! generator: yaml2ck
! cantera-version: 3.0.0a4
! date: Mon, 24 Jun 2024 11:05:23 +0200
! input-files: [‘Z127_FAME_20210709.yaml’]
!
! ############################################################# FAME species mechanism
! Developed by N. Zettervall FOI, Sweden, 2021-07-09 Zettervall, N., & Nilsson, E. J.
! (2024). Semi-global Chemical Kinetic Mechanism for FAME Combustion Modeling.
! Combustion Science and Technology, 196(7), 997-1014.
! #############################################################

ELEM
H O C N
END

SPECIES
C17H34O2
C19H38O2
C19H36O2
C19H34O2
C19H32O2
C17H33O2
C17H33O2O2
C17H32O2OOH
OOC17H32O2OOH
C17ket_MP
C19H37O2
C19H37O2O2
C19H36O2OOH
OOC19H36O2OOH
C19ket_MST
C19H35O2
C19H35O2O2
C19H34O2OOH
OOC19H34O2OOH
C19ket_MO
C19H33O2
C19H33O2O2
C19H32O2OOH
OOC19H32O2OOH
C19ket_MLO
C19H31O2
C19H31O2O2
C19H30O2OOH
OOC19H30O2OOH
C19ket_MLN
MP2D ! 1/26/7THERM
MP2DMJ
MP3J ! 2/15/7THERM
MD2D ! 1/26/7THERM
C2H3CO ! 6/26/95THERM
CH3OCO ! 8/31/99THERM
CH2CO
C6H11CHO ! 1/29/7THERM
C2H5 ! ethylradicIU1/07
C2H4
C2H3 ! VinylRadiATcT/A
C2H2 ! acetyleneg1/91
C2H
CH2 ! SINGLETIU3/03
CH
CH4 ! RRHOg8/99
CH3
CH3O ! METHOXYRADIU1/03
CH2O ! Formaldehydeg8/88
HCO
CO
CO2
O2 ! REFELEMENTRUS89
N2 ! REFELEMENTG8/02
H2O
H
O
OH ! HYDROXYLRADIIU3/03
H2 ! REFELEMENTtpis78
HO2
H2O2
END

