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Add notebook illustrating conversion of CHEMKIN files via ck2yaml
CHEMKIN input corresponds to input files distributed with Cantera 2.4, but have been removed from Cantera 2.5 (which only ships YAML input).
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,20 @@ | ||
| ELEMENTS | ||
| O N AR | ||
| END | ||
| SPECIES | ||
| O O2 N NO NO2 N2O N2 AR | ||
| END | ||
| REACTIONS | ||
| 2O+M<=>O2+M 1.200E+17 -1.000 .00 | ||
| AR/.83/ | ||
| N+NO<=>N2+O 2.700E+13 .000 355.00 | ||
| N+O2<=>NO+O 9.000E+09 1.000 6500.00 | ||
| N2O+O<=>N2+O2 1.400E+12 .000 10810.00 | ||
| N2O+O<=>2NO 2.900E+13 .000 23150.00 | ||
| N2O(+M)<=>N2+O(+M) 7.910E+10 .000 56020.00 | ||
| LOW / 6.370E+14 .000 56640.00/ | ||
| AR/ .625/ | ||
| NO+O+M<=>NO2+M 1.060E+20 -1.410 .00 | ||
| AR/ .70/ | ||
| NO2+O<=>NO+O2 3.900E+12 .000 -240.00 | ||
| END |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,131 @@ | ||
| ! | ||
| ! McBride, B. J. Zehe, M. J., Gordon, S. "Nasa Glenn coefficients for Calculating | ||
| ! Thermodynamic Properties of Individual Species," NASA TP2002-211556, | ||
| ! September, 2002. | ||
| ! | ||
| thermo NASA9 | ||
| 200.00 1000.00 6000.00 20000. 3/19/02 | ||
| e- Ref-Species. Chase,1998 3/82. | ||
| 3 g12/98 E 1.00 0.00 0.00 0.00 0.00 0.000548579903 0.000 | ||
| 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 | ||
| 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 | ||
| 0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 | ||
| 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 | ||
| 0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 | ||
| 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 | ||
| 0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01 | ||
| N Hf:Cox,1989. Moore,1975. Gordon,1999. | ||
| 3 g 5/97 N 1.00 0.00 0.00 0.00 0.00 0 14.0067000 472680.000 | ||
| 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 | ||
| 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 | ||
| 0.000000000D+00 0.000000000D+00 5.610463780D+04 4.193905036D+00 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 | ||
| 8.876501380D+04-1.071231500D+02 2.362188287D+00 2.916720081D-04-1.729515100D-07 | ||
| 4.012657880D-11-2.677227571D-15 5.697351330D+04 4.865231506D+00 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 | ||
| 5.475181050D+08-3.107574980D+05 6.916782740D+01-6.847988130D-03 3.827572400D-07 | ||
| -1.098367709D-11 1.277986024D-16 2.550585618D+06-5.848769753D+02 | ||
| N+ Moore,1975. Gordon,1999. | ||
| 3 g 6/97 N 1.00E -1.00 0.00 0.00 0.00 0 14.0061514 1882127.624 | ||
| 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7116.524 | ||
| 5.237079210D+03 2.299958315D+00 2.487488821D+00 2.737490756D-05-3.134447576D-08 | ||
| 1.850111332D-11-4.447350984D-15 2.256284738D+05 5.076830786D+00 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7116.524 | ||
| 2.904970374D+05-8.557908610D+02 3.477389290D+00-5.288267190D-04 1.352350307D-07 | ||
| -1.389834122D-11 5.046166279D-16 2.310809984D+05-1.994146545D+00 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7116.524 | ||
| 1.646092148D+07-1.113165218D+04 4.976986640D+00-2.005393583D-04 1.022481356D-08 | ||
| -2.691430863D-13 3.539931593D-18 3.136284696D+05-1.706646380D+01 | ||
| NO Gurvich,1978,1989 pt1 p326 pt2 p203. | ||
| 3 tpis89 N 1.00O 1.00 0.00 0.00 0.00 0 30.0061000 91271.310 | ||
| 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9179.110 | ||
