reaction-mechanisms/UCSD/thermos

1276 lines
37 KiB
Text

N2
{
specie
{
nMoles 1;
molWeight 28.0135;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.9266400000E+00 1.4879768000E-03 -5.6847600000E-07 1.0097038000E-10 -6.7533510000E-15 -9.2279770000E+02 5.9805280000E+00 );
lowCpCoeffs ( 3.2986770000E+00 1.4082404000E-03 -3.9632220000E-06 5.6415150000E-09 -2.4448540000E-12 -1.0208999000E+03 3.9503720000E+00 );
}
transport
{
As 1.52893e-06;
Ts 139.283;
}
}
AR
{
specie
{
nMoles 1;
molWeight 39.948;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.5000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -7.4537500000E+02 4.3660000000E+00 );
lowCpCoeffs ( 2.5000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -7.4537500000E+02 4.3660000000E+00 );
}
transport
{
As 2.09517e-06;
Ts 170.441;
}
}
HE
{
specie
{
nMoles 1;
molWeight 4.0026;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.5000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -7.4537500000E+02 9.2872397400E-01 );
lowCpCoeffs ( 2.5000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -7.4537500000E+02 9.2872397400E-01 );
}
transport
{
As 1.54478e-06;
Ts 104.769;
}
}
H
{
specie
{
nMoles 1;
molWeight 1.00794;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.5000000100E+00 -2.3084297300E-11 1.6156194800E-14 -4.7351523500E-18 4.9819735700E-22 2.5473659900E+04 -4.4668291400E-01 );
lowCpCoeffs ( 2.5000000000E+00 7.0533281900E-13 -1.9959196400E-15 2.3008163200E-18 -9.2773233200E-22 2.5473659900E+04 -4.4668285300E-01 );
}
transport
{
As 8.74233e-07;
Ts 177.95;
}
}
O2
{
specie
{
nMoles 1;
molWeight 31.9988;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 3.2825378400E+00 1.4830875400E-03 -7.5796666900E-07 2.0947055500E-10 -2.1671779400E-14 -1.0884577200E+03 5.4532312900E+00 );
lowCpCoeffs ( 3.7824563600E+00 -2.9967341600E-03 9.8473020100E-06 -9.6812950900E-09 3.2437283700E-12 -1.0639435600E+03 3.6576757300E+00 );
}
transport
{
As 1.77488e-06;
Ts 146.524;
}
}
OH
{
specie
{
nMoles 1;
molWeight 17.0073;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.8647288600E+00 1.0565044800E-03 -2.5908275800E-07 3.0521867400E-11 -1.3319587600E-15 3.7188577400E+03 5.7016407300E+00 );
lowCpCoeffs ( 4.1253056100E+00 -3.2254493900E-03 6.5276469100E-06 -5.7985364300E-09 2.0623737900E-12 3.3815381200E+03 -6.9043296000E-01 );
}
transport
{
As 2.11011e-06;
Ts 127.828;
}
}
O
{
specie
{
nMoles 1;
molWeight 15.9994;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.5694207800E+00 -8.5974113700E-05 4.1948458900E-08 -1.0017779900E-11 1.2283369100E-15 2.9217579100E+04 4.7843386400E+00 );
lowCpCoeffs ( 3.1682671000E+00 -3.2793188400E-03 6.6430639600E-06 -6.1280662400E-09 2.1126597100E-12 2.9122259200E+04 2.0519334600E+00 );
}
transport
{
As 2.04663e-06;
Ts 127.828;
}
}
H2
{
specie
{
nMoles 1;
molWeight 2.01588;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 3.3372792000E+00 -4.9402473100E-05 4.9945677800E-07 -1.7956639400E-10 2.0025537600E-14 -9.5015892200E+02 -3.2050233100E+00 );
