From 6c051e7acc9cd9ed6b2c4e891de085953347d851 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Wed, 10 Oct 2007 15:14:10 +0000 Subject: [PATCH] Added files for NASA9 parameterization of air up to 20000K. The original data for these is in the thermo directory. --- data/inputs/airNASA9.cti | 202 +++++++++++++++++++++++++ data/inputs/airNASA9.inp | 10 ++ data/inputs/airNASA9.xml | 317 +++++++++++++++++++++++++++++++++++++++ 3 files changed, 529 insertions(+) create mode 100644 data/inputs/airNASA9.cti create mode 100644 data/inputs/airNASA9.inp create mode 100644 data/inputs/airNASA9.xml diff --git a/data/inputs/airNASA9.cti b/data/inputs/airNASA9.cti new file mode 100644 index 000000000..b33a7ccf4 --- /dev/null +++ b/data/inputs/airNASA9.cti @@ -0,0 +1,202 @@ +# +# Generated from file airNASA9.inp +# by ck2cti on Tue Oct 9 09:10:05 2007 +# +units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol") + + +ideal_gas(name = "airNASA9", + elements = " O N E ", + species = """ N2 O2 NO N O N2+ O2+ NO+ N+ O+ + e- """, + reactions = "all", + initial_state = state(temperature = 300.0, + pressure = OneAtm) ) + + + +#------------------------------------------------------------------------------- +# Species data +#------------------------------------------------------------------------------- + +species(name = "N2", + atoms = " N:2 ", + thermo = ( + NASA9( [ 200.00, 1000.00], [ 2.210371497E+04, -3.818461820E+02, 6.082738360E+00, + -8.530914410E-03, 1.384646189E-05, -9.625793620E-09, + 2.519705809E-12, 7.108460860E+02, -1.076003744E+01] ), + NASA9( [ 1000.00, 6000.00], [ 5.877124060E+05, -2.239249073E+03, 6.066949220E+00, + -6.139685500E-04, 1.491806679E-07, -1.923105485E-11, + 1.061954386E-15, 1.283210415E+04, -1.586640027E+01] ), + NASA9( [ 6000.00, 20000.00], [ 8.310139160E+08, -6.420733540E+05, 2.020264635E+02, + -3.065092046E-02, 2.486903333E-06, -9.705954110E-11, + 1.437538881E-15, 4.938707040E+06, -1.672099740E+03] ) + ), + note = " Ref-Elm. Gurvich,1978 pt1 p280 pt2 p207. " + ) + +species(name = "O2", + atoms = " O:2 ", + thermo = ( + NASA9( [ 200.00, 1000.00], [ -3.425563420E+04, 4.847000970E+02, 1.119010961E+00, + 4.293889240E-03, -6.836300520E-07, -2.023372700E-09, + 1.039040018E-12, -3.391454870E+03, 1.849699470E+01] ), + NASA9( [ 1000.00, 6000.00], [ -1.037939022E+06, 2.344830282E+03, 1.819732036E+00, + 1.267847582E-03, -2.188067988E-07, 2.053719572E-11, + -8.193467050E-16, -1.689010929E+04, 1.738716506E+01] ), + NASA9( [ 6000.00, 20000.00], [ 4.975294300E+08, -2.866106874E+05, 6.690352250E+01, + -6.169959020E-03, 3.016396027E-07, -7.421416600E-12, + 7.278175770E-17, 2.293554027E+06, -5.530621610E+02] ) + ), + note = " Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9. " + ) + +species(name = "NO", + atoms = " N:1 O:1 ", + thermo = ( + NASA9( [ 200.00, 1000.00], [ -1.143916503E+04, 1.536467592E+02, 3.431468730E+00, + -2.668592368E-03, 8.481399120E-06, -7.685111050E-09, + 2.386797655E-12, 