| -1.143916503D+04 1.536467592D+02 3.431468730D+00-2.668592368D-03 8.481399120D-06 | ||
| -7.685111050D-09 2.386797655D-12 9.098214410D+03 6.728725490D+00 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9179.110 | ||
| 2.239018716D+05-1.289651623D+03 5.433936030D+00-3.656034900D-04 9.880966450D-08 | ||
| -1.416076856D-11 9.380184620D-16 1.750317656D+04-8.501669090D+00 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9179.110 | ||
| -9.575303540D+08 5.912434480D+05-1.384566826D+02 1.694339403D-02-1.007351096D-06 | ||
| 2.912584076D-11-3.295109350D-16 -4.677501240D+06 1.242081216D+03 | ||
| NO+ Cp,S,IP(NO): Gurvich,1989 pt1 p330 pt2 p205. | ||
| 3 g 5/99 N 1.00O 1.00E -1.00 0.00 0.00 0 30.0055514 990809.704 | ||
| 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104 | ||
| 1.398106635D+03-1.590446941D+02 5.122895400D+00-6.394388620D-03 1.123918342D-05 | ||
| -7.988581260D-09 2.107383677D-12 1.187495132D+05-4.398433810D+00 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104 | ||
| 6.069876900D+05-2.278395427D+03 6.080324670D+00-6.066847580D-04 1.432002611D-07 | ||
| -1.747990522D-11 8.935014060D-16 1.322709615D+05-1.519880037D+01 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104 | ||
| 2.676400347D+09-1.832948690D+06 5.099249390D+02-7.113819280D-02 5.317659880D-06 | ||
| -1.963208212D-10 2.805268230D-15 1.443308939D+07-4.324044462D+03 | ||
| N2 Ref-Elm. Gurvich,1978 pt1 p280 pt2 p207. | ||
| 3 tpis78 N 2.00 0.00 0.00 0.00 0.00 0 28.0134000 0.000 | ||
| 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104 | ||
| 2.210371497D+04-3.818461820D+02 6.082738360D+00-8.530914410D-03 1.384646189D-05 | ||
| -9.625793620D-09 2.519705809D-12 7.108460860D+02-1.076003744D+01 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104 | ||
| 5.877124060D+05-2.239249073D+03 6.066949220D+00-6.139685500D-04 1.491806679D-07 | ||
| -1.923105485D-11 1.061954386D-15 1.283210415D+04-1.586640027D+01 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104 | ||
| 8.310139160D+08-6.420733540D+05 2.020264635D+02-3.065092046D-02 2.486903333D-06 | ||
| -9.705954110D-11 1.437538881D-15 4.938707040D+06-1.672099740D+03 | ||
| N2+ Gurvich,1989 pt1 p323 pt2 p200. | ||
| 3 tpis89 N 2.00E -1.00 0.00 0.00 0.00 0 28.0128514 1509508.424 | ||
| 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.100 | ||
| -3.474047470D+04 2.696222703D+02 3.164916370D+00-2.132239781D-03 6.730476400D-06 | ||
| -5.637304970D-09 1.621756000D-12 1.790004424D+05 6.832974166D+00 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.100 | ||
| -2.845599002D+06 7.058893030D+03-2.884886385D+00 3.068677059D-03-4.361652310D-07 | ||
| 2.102514545D-11 5.411996470D-16 1.340388483D+05 5.090897022D+01 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.100 | ||
| -3.712829770D+08 3.139287234D+05-9.603518050D+01 1.571193286D-02-1.175065525D-06 | ||
| 4.144441230D-11-5.621893090D-16 -2.217361867D+06 8.436270947D+02 | ||
| O D0(O2):Brix,1954. Moore,1976. Gordon,1999. | ||
| 3 g 5/97 O 1.00 0.00 0.00 0.00 0.00 0 15.9994000 249175.003 | ||
| 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6725.403 | ||
| -7.953611300D+03 1.607177787D+02 1.966226438D+00 1.013670310D-03-1.110415423D-06 | ||
| 6.517507500D-10-1.584779251D-13 2.840362437D+04 8.404241820D+00 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6725.403 | ||
| 2.619020262D+05-7.298722030D+02 3.317177270D+00-4.281334360D-04 1.036104594D-07 | ||