lowCpCoeffs ( 2.3443311200E+00 7.9805207500E-03 -1.9478151000E-05 2.0157209400E-08 -7.3761176100E-12 -9.1793517300E+02 6.8301023800E-01 );
}
transport
{
As 7.0848e-07;
Ts 109.045;
}
}
H2O
{
specie
{
nMoles 1;
molWeight 18.0153;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 3.0339924900E+00 2.1769180400E-03 -1.6407251800E-07 -9.7041987000E-11 1.6820099200E-14 -3.0004297100E+04 4.9667701000E+00 );
lowCpCoeffs ( 4.1986405600E+00 -2.0364341000E-03 6.5204021100E-06 -5.4879706200E-09 1.7719781700E-12 -3.0293726700E+04 -8.4903220800E-01 );
}
transport
{
As 2.02409e-06;
Ts 745.739;
}
}
HO2
{
specie
{
nMoles 1;
molWeight 33.0067;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 4.0172109000E+00 2.2398201300E-03 -6.3365815000E-07 1.1424637000E-10 -1.0790853500E-14 1.1185671300E+02 3.7851021500E+00 );
lowCpCoeffs ( 4.3017980100E+00 -4.7491205100E-03 2.1158289100E-05 -2.4276389400E-08 9.2922512400E-12 2.9480804000E+02 3.7166624500E+00 );
}
transport
{
As 1.80261e-06;
Ts 146.524;
}
}
H2O2
{
specie
{
nMoles 1;
molWeight 34.0147;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 4.1650028500E+00 4.9083169400E-03 -1.9013922500E-06 3.7118598600E-10 -2.8790830500E-14 -1.7861787700E+04 2.9161566200E+00 );
lowCpCoeffs ( 4.2761126900E+00 -5.4282241700E-04 1.6733570100E-05 -2.1577081300E-08 8.6245436300E-12 -1.7702582100E+04 3.4350507400E+00 );
}
transport
{
As 1.82993e-06;
Ts 146.524;
}
}
CO
{
specie
{
nMoles 1;
molWeight 28.0104;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.7151856100E+00 2.0625274300E-03 -9.9882577100E-07 2.3005300800E-10 -2.0364771600E-14 -1.4151872400E+04 7.8186877200E+00 );
lowCpCoeffs ( 3.5795334700E+00 -6.1035368000E-04 1.0168143300E-06 9.0700588400E-10 -9.0442449900E-13 -1.4344086000E+04 3.5084092800E+00 );
}
transport
{
As 1.50375e-06;
Ts 139.68;
}
}
CO2
{
specie
{
nMoles 1;
molWeight 44.0098;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 3.8574602900E+00 4.4143702600E-03 -2.2148140400E-06 5.2349018800E-10 -4.7208416400E-14 -4.8759166000E+04 2.2716380600E+00 );
lowCpCoeffs ( 2.3567735200E+00 8.9845967700E-03 -7.1235626900E-06 2.4591902200E-09 -1.4369954800E-13 -4.8371969700E+04 9.9010522200E+00 );
}
transport
{
As 1.67089e-06;
Ts 276.956;
}
}
HCO
{
specie
{
nMoles 1;
molWeight 29.0183;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.7721743800E+00 4.9569552600E-03 -2.4844561300E-06 5.8916177800E-10 -5.3350871100E-14 4.0119181500E+03 9.7983449200E+00 );
lowCpCoeffs ( 4.2211858400E+00 -3.2439253200E-03 1.3779944600E-05 -1.3314409300E-08 4.3376886500E-12 3.8395649600E+03 3.3943724300E+00 );
}
transport
{
As 1.41754e-06;
Ts 492.739;
}
}
CH3
{
specie
{
nMoles 1;
molWeight 15.0348;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.2857177200E+00 7.2399003700E-03 -2.9871434800E-06 5.9568464400E-10 -4.6715439400E-14 1.6775584300E+04 8.4800717900E+00 );
lowCpCoeffs ( 3.6735904000E+00 2.0109517500E-03 5.7302185600E-06 -6.8711742500E-09 2.5438573400E-12 1.6444998800E+04 1.6045643300E+00 );