9.098214410E+03, 6.728725490E+00] ), + NASA9( [ 1000.00, 6000.00], [ 2.239018716E+05, -1.289651623E+03, 5.433936030E+00, + -3.656034900E-04, 9.880966450E-08, -1.416076856E-11, + 9.380184620E-16, 1.750317656E+04, -8.501669090E+00] ), + NASA9( [ 6000.00, 20000.00], [ -9.575303540E+08, 5.912434480E+05, -1.384566826E+02, + 1.694339403E-02, -1.007351096E-06, 2.912584076E-11, + -3.295109350E-16, -4.677501240E+06, 1.242081216E+03] ) + ), + note = " Gurvich,1978,1989 pt1 p326 pt2 p203. " + ) + +species(name = "N", + atoms = " N:1 ", + thermo = ( + NASA9( [ 200.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, 5.610463780E+04, 4.193905036E+00] ), + NASA9( [ 1000.00, 6000.00], [ 8.876501380E+04, -1.071231500E+02, 2.362188287E+00, + 2.916720081E-04, -1.729515100E-07, 4.012657880E-11, + -2.677227571E-15, 5.697351330E+04, 4.865231506E+00] ), + NASA9( [ 6000.00, 20000.00], [ 5.475181050E+08, -3.107574980E+05, 6.916782740E+01, + -6.847988130E-03, 3.827572400E-07, -1.098367709E-11, + 1.277986024E-16, 2.550585618E+06, -5.848769753E+02] ) + ), + note = " Hf:Cox,1989. Moore,1975. Gordon,1999. " + ) + +species(name = "O", + atoms = " O:1 ", + thermo = ( + NASA9( [ 200.00, 1000.00], [ -7.953611300E+03, 1.607177787E+02, 1.966226438E+00, + 1.013670310E-03, -1.110415423E-06, 6.517507500E-10, + -1.584779251E-13, 2.840362437E+04, 8.404241820E+00] ), + NASA9( [ 1000.00, 6000.00], [ 2.619020262E+05, -7.298722030E+02, 3.317177270E+00, + -4.281334360E-04, 1.036104594E-07, -9.438304330E-12, + 2.725038297E-16, 3.392428060E+04, -6.679585350E-01] ), + NASA9( [ 6000.00, 20000.00], [ 1.779004264E+08, -1.082328257E+05, 2.810778365E+01, + -2.975232262E-03, 1.854997534E-07, -5.796231540E-12, + 7.191720164E-17, 8.890942630E+05, -2.181728151E+02] ) + ), + note = " D0(O2):Brix,1954. Moore,1976. Gordon,1999. " + ) + +species(name = "N2+", + atoms = " N:2 E:-1 ", + thermo = ( + NASA9( [ 298.15, 1000.00], [ -3.474047470E+04, 2.696222703E+02, 3.164916370E+00, + -2.132239781E-03, 6.730476400E-06, -5.637304970E-09, + 1.621756000E-12, 1.790004424E+05, 6.832974166E+00] ), + NASA9( [ 1000.00, 6000.00], [ -2.845599002E+06, 7.058893030E+03, -2.884886385E+00, + 3.068677059E-03, -4.361652310E-07, 2.102514545E-11, + 5.411996470E-16, 1.340388483E+05, 5.090897022E+01] ), + NASA9( [ 6000.00, 20000.00], [ -3.712829770E+08, 3.139287234E+05, -9.603518050E+01, + 1.571193286E-02, -1.175065525E-06, 4.144441230E-11, + -5.621893090E-16, -2.217361867E+06, 8.436270947E+02] ) + ), + note = " Gurvich,1989 pt1 p323 pt2 p200. " + ) + +species(name = "O2+", + atoms = " O:2 E:-1 ", + thermo = ( + NASA9( [ 298.15, 1000.00], [ -8.607205450E+04, 1.051875934E+03, -5.432380470E-01, + 6.571166540E-03, -3.274263750E-06, 5.940645340E-11, + 3.238784790E-13, 1.345544668E+05, 2.902709750E+01] ), + NASA9( [ 1000.00, 6000.00], [ 7.384654880E+04, -8.459559540E+02, 4.985164160E+00, + -1.611010890E-04, 6.427083990E-08, -1.504939874E-11, + 1.578465409E-15, 