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methane-air 2-step mechanism and converted some global mechanisms

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This commit is contained in:
Yeongdo Park 2018-11-10 11:51:02 -05:00
parent 5f9936a9e9
commit c074ebd710
7 changed files with 1469 additions and 0 deletions
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1011
methane-air-2step-BFER/2S_CH4_BFER.cti Normal file
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31
methane-air-2step-BFER/reactions Normal file
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species
6
(
O2
H2O
CH4
CO
CO2
N2
)
;
reactions
{
un-named-reaction-0
{
type irreversibleArrheniusReaction;
reaction "CH4^0.5 + 1.5O2^0.65 = CO + 2H2O";
A 1.73859e+09;
beta 0;
Ta 17864.3;
}
un-named-reaction-1
{
type reversibleArrheniusReaction;
reaction "CO + 0.5O2 = CO2";
A 6.32456e+06;
beta 0.7;
Ta 6038.63;
}
}

132
methane-air-2step-BFER/thermos Normal file
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O2
{
specie
{
nMoles 1;
molWeight 31.9988;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 1.79314e-06;
Ts 151.628;
}
}
H2O
{
specie
{
nMoles 1;
molWeight 18.0153;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 2.06683e-06;
Ts 765.847;
}
}
CH4
{
specie
{
nMoles 1;
molWeight 16.0428;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 1.0545e-06;
Ts 179.429;
}
}
CO
{
specie
{
nMoles 1;
molWeight 28.0104;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 1.52163e-06;
Ts 144.902;
}
}
CO2
{
specie
{
nMoles 1;
molWeight 44.0098;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 1.68307e-06;
Ts 280.29;
}
}
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 1.548e-06;
Ts 144.509;
}
}

22
propane-air-ctis/1step/reactions Normal file
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species
5
(
C3H8
O2
CO2
H2O
N2
)
;
reactions
{
un-named-reaction-0
{
type irreversibleArrheniusReaction;
reaction "C3H8^0.856 + 5O2^0.503 = 3CO2 + 4H2O";
A 2.75686e+09;
beta 0;
Ta 15663.1;
}
}

110
propane-air-ctis/1step/thermos Normal file
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C3H8
{
specie
{
nMoles 1;
molWeight 44.0965;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 7.5341368000E+00 1.8872239000E-02 -6.2718491000E-06 9.1475649000E-10 -4.7838069000E-14 -1.6467516000E+04 -1.7892349000E+01 );
lowCpCoeffs ( 9.3355381000E-01 2.6424579000E-02 6.1059727000E-06 -2.1977499000E-08 9.5149253000E-12 -1.3958520000E+04 1.9201691000E+01 );
}
transport
{
As 9.56968e-07;
Ts 303.812;
}
}
O2
{
specie
{
nMoles 1;
molWeight 31.9988;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 1.79314e-06;
Ts 151.628;
}
}
CO2
{
specie
{
nMoles 1;
molWeight 44.0098;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 1.68307e-06;
Ts 280.29;
}
}
H2O
{
specie
{
nMoles 1;
molWeight 18.0153;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 2.06683e-06;
Ts 765.847;
}
}
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 1.548e-06;
Ts 144.509;
}
}

31
propane-air-ctis/2step/reactions Normal file
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species
6
(
CO
C3H8
CO2
H2O
N2
O2
)
;
reactions
{
un-named-reaction-0
{
type irreversibleArrheniusReaction;
reaction "C3H8^0.8 + 3.5O2^0.86 = 3CO + 4H2O";
A 6.09764e+10;
beta 0;
Ta 17109.5;
}
un-named-reaction-1
{
type reversibleArrheniusReaction;
reaction "CO + 0.5O2 = CO2";
A 6.32456e+07;
beta 0;
Ta 6038.63;
}
}

132
propane-air-ctis/2step/thermos Normal file
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CO
{
specie
{
nMoles 1;
molWeight 28.0104;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 1.52163e-06;
Ts 144.902;
}
}
C3H8
{
specie
{
nMoles 1;
molWeight 44.0965;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 7.5341368000E+00 1.8872239000E-02 -6.2718491000E-06 9.1475649000E-10 -4.7838069000E-14 -1.6467516000E+04 -1.7892349000E+01 );
lowCpCoeffs ( 9.3355381000E-01 2.6424579000E-02 6.1059727000E-06 -2.1977499000E-08 9.5149253000E-12 -1.3958520000E+04 1.9201691000E+01 );
}
transport
{
As 9.56968e-07;
Ts 303.812;
}
}
CO2
{
specie
{
nMoles 1;
molWeight 44.0098;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 1.68307e-06;
Ts 280.29;
}
}
H2O
{
specie
{
nMoles 1;
molWeight 18.0153;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 2.06683e-06;
Ts 765.847;
}
}
N2
{
specie
{
nMoles 1;
molWeight 28.0135;
nCharges 0;
}
thermodynamics
{
Tlow 300;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.9266400000E+00 1.4879800000E-03 -5.6848000000E-07 1.0097000000E-10 -6.7500000000E-15 -9.2280000000E+02 5.9810000000E+00 );
lowCpCoeffs ( 3.2986800000E+00 1.4082400000E-03 -3.9632200000E-06 5.6415100000E-09 -2.4448500000E-12 -1.0209000000E+03 3.9500000000E+00 );
}
transport
{
As 1.548e-06;
Ts 144.509;
}
}
O2
{
specie
{
nMoles 1;
molWeight 31.9988;
nCharges 0;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
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 1.79314e-06;
Ts 151.628;
}
}