}
transport
{
As 9.83143e-07;
Ts 177.057;
}
}
CH4
{
specie
{
nMoles 1;
molWeight 16.0428;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 7.4851495000E-02 1.3390946700E-02 -5.7328580900E-06 1.2229253500E-09 -1.0181523000E-13 -9.4683445900E+03 1.8437318000E+01 );
lowCpCoeffs ( 5.1498761300E+00 -1.3670978800E-02 4.9180059900E-05 -4.8474302600E-08 1.6669395600E-11 -1.0246647600E+04 -4.6413037600E+00 );
}
transport
{
As 1.04644e-06;
Ts 174.74;
}
}
CH2O
{
specie
{
nMoles 1;
molWeight 30.0263;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 1.7606900800E+00 9.2000008200E-03 -4.4225881300E-06 1.0064121200E-09 -8.8385564000E-14 -1.3995832300E+04 1.3656323000E+01 );
lowCpCoeffs ( 4.7937231500E+00 -9.9083336900E-03 3.7322000800E-05 -3.7928526100E-08 1.3177265200E-11 -1.4308956700E+04 6.0281290000E-01 );
}
transport
{
As 1.44195e-06;
Ts 492.739;
}
}
T-CH2
{
specie
{
nMoles 1;
molWeight 14.0269;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.8741011300E+00 3.6563929200E-03 -1.4089459700E-06 2.6017954900E-10 -1.8772756700E-14 4.6263604000E+04 6.1711932400E+00 );
lowCpCoeffs ( 3.7626786700E+00 9.6887214300E-04 2.7948984100E-06 -3.8509115300E-09 1.6874171900E-12 4.6004040100E+04 1.5625318500E+00 );
}
transport
{
As 9.49616e-07;
Ts 177.057;
}
}
S-CH2
{
specie
{
nMoles 1;
molWeight 14.0269;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.2920384200E+00 4.6558863700E-03 -2.0119194700E-06 4.1790600000E-10 -3.3971636500E-14 5.0925999700E+04 8.6265016900E+00 );
lowCpCoeffs ( 4.1986041100E+00 -2.3666141900E-03 8.2329622000E-06 -6.6881598100E-09 1.9431473700E-12 5.0496816300E+04 -7.6911896700E-01 );
}
transport
{
As 9.49616e-07;
Ts 177.057;
}
}
C2H4
{
specie
{
nMoles 1;
molWeight 28.0538;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.0361111600E+00 1.4645415100E-02 -6.7107791500E-06 1.4722292300E-09 -1.2570606100E-13 4.9398861400E+03 1.0305369300E+01 );
lowCpCoeffs ( 3.9592014800E+00 -7.5705224700E-03 5.7099029200E-05 -6.9158875300E-08 2.6988437300E-11 5.0897759300E+03 4.0973309600E+00 );
}
transport
{
As 1.54682e-06;
Ts 271.119;
}
}
CH3O
{
specie
{
nMoles 1;
molWeight 31.0342;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 4.7577923800E+00 7.4414247400E-03 -2.6970517600E-06 4.3809050400E-10 -2.6353709800E-14 3.9013916400E+02 -1.9668002800E+00 );
lowCpCoeffs ( 3.7118050200E+00 -2.8046330600E-03 3.7655097100E-05 -4.7307208900E-08 1.8658842000E-11 1.3077248400E+03 6.5724086400E+00 );
}
transport
{
As 1.39549e-06;
Ts 444.65;
}
}
C2H5
{
specie
{
nMoles 1;
molWeight 29.0617;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 1.9546564200E+00 1.7397272200E-02 -7.9820666800E-06 1.7521768900E-09 -1.4964157600E-13 1.2857520000E+04 1.3462434300E+01 );
lowCpCoeffs ( 4.3064656800E+00 -4.1865889200E-03 4.9714280700E-05 -5.9912660600E-08 2.3050900400E-11 1.2841626500E+04 4.7072092400E+00 );
}
transport
{
As 1.01558e-06;
Ts 280.601;
}
}
C2H6
{
specie
{
nMoles 1;