1.446321044E+05, -5.811230650E+00] ), + NASA9( [ 6000.00, 20000.00], [ -1.562125524E+09, 1.161406778E+06, -3.302504720E+02, + 4.710937520E-02, -3.354461380E-06, 1.167968599E-10, + -1.589754791E-15, -8.857866270E+06, 2.852035602E+03] ) + ), + note = " Gurvich,1989 pt1 p98 pt2 p11. " + ) + +species(name = "NO+", + atoms = " N:1 O:1 E:-1 ", + thermo = ( + NASA9( [ 298.15, 1000.00], [ 1.398106635E+03, -1.590446941E+02, 5.122895400E+00, + -6.394388620E-03, 1.123918342E-05, -7.988581260E-09, + 2.107383677E-12, 1.187495132E+05, -4.398433810E+00] ), + NASA9( [ 1000.00, 6000.00], [ 6.069876900E+05, -2.278395427E+03, 6.080324670E+00, + -6.066847580E-04, 1.432002611E-07, -1.747990522E-11, + 8.935014060E-16, 1.322709615E+05, -1.519880037E+01] ), + NASA9( [ 6000.00, 20000.00], [ 2.676400347E+09, -1.832948690E+06, 5.099249390E+02, + -7.113819280E-02, 5.317659880E-06, -1.963208212E-10, + 2.805268230E-15, 1.443308939E+07, -4.324044462E+03] ) + ), + note = " Cp,S,IP(NO): Gurvich,1989 pt1 p330 pt2 p205. " + ) + +species(name = "N+", + atoms = " N:1 E:-1 ", + thermo = ( + NASA9( [ 298.15, 1000.00], [ 5.237079210E+03, 2.299958315E+00, 2.487488821E+00, + 2.737490756E-05, -3.134447576E-08, 1.850111332E-11, + -4.447350984E-15, 2.256284738E+05, 5.076830786E+00] ), + NASA9( [ 1000.00, 6000.00], [ 2.904970374E+05, -8.557908610E+02, 3.477389290E+00, + -5.288267190E-04, 1.352350307E-07, -1.389834122E-11, + 5.046166279E-16, 2.310809984E+05, -1.994146545E+00] ), + NASA9( [ 6000.00, 20000.00], [ 1.646092148E+07, -1.113165218E+04, 4.976986640E+00, + -2.005393583E-04, 1.022481356E-08, -2.691430863E-13, + 3.539931593E-18, 3.136284696E+05, -1.706646380E+01] ) + ), + note = " Moore,1975. Gordon,1999. " + ) + +species(name = "O+", + atoms = " O:1 E:-1 ", + thermo = ( + NASA9( [ 298.15, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, 1.879352842E+05, 4.393376760E+00] ), + NASA9( [ 1000.00, 6000.00], [ -2.166513208E+05, 6.665456150E+02, 1.702064364E+00, + 4.714992810E-04, -1.427131823E-07, 2.016595903E-11, + -9.107157762E-16, 1.837191966E+05, 1.005690382E+01] ), + NASA9( [ 6000.00, 20000.00], [ -2.143835383E+08, 1.469518523E+05, -3.680864540E+01, + 5.036164540E-03, -3.087873854E-07, 9.186834870E-12, + -1.074163268E-16, -9.614208960E+05, 3.426193080E+02] ) + ), + note = " Martin,W.C.,1993. Gordon,1999. " + ) + +species(name = "e-", + atoms = " E:1 ", + thermo = ( + NASA9( [ 298.15, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, -7.453750000E+02, -1.172081224E+01] ), + NASA9( [ 1000.00, 6000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, -7.453750000E+02, -1.172081224E+01] ), + NASA9( [ 6000.00, 20000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, -7.453750000E+02, -1.172081224E+01] ) + ), + note = " Ref-Species. Chase,1998 3/82. " + ) + + + +#------------------------------------------------------------------------------- +# Reaction data +#------------------------------------------------------------------------------- diff --git