| -9.438304330D-12 2.725038297D-16 3.392428060D+04-6.679585350D-01 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6725.403 | ||
| 1.779004264D+08-1.082328257D+05 2.810778365D+01-2.975232262D-03 1.854997534D-07 | ||
| -5.796231540D-12 7.191720164D-17 8.890942630D+05-2.181728151D+02 | ||
| O+ Martin,W.C.,1993. Gordon,1999. | ||
| 3 g 8/97 O 1.00E -1.00 0.00 0.00 0.00 0 15.9988514 1568787.228 | ||
| 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 | ||
| 0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00 | ||
| 0.000000000D+00 0.000000000D+00 1.879352842D+05 4.393376760D+00 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 | ||
| -2.166513208D+05 6.665456150D+02 1.702064364D+00 4.714992810D-04-1.427131823D-07 | ||
| 2.016595903D-11-9.107157762D-16 1.837191966D+05 1.005690382D+01 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428 | ||
| -2.143835383D+08 1.469518523D+05-3.680864540D+01 5.036164540D-03-3.087873854D-07 | ||
| 9.186834870D-12-1.074163268D-16 -9.614208960D+05 3.426193080D+02 | ||
| O2 Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9. | ||
| 3 tpis89 O 2.00 0.00 0.00 0.00 0.00 0 31.9988000 0.000 | ||
| 200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.104 | ||
| -3.425563420D+04 4.847000970D+02 1.119010961D+00 4.293889240D-03-6.836300520D-07 | ||
| -2.023372700D-09 1.039040018D-12 -3.391454870D+03 1.849699470D+01 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.104 | ||
| -1.037939022D+06 2.344830282D+03 1.819732036D+00 1.267847582D-03-2.188067988D-07 | ||
| 2.053719572D-11-8.193467050D-16 -1.689010929D+04 1.738716506D+01 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.104 | ||
| 4.975294300D+08-2.866106874D+05 6.690352250D+01-6.169959020D-03 3.016396027D-07 | ||
| -7.421416600D-12 7.278175770D-17 2.293554027D+06-5.530621610D+02 | ||
| O2+ Gurvich,1989 pt1 p98 pt2 p11. | ||
| 3 tpis89 O 2.00E -1.00 0.00 0.00 0.00 0 31.9982514 1171828.436 | ||
| 298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9311.112 | ||
| -8.607205450D+04 1.051875934D+03-5.432380470D-01 6.571166540D-03-3.274263750D-06 | ||
| 5.940645340D-11 3.238784790D-13 1.345544668D+05 2.902709750D+01 | ||
| 1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9311.112 | ||
| 7.384654880D+04-8.459559540D+02 4.985164160D+00-1.611010890D-04 6.427083990D-08 | ||
| -1.504939874D-11 1.578465409D-15 1.446321044D+05-5.811230650D+00 | ||
| 6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9311.112 | ||
| -1.562125524D+09 1.161406778D+06-3.302504720D+02 4.710937520D-02-3.354461380D-06 | ||
| 1.167968599D-10-1.589754791D-15 -8.857866270D+06 2.852035602D+03 | ||
| END | ||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,10 @@ | ||
| ! | ||
| ! | ||
| ! | ||
| ! | ||
| ELEMENTS | ||
| O N E | ||
| END | ||
| SPECIES | ||
| N2 O2 NO N O N2+ O2+ NO+ N+ O+ e- | ||
| END |
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|---|---|---|
| @@ -0,0 +1,3 @@ | ||
| description: |- | ||
| Ideal gas properties of air. Includes several reactions among | ||
| the included species. |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,8 @@ | ||
| ELEMENTS | ||
| AR | ||
| END | ||
| SPECIES | ||
| AR | ||
| END | ||
| REACTIONS | ||
| END |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,3 @@ | ||
| description: >- | ||
| Pure argon phase. Thermo and transport properties are taken | ||
| from GRI-Mech 3.0. |
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