molWeight 30.0696;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 1.0718815000E+00 2.1685267700E-02 -1.0025606700E-05 2.2141200100E-09 -1.9000289000E-13 -1.1426393200E+04 1.5115610700E+01 );
lowCpCoeffs ( 4.2914249200E+00 -5.5015427000E-03 5.9943828800E-05 -7.0846628500E-08 2.6868577100E-11 -1.1522205500E+04 2.6668231600E+00 );
}
transport
{
As 1.03305e-06;
Ts 280.601;
}
}
CH
{
specie
{
nMoles 1;
molWeight 13.0189;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.8784647300E+00 9.7091368100E-04 1.4444565500E-07 -1.3068784900E-10 1.7607938300E-14 7.1012436400E+04 5.4849799900E+00 );
lowCpCoeffs ( 3.4898166500E+00 3.2383554100E-04 -1.6889906500E-06 3.1621732700E-09 -1.4060906700E-12 7.0797293400E+04 2.0840110800E+00 );
}
transport
{
As 1.84618e-06;
Ts 127.828;
}
}
C2H2
{
specie
{
nMoles 1;
molWeight 26.0379;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 4.1475696400E+00 5.9616666400E-03 -2.3729485200E-06 4.6741217100E-10 -3.6123521300E-14 2.5935999200E+04 -1.2302812100E+00 );
lowCpCoeffs ( 8.0868109400E-01 2.3361562900E-02 -3.5517181500E-05 2.8015243700E-08 -8.5007297400E-12 2.6428980700E+04 1.3939705100E+01 );
}
transport
{
As 1.31081e-06;
Ts 299.164;
}
}
C2H4OOH
{
specie
{
nMoles 1;
molWeight 61.0605;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 1.1625866600E+01 1.0082634600E-02 -3.4793436200E-06 5.4339422000E-10 -3.1656929400E-14 -9.1056826700E+02 -3.1852290200E+01 );
lowCpCoeffs ( 8.1323780100E-01 3.9006340000E-02 -3.4064385500E-05 1.5506622600E-08 -2.8406984000E-12 2.5078578700E+03 2.4968445900E+01 );
}
transport
{
As 1.37412e-06;
Ts 476.302;
}
}
OC2H3OOH
{
specie
{
nMoles 1;
molWeight 76.052;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 1.2406433900E+01 9.4723378400E-03 -3.2810792800E-06 5.1377221100E-10 -2.9987280300E-14 -3.4912314200E+04 -3.3947987400E+01 );
lowCpCoeffs ( 5.5238254600E+00 2.4206830600E-02 -1.5289897400E-05 5.0172836200E-09 -6.9640635800E-13 -3.2340678900E+04 3.5724064500E+00 );
}
transport
{
As 1.53356e-06;
Ts 476.302;
}
}
C2H3
{
specie
{
nMoles 1;
molWeight 27.0458;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 3.0167240000E+00 1.0330229200E-02 -4.6808234900E-06 1.0176328800E-09 -8.6260704100E-14 3.4612873900E+04 7.7873237800E+00 );
lowCpCoeffs ( 3.2124664500E+00 1.5147916200E-03 2.5920941200E-05 -3.5765784700E-08 1.4715087300E-11 3.4859846800E+04 8.5105402500E+00 );
}
transport
{
As 1.33594e-06;
Ts 299.164;
}
}
CH2CHO
{
specie
{
nMoles 1;
molWeight 43.0452;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 5.1662006000E+00 1.0847826000E-02 -4.4658368000E-06 8.0628548000E-10 -4.8410193000E-14 -7.3199347000E+02 -1.9633361000E+00 );
lowCpCoeffs ( 1.0134001000E+00 2.2681467000E-02 -1.5733944000E-05 4.0491503000E-09 2.9599012000E-13 3.8042853000E+02 1.9356552000E+01 );
}
transport
{
As 1.43746e-06;
Ts 453.172;
}
}
C2H4O
{
specie
{
nMoles 1;
molWeight 44.0532;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 5.4041108000E+00 1.1723059000E-02 -4.2263137000E-06 6.8372451000E-10 -4.0984863000E-14 -2.2593122000E+04 -3.4807917000E+00 );