a/data/inputs/airNASA9.inp b/data/inputs/airNASA9.inp new file mode 100644 index 000000000..2040fe6dc --- /dev/null +++ b/data/inputs/airNASA9.inp @@ -0,0 +1,10 @@ +! +! +! +! +ELEMENTS +O N E +END +SPECIES +N2 O2 NO N O N2+ O2+ NO+ N+ O+ e- +END diff --git a/data/inputs/airNASA9.xml b/data/inputs/airNASA9.xml new file mode 100644 index 000000000..81f9725b3 --- /dev/null +++ b/data/inputs/airNASA9.xml @@ -0,0 +1,317 @@ + + + + + + + O N E + + N2 O2 NO N O N2+ O2+ NO+ N+ O+ + e- + + + 300.0 + 101325.0 + + + + + + + + + + + + N:2 + Ref-Elm. Gurvich,1978 pt1 p280 pt2 p207. + + + + 2.210371497E+04, -3.818461820E+02, 6.082738360E+00, -8.530914410E-03, + 1.384646189E-05, -9.625793620E-09, 2.519705809E-12, 7.108460860E+02, + -1.076003744E+01 + + + + 5.877124060E+05, -2.239249073E+03, 6.066949220E+00, -6.139685500E-04, + 1.491806679E-07, -1.923105485E-11, 1.061954386E-15, 1.283210415E+04, + -1.586640027E+01 + + + + 8.310139160E+08, -6.420733540E+05, 2.020264635E+02, -3.065092046E-02, + 2.486903333E-06, -9.705954110E-11, 1.437538881E-15, 4.938707040E+06, + -1.672099740E+03 + + + + + + + O:2 + Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9. + + + + -3.425563420E+04, 4.847000970E+02, 1.119010961E+00, 4.293889240E-03, + -6.836300520E-07, -2.023372700E-09, 1.039040018E-12, -3.391454870E+03, + 1.849699470E+01 + + + + -1.037939022E+06, 2.344830282E+03, 1.819732036E+00, 1.267847582E-03, + -2.188067988E-07, 2.053719572E-11, -8.193467050E-16, -1.689010929E+04, + 1.738716506E+01 + + + + 4.975294300E+08, -2.866106874E+05, 6.690352250E+01, -6.169959020E-03, + 3.016396027E-07, -7.421416600E-12, 7.278175770E-17, 2.293554027E+06, + -5.530621610E+02 + + + + + + + O:1 N:1 + Gurvich,1978,1989 pt1 p326 pt2 p203. + + + + -1.143916503E+04, 1.536467592E+02, 3.431468730E+00, -2.668592368E-03, + 8.481399120E-06, -7.685111050E-09, 2.386797655E-12, 9.098214410E+03, + 6.728725490E+00 + + + + 2.239018716E+05, -1.289651623E+03, 5.433936030E+00, -3.656034900E-04, + 9.880966450E-08, -1.416076856E-11, 9.380184620E-16, 1.750317656E+04, + -8.501669090E+00 + + + + -9.575303540E+08, 5.912434480E+05, -1.384566826E+02, 1.694339403E-02, + -1.007351096E-06, 2.912584076E-11, -3.295109350E-16, -4.677501240E+06, + 1.242081216E+03 + + + + + + + N:1 + Hf:Cox,1989. Moore,1975. Gordon,1999. + + + + 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 5.610463780E+04, + 4.193905036E+00 + + + + 8.876501380E+04, -1.071231500E+02, 2.362188287E+00, 2.916720081E-04, + -1.729515100E-07, 4.012657880E-11, -2.677227571E-15, 5.697351330E+04, + 4.865231506E+00 + + + + 5.475181050E+08, -3.107574980E+05, 6.916782740E+01, -6.847988130E-03, + 3.827572400E-07, -1.098367709E-11, 1.277986024E-16, 2.550585618E+06, + -5.848769753E+02 + + + + + + + O:1 + D0(O2):Brix,1954. Moore,1976. Gordon,1999. + + + + -7.953611300E+03, 1.607177787E+02, 1.966226438E+00, 1.013670310E-03, + -1.110415423E-06, 6.517507500E-10, -1.584779251E-13, 2.840362437E+04, + 8.404241820E+00 + + + + 