//
+//    // Select by explicitly providing point labels
+//    source labelToPoint;
+//    sourceInfo
+//    {
+//        value (12 13 56);   // labels of points
+//    }
+//
+//    // All points in pointzone
+//    source zoneToPoint;
+//    sourceInfo
+//    {
+//        name ".*Zone";      // name of pointZone, regular expressions allowed
+//    }
+//
+//    // Points nearest to coordinates
+//    source nearestToPoint;
+//    sourceInfo
+//    {
+//       points ((0 0 0) (1 1 1));
+//    }
+//
+//    // Points with coordinate within box ('box') or multiple boxes ('boxes')
+//    source boxToPoint;
+//    sourceInfo
+//    {
+//       box   (0 0 0) (1 1 1);
+//       //boxes   ((0 0 0) (1 1 1) (10 10 10)(11 11 11));
+//    }
+//
+//    // Select based on surface
+//    source surfaceToPoint;
+//    sourceInfo
+//    {
+//        file            "www.avl.com-geometry.stl";
+//        nearDistance    0.1;    // points near to surface
+//        includeInside   false;  // points on inside of surface
+//                                // (requires closed surface with consistent
+//                                //  normals)
+//        includeOutside  false;  //   ,,    outside  ,,
+//    }
+//
+//
+//
+//
+// cellZoneSet
+// ~~~~~~~~~~~
+// (mirrors operations on a cellSet into a cellZone)
+//
+//    // Select based on cellSet
+//    source setToCellZone;
+//    sourceInfo
+//    {
+//        set c0;           // name of cellSet
+//    }
+//
+//
+//
+// faceZoneSet
+// ~~~~~~~~~~~
+//    // Select based on faceSet without orientation
+//    source setToFaceZone;
+//    sourceInfo
+//    {
+//        faceSet f0;       // name of faceSet
+//    }
+//
+//    // Select based on faceSet, using cellSet to determine orientation
+//    source setsToFaceZone;
+//    sourceInfo
+//    {
+//        faceSet f0;       // name of faceSet
+//        cellSet c0;       // name of cellSet of slave side
+//        flip    false;    // optional: flip the faceZone (so now the cellSet
+//                          //           is the master side)
+//    }
+//
+//    // Select based on surface. Orientation from normals on surface
+//    {
+//        name    fz0;
+//        type    faceZoneSet;
+//        action  new;
+//        source  searchableSurfaceToFaceZone;
+//        sourceInfo
+//        {
+//            surface searchableSphere;
+//            centre  (0.05 0.05 0.005);
+//            radius  0.025;
+//            //name  sphere.stl; // Optional name if surface triSurfaceMesh
+//        }
+//    }
+//
+//
+//
+// pointZoneSet
+// ~~~~~~~~~~~~
+// (mirrors operations on a pointSet into a pointZone)
+//
+//    // Select based on pointSet
+//    source setToPointZone;
+//    sourceInfo
+//    {
+//        set p0;           // name of pointSet
+//    }
+//
+//
+//
+
+actions
+(
+    // Example:pick up internal faces on outside of cellSet
+    // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+    // Load initial cellSet
+    {
+        name    ignitionCells;
+        type    cellZoneSet;
+        action  new;
+        source boxToCell;
+        sourceInfo
+        {
+            box (0.0075 0.0 -1) (0.0085 0.001 1);
+        }
+    }
+
+);
+
+// ************************************************************************* //