lowCpCoeffs ( 4.7294595000E+00 -3.1932858000E-03 4.7534921000E-05 -5.7458611000E-08 2.1931112000E-11 -2.1572878000E+04 4.1030159000E+00 );
}
transport
{
As 1.4542e-06;
Ts 453.172;
}
}
HCCO
{
specie
{
nMoles 1;
molWeight 41.0293;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 5.6282058000E+00 4.0853401000E-03 -1.5934547000E-06 2.8626052000E-10 -1.9407832000E-14 1.9327215000E+04 -3.9302595000E+00 );
lowCpCoeffs ( 2.2517214000E+00 1.7655021000E-02 -2.3729101000E-05 1.7275759000E-08 -5.0664811000E-12 2.0059449000E+04 1.2490417000E+01 );
}
transport
{
As 3.74144e-06;
Ts 182.436;
}
}
CH2CO
{
specie
{
nMoles 1;
molWeight 42.0373;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 4.5112973200E+00 9.0035974500E-03 -4.1693963500E-06 9.2334588200E-10 -7.9483820100E-14 -7.5510531100E+03 6.3224720500E-01 );
lowCpCoeffs ( 2.1358363000E+00 1.8118872100E-02 -1.7394747400E-05 9.3439756800E-09 -2.0145761500E-12 -7.0429180400E+03 1.2215648000E+01 );
}
transport
{
As 1.42053e-06;
Ts 453.172;
}
}
C2H
{
specie
{
nMoles 1;
molWeight 25.0299;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 3.1678065200E+00 4.7522190200E-03 -1.8378707700E-06 3.0419025200E-10 -1.7723277000E-14 6.7121065000E+04 6.6358947500E+00 );
lowCpCoeffs ( 2.8896573300E+00 1.3409961100E-02 -2.8476950100E-05 2.9479104500E-08 -1.0933151100E-11 6.6839393200E+04 6.2229643800E+00 );
}
transport
{
As 1.28519e-06;
Ts 299.164;
}
}
CH2OH
{
specie
{
nMoles 1;
molWeight 31.0342;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 5.0931203700E+00 5.9475855000E-03 -2.0649652400E-06 3.2300670300E-10 -1.8812505200E-14 -4.0581322800E+03 -1.8469061300E+00 );
lowCpCoeffs ( 4.4783231700E+00 -1.3506968700E-03 2.7848370700E-05 -3.6486739700E-08 1.4790677500E-11 -3.5247672800E+03 3.3091198400E+00 );
}
transport
{
As 1.39549e-06;
Ts 444.65;
}
}
CH3OH
{
specie
{
nMoles 1;
molWeight 32.0422;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 1.7897079100E+00 1.4093829200E-02 -6.3650083500E-06 1.3817108500E-09 -1.1706022000E-13 -2.5374874700E+04 1.4502362300E+01 );
lowCpCoeffs ( 5.7153958200E+00 -1.5230912900E-02 6.5244115500E-05 -7.1080688900E-08 2.6135269800E-11 -2.5642765600E+04 -1.5040982300E+00 );
}
transport
{
As 1.46748e-06;
Ts 483.211;
}
}
CH3CHO
{
specie
{
nMoles 1;
molWeight 44.0532;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 5.4041108000E+00 1.1723059000E-02 -4.2263137000E-06 6.8372451000E-10 -4.0984863000E-14 -2.2593122000E+04 -3.4807917000E+00 );
lowCpCoeffs ( 4.7294595000E+00 -3.1932858000E-03 4.7534921000E-05 -5.7458611000E-08 2.1931112000E-11 -2.1572878000E+04 4.1030159000E+00 );
}
transport
{
As 1.4542e-06;
Ts 453.172;
}
}
CH3CO
{
specie
{
nMoles 1;
molWeight 43.0452;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 5.9447731000E+00 7.8667205000E-03 -2.8865882000E-06 4.7270875000E-10 -2.8599861000E-14 -3.7873075000E+03 -5.0136751000E+00 );