2.619020262E+05, -7.298722030E+02, 3.317177270E+00, -4.281334360E-04, + 1.036104594E-07, -9.438304330E-12, 2.725038297E-16, 3.392428060E+04, + -6.679585350E-01 + + + + 1.779004264E+08, -1.082328257E+05, 2.810778365E+01, -2.975232262E-03, + 1.854997534E-07, -5.796231540E-12, 7.191720164E-17, 8.890942630E+05, + -2.181728151E+02 + + + + + + + E:-1 N:2 + Gurvich,1989 pt1 p323 pt2 p200. + 1 + + + + -3.474047470E+04, 2.696222703E+02, 3.164916370E+00, -2.132239781E-03, + 6.730476400E-06, -5.637304970E-09, 1.621756000E-12, 1.790004424E+05, + 6.832974166E+00 + + + + -2.845599002E+06, 7.058893030E+03, -2.884886385E+00, 3.068677059E-03, + -4.361652310E-07, 2.102514545E-11, 5.411996470E-16, 1.340388483E+05, + 5.090897022E+01 + + + + -3.712829770E+08, 3.139287234E+05, -9.603518050E+01, 1.571193286E-02, + -1.175065525E-06, 4.144441230E-11, -5.621893090E-16, -2.217361867E+06, + 8.436270947E+02 + + + + + + + E:-1 O:2 + Gurvich,1989 pt1 p98 pt2 p11. + 1 + + + + -8.607205450E+04, 1.051875934E+03, -5.432380470E-01, 6.571166540E-03, + -3.274263750E-06, 5.940645340E-11, 3.238784790E-13, 1.345544668E+05, + 2.902709750E+01 + + + + 7.384654880E+04, -8.459559540E+02, 4.985164160E+00, -1.611010890E-04, + 6.427083990E-08, -1.504939874E-11, 1.578465409E-15, 1.446321044E+05, + -5.811230650E+00 + + + + -1.562125524E+09, 1.161406778E+06, -3.302504720E+02, 4.710937520E-02, + -3.354461380E-06, 1.167968599E-10, -1.589754791E-15, -8.857866270E+06, + 2.852035602E+03 + + + + + + + E:-1 O:1 N:1 + Cp,S,IP(NO): Gurvich,1989 pt1 p330 pt2 p205. + 1 + + + + 1.398106635E+03, -1.590446941E+02, 5.122895400E+00, -6.394388620E-03, + 1.123918342E-05, -7.988581260E-09, 2.107383677E-12, 1.187495132E+05, + -4.398433810E+00 + + + + 6.069876900E+05, -2.278395427E+03, 6.080324670E+00, -6.066847580E-04, + 1.432002611E-07, -1.747990522E-11, 8.935014060E-16, 1.322709615E+05, + -1.519880037E+01 + + + + 2.676400347E+09, -1.832948690E+06, 5.099249390E+02, -7.113819280E-02, + 5.317659880E-06, -1.963208212E-10, 2.805268230E-15, 1.443308939E+07, + -4.324044462E+03 + + + + + + + E:-1 N:1 + Moore,1975. 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Gordon,1999. + 1 + + + + 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.879352842E+05, + 4.393376760E+00 + + + + -2.166513208E+05, 6.665456150E+02, 1.702064364E+00, 4.714992810E-04, + -1.427131823E-07, 2.016595903E-11, -9.107157762E-16, 1.837191966E+05, + 1.005690382E+01 + + + + -2.143835383E+08, 1.469518523E+05, -3.680864540E+01, 5.036164540E-03, + -3.087873854E-07, 9.186834870E-12, -1.074163268E-16, -9.614208960E+05, + 3.426193080E+02 + + + + + + + E:1 + Ref-Species. Chase,1998 3/82. + -1 + + + + 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, + -1.172081224E+01 + + + + 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, + -1.172081224E+01 + + + + 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00, + 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, + -1.172081224E+01 + + + + + +