lowCpCoeffs ( 4.1634257000E+00 -2.3261610000E-04 3.4267820000E-05 -4.4105227000E-08 1.7275612000E-11 -2.6574529000E+03 7.3468280000E+00 );
}
transport
{
As 1.43746e-06;
Ts 453.172;
}
}
C2H5OH
{
specie
{
nMoles 1;
molWeight 46.069;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 4.3471712000E+00 1.8628800000E-02 -6.7794670000E-06 8.1659260000E-10 0.0000000000E+00 -3.0661574300E+04 3.2424730400E+00 );
lowCpCoeffs ( 5.7653580000E-01 2.8945120000E-02 -1.6100200000E-05 3.5916410000E-09 0.0000000000E+00 -2.9635950000E+04 2.2708130000E+01 );
}
transport
{
As 1.19357e-06;
Ts 476.302;
}
}
CH2CH2OH
{
specie
{
nMoles 1;
molWeight 45.0611;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 7.5224472600E+00 1.1049271500E-02 -3.7257646500E-06 5.7282739700E-10 -3.3006175900E-14 -7.2933746400E+03 -1.2496075000E+01 );
lowCpCoeffs ( 1.1771471100E+00 2.4811568500E-02 -1.5029950300E-05 4.7900678500E-09 -6.4099421100E-13 -4.9536904300E+03 2.2008158600E+01 );
}
transport
{
As 1.14771e-06;
Ts 394.08;
}
}
CH3CHOH
{
specie
{
nMoles 1;
molWeight 45.0611;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 7.2657030100E+00 1.0958892600E-02 -3.6366280300E-06 5.5365983000E-10 -3.1701232200E-14 -8.6437144100E+03 -1.0682285100E+01 );
lowCpCoeffs ( 1.8397463100E+00 1.8778937100E-02 -4.6054425300E-06 -2.1311699000E-09 9.4377265300E-13 -6.2959519500E+03 2.0144614100E+01 );
}
transport
{
As 1.14771e-06;
Ts 394.08;
}
}
CH3CH2O
{
specie
{
nMoles 1;
molWeight 45.0611;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 8.3118239200E+00 1.0342631900E-02 -3.3918608900E-06 5.1221261700E-10 -2.9160171300E-14 -6.1309795400E+03 -2.1398558100E+01 );
lowCpCoeffs ( -2.7129637800E-01 2.9883981200E-02 -1.9709054800E-05 6.3733989300E-09 -7.7796505400E-13 -3.1639719600E+03 2.4770600300E+01 );
}
transport
{
As 1.18044e-06;
Ts 476.302;
}
}
C3H4
{
specie
{
nMoles 1;
molWeight 40.0648;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 6.3168722000E+00 1.1133728000E-02 -3.9629378000E-06 6.3564238000E-10 -3.7875540000E-14 2.0117495000E+04 -1.0995766000E+01 );
lowCpCoeffs ( 2.6130445000E+00 1.2122575000E-02 1.8539880000E-05 -3.4525149000E-08 1.5335079000E-11 2.1541567000E+04 1.0226139000E+01 );
}
transport
{
As 1.214e-06;
Ts 359.037;
}
}
C3H3
{
specie
{
nMoles 1;
molWeight 39.0568;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 7.1422188000E+00 7.6190200500E-03 -2.6745995000E-06 4.2491480100E-10 -2.5147541500E-14 3.8908742700E+04 -1.2584843600E+01 );
lowCpCoeffs ( 1.3511092700E+00 3.2741122300E-02 -4.7382713500E-05 3.7630980800E-08 -1.1854092300E-11 4.0105778300E+04 1.5205892400E+01 );
}
transport
{
As 1.19863e-06;
Ts 359.037;
}
}
C3H5
{
specie
{
nMoles 1;
molWeight 41.0727;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 6.5007877000E+00 1.4324731000E-02 -5.6781632000E-06 1.1080801000E-09 -9.0363887000E-14 1.7482449000E+04 -1.1243050000E+01 );
lowCpCoeffs ( 1.3631835000E+00 1.9813821000E-02 1.2497060000E-05 -3.3355555000E-08 1.5846571000E-11 1.9245629000E+04 1.7173214000E+01 );
}
transport
{
As 1.27185e-06;
Ts 350.481;
}
}
C3H6
{
specie
{
nMoles 1;
molWeight 42.0806;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 6.7322570000E+00 1.4908340000E-02 -4.9498990000E-06 7.2120220000E-10 -3.7662040000E-14 -9.2357030000E+02 -1.3313350000E+01 );
lowCpCoeffs ( 1.4933070000E+00 2.0925180000E-02 4.4867940000E-06 -1.6689120000E-08 7.1581460000E-12 1.0748260000E+03 1.6145340000E+01 );
}
transport
{
As 1.33903e-06;
Ts 342.379;
}
}
C3H8
{
specie
{
nMoles 1;
molWeight 44.0965;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 7.5244152000E+00 1.8898282000E-02 -6.2921041000E-06 9.2161457000E-10 -4.8684478000E-14 -1.6564394000E+04 -1.7838375000E+01 );
lowCpCoeffs ( 9.2851093000E-01 2.6460566000E-02 6.0332446000E-06 -2.1914953000E-08 9.4961544000E-12 -1.4057907000E+04 1.9225538000E+01 );
}
transport
{
As 1.01604e-06;
Ts 338;
}
}
I-C3H7
{
specie
{
nMoles 1;
molWeight 43.0886;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 6.5192741000E+00 1.7220104000E-02 -5.7364217000E-06 8.4130732000E-10 -4.4565913000E-14 7.3227193000E+03 -9.0830215000E+00 );
lowCpCoeffs ( 1.4449199000E+00 2.0999112000E-02 7.7036222000E-06 -1.8476253000E-08 7.1282962000E-12 9.4223724000E+03 2.0116317000E+01 );
}
transport
{
As 1.00436e-06;
Ts 338;
}
}
N-C3H7
{
specie
{
nMoles 1;
molWeight 43.0886;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 7.7097479000E+00 1.6031485000E-02 -5.2720238000E-06 7.5888352000E-10 -3.8862719000E-14 7.9762236000E+03 -1.5515297000E+01 );
lowCpCoeffs ( 1.0491173000E+00 2.6008973000E-02 2.3542516000E-06 -1.9595132000E-08 9.3720207000E-12 1.0312346000E+04 2.1136034000E+01 );
}
transport
{
As 1.00436e-06;
Ts 338;
}
}
C3H6OOH
{
specie
{
nMoles 1;
molWeight 75.0874;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 1.4613998000E+01 1.4372301500E-02 -4.8863514400E-06 7.5651962000E-10 -4.3836499200E-14 -6.4610145700E+03 -4.5747824500E+01 );
lowCpCoeffs ( 1.9100501100E+00 4.1166683300E-02 -2.5163021700E-05 7.1185687300E-09 -6.9883873200E-13 -1.7930509300E+03 2.3451445700E+01 );
}
transport
{
As 1.26895e-06;
Ts 486.863;
}
}
OC3H5OOH
{
specie
{
nMoles 1;
molWeight 90.0788;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 1.7028527100E+01 1.3071678400E-02 -4.5931085600E-06 7.2613515600E-10 -4.2665833700E-14 -4.1633421700E+04 -5.9251357700E+01 );
lowCpCoeffs ( 7.6893303400E-01 5.4690588000E-02 -4.6507240500E-05 2.0315958500E-08 -3.5839899900E-12 -3.6323886100E+04 2.6829163700E+01 );
}
transport
{
As 1.38987e-06;
Ts 486.863;
}
}
C4H10
{
specie
{
nMoles 1;
molWeight 58.1234;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1392;
highCpCoeffs ( 1.2494018300E+01 2.1772625800E-02 -7.4427221500E-06 1.1548702300E-09 -6.6971294900E-14 -2.1840343700E+04 -4.4555892100E+01 );
lowCpCoeffs ( -4.5575682400E-01 4.8032338900E-02 -2.6549755200E-05 6.9254470000E-09 -6.3831750400E-13 -1.6896090400E+04 2.6487096600E+01 );
}
transport
{
As 9.75969e-07;
Ts 384.543;
}
}
PC4H9
{
specie
{
nMoles 1;
molWeight 57.1155;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1391;
highCpCoeffs ( 1.2077974400E+01 1.9626477800E-02 -6.7130219900E-06 1.0420642400E-09 -6.0446928200E-14 3.2255047300E+03 -3.8771938400E+01 );
lowCpCoeffs ( 3.2073093300E-01 4.3465445400E-02 -2.4058497000E-05 6.2824530800E-09 -5.8011316600E-13 7.7149089300E+03 2.5730108500E+01 );
}
transport
{
As 9.6747e-07;
Ts 384.543;
}
}
SC4H9
{
specie
{
nMoles 1;
molWeight 57.1155;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1381;
highCpCoeffs ( 1.1693430400E+01 1.9640228700E-02 -6.6530651700E-06 1.0263189500E-09 -5.9282629400E-14 1.9638242900E+03 -3.6162667200E+01 );
lowCpCoeffs ( 8.4915998600E-01 3.8208532000E-02 -1.4962679700E-05 2.0449921100E-10 8.2425443700E-13 6.3883295600E+03 2.4446660600E+01 );
}
transport
{
As 9.6747e-07;
Ts 384.543;
}
}
C4H8
{
specie
{
nMoles 1;
molWeight 56.1075;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.0535840000E+00 3.4350500000E-02 -1.5883196000E-05 3.3089660000E-09 -2.5361040000E-13 -2.1397230000E+03 1.5543201000E+01 );
lowCpCoeffs ( 1.1811380000E+00 3.0853380000E-02 5.0865240000E-06 -2.4654880000E-08 1.1110192000E-11 -1.7904000000E+03 2.1062470000E+01 );
}
transport
{
As 1.21704e-06;
Ts 387.262;
}
}
SC4H9O2
{
specie
{
nMoles 1;
molWeight 89.1143;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1389;
highCpCoeffs ( 1.6403113500E+01 2.0936100600E-02 -7.2339301100E-06 1.1305899600E-09 -6.5893866700E-14 -1.8507451700E+04 -5.7733163600E+01 );
lowCpCoeffs ( 1.3268904400E+00 5.6278558300E-02 -4.0171778600E-05 1.5712096700E-08 -2.6294844300E-12 -1.3155705700E+04 2.3406965900E+01 );
}
transport
{
As 1.18476e-06;
Ts 491.591;
}
}
C4H8OOH1-3
{
specie
{
nMoles 1;
molWeight 89.1143;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1377;
highCpCoeffs ( 1.7644217000E+01 1.9170653600E-02 -6.5716864100E-06 1.0224657100E-09 -5.9430473500E-14 -1.0185928000E+04 -6.1711581300E+01 );
lowCpCoeffs ( 1.9410627600E+00 5.1878935100E-02 -3.1041168300E-05 8.6356888100E-09 -8.4284199400E-13 -4.3431596200E+03 2.4023047100E+01 );
}
transport
{
As 1.18476e-06;
Ts 491.591;
}
}
NC4KET13
{
specie
{
nMoles 1;
molWeight 104.106;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1386;
highCpCoeffs ( 1.9643080800E+01 1.8094056600E-02 -6.3306323200E-06 9.9786039900E-10 -5.8507645800E-14 -4.5958885100E+04 -7.1690509400E+01 );
lowCpCoeffs ( 2.7488346100E+00 5.8693674500E-02 -4.4960589500E-05 1.8320013000E-08 -3.1176536900E-12 -4.0106587800E+04 1.8807209000E+01 );
}
transport
{
As 1.03191e-06;
Ts 471.003;
}
}
CHCHO
{
specie
{
nMoles 1;
molWeight 42.0373;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3000;
Tcommon 1000;
highCpCoeffs ( 5.9628794900E+00 7.9989874600E-03 -4.3060564700E-06 1.1107617400E-09 -1.1141502100E-13 2.8725591500E+04 -5.1739249600E+00 );
lowCpCoeffs ( 2.0686369200E+00 1.8723323400E-02 -1.2131894200E-05 -3.3372659500E-10 2.3288176800E-12 2.9739354300E+04 1.4786570600E+01 );
}
transport
{
As 1.42053e-06;
Ts 453.172;
}
}