THERMO ALL
200.000 1000.000 6000.000

C17H34O2 C 17H 34O 2 G300.000 3500.000 1570.000 1
4.76347765E+01 8.91363270E-02-3.14080948E-05 4.73916071E-09-2.33379399E-13 2
-1.08404908E+05-2.13800451E+02-6.71212906E+00 2.27599781E-01-1.63698019E-04 3
6.09132260E-08-9.17829426E-12-9.13399797E+04 7.29065166E+01 4
C19H38O2 C 19H 38O 2 G300.000 3500.000 1590.000 1
5.57521885E+01 9.44092844E-02-3.21197983E-05 4.65296637E-09-2.12922184E-13 2
-1.17225837E+05-2.54579461E+02-7.52353560E+00 2.53593496E-01-1.82293583E-04 3
6.76189138E-08-1.01132284E-11-9.71041567E+04 8.00324369E+01 4
C19H36O2 C 19H 36O 2 G300.000 3500.000 1800.000 1
5.99431010E+01 8.58698597E-02-2.97675970E-05 4.64267974E-09-2.70021412E-13 2
-1.05323856E+05-2.71321378E+02-2.40342604E-02 2.19130160E-01-1.40817847E-04 3
4.57724021E-08-5.98248285E-12-8.37356873E+04 5.32332675E+01 4
C19H34O2 C 19H 34O 2 G300.000 3500.000 1800.000 1
6.05955674E+01 8.00185064E-02-2.72219228E-05 4.09057977E-09-2.22036541E-13 2
-9.16175365E+04-2.76065905E+02-1.22142744E+00 2.17389606E-01-1.41697839E-04 3
4.64890673E-08-6.11071537E-12-6.93634183E+04 5.85005668E+01 4
C19H32O2 C 19H 32O 2 G300.000 3500.000 1790.000 1
6.02396271E+01 7.58944997E-02-2.57645248E-05 3.83449044E-09-2.03418186E-13 2
-7.74468689E+04-2.75096818E+02-2.53501096E+00 2.16173021E-01-1.43316358E-04 3
4.76154339E-08-6.31807509E-12-5.49735485E+04 6.43028988E+01 4
C17H33O2 C 17H 33O 2 G300.000 3500.000 1570.000 1
4.65991944E+01 8.79958558E-02-3.11818151E-05 4.72867035E-09-2.34133929E-13 2
-8.86750528E+04-2.03460488E+02-5.53001428E+00 2.20809126E-01-1.58073475E-04 3
5.86104792E-08-8.81403980E-12-7.23064813E+04 7.15470254E+01 4
C17H33O2O2 C 17H 33O 4 G300.000 3500.000 1800.000 1
3.77681786E+01 6.05584838E-02-2.66377343E-05 5.63139231E-09-4.71383629E-13 2
-7.68263296E+04-1.55143375E+02 4.12866858E+00 1.35312950E-01-8.89331232E-05 3
2.87037586E-08-3.67587894E-12-6.47161060E+04 2.69206708E+01 4
C17H32O2OOH C 17H 33O 4 G300.000 3500.000 1800.000 1
3.77681786E+01 6.05584838E-02-2.66377343E-05 5.63139231E-09-4.71383629E-13 2
-7.68263296E+04-1.55143375E+02 4.12866858E+00 1.35312950E-01-8.89331232E-05 3
2.87037586E-08-3.67587894E-12-6.47161060E+04 2.69206708E+01 4
OOC17H32O2OOH C 17H 33O 6 G300.000 3500.000 1780.000 1
4.89601122E+01 4.69646617E-02-1.61477773E-05 2.58757356E-09-1.58080022E-13 2
-9.96313675E+04-2.11226530E+02 6.91495056E+00 1.41448171E-01-9.57687121E-05 3
3.24081484E-08-4.34636300E-12-8.46632899E+04 1.58608722E+01 4
C17ket_MP C 17H 32O 5 G300.000 3500.000 1780.000 1
4.89601122E+01 4.69646617E-02-1.61477773E-05 2.58757356E-09-1.58080022E-13 2
-9.96313675E+04-2.11226530E+02 6.91495056E+00 1.41448171E-01-9.57687121E-05 3
3.24081484E-08-4.34636300E-12-8.46632899E+04 1.58608722E+01 4
C19H37O2 C 19H 37O 2 G300.000 3500.000 1590.000 1
5.46335803E+01 9.34230718E-02-3.19964312E-05 4.67181817E-09-2.16706941E-13 2
-9.74617261E+04-2.43777088E+02-6.34709309E+00 2.46833571E-01-1.76723317E-04 3
6.53539506E-08-9.75792273E-12-7.80698720E+04 7.86982236E+01 4
C19H37O2O2 C 19H 37O 4 G300.000 3500.000 1230.000 1
-1.30612113E+02 6.00365411E-01-4.85197511E-04 1.58690695E-07-1.80918280E-11 2
1.24045714E+04 7.12083738E+02 2.15554517E+01 1.05511542E-01 1.18282817E-04 3
-1.68398913E-07 4.83897998E-11-2.50286494E+04-5.35376413E+01 4
C19H36O2OOH C 19H 37O 4 G300.000 3500.000 1230.000 1
-1.30612113E+02 6.00365411E-01-4.85197511E-04 1.58690695E-07-1.80918280E-11 2
1.24045714E+04 7.12083738E+02 2.15554517E+01 1.05511542E-01 1.18282817E-04 3
-1.68398913E-07 4.83897998E-11-2.50286494E+04-5.35376413E+01 4
OOC19H36O2OOH C 19H 37O 6 G300.000 3500.000 1250.000 1
-6.22995288E+01 3.41575943E-01-2.69706992E-04 8.71969168E-08-9.87435439E-12 2
1.57160051E+04 3.57020397E+02 1.61954272E+01 9.03920843E-02 3.17136385E-05 3
-7.35607531E-08 2.22771796E-11-3.90773393E+03-3.91880342E+01 4
C19ket_MST C 19H 36O 5 G300.000 3500.000 1070.000 1
4.98703748E+01 9.32941401E-02-1.10713016E-05-4.86534525E-09 9.98405036E-13 2
-1.26041658E+05-1.89643838E+02-1.31696050E+01 3.28957616E-01-3.41440660E-04 3
2.00972261E-07-4.70944937E-11-1.12551102E+05 1.18752824E+02 4
C19H35O2 C 19H 35O 2 G300.000 3500.000 1800.000 1
5.65772245E+01 8.98805970E-02-3.42288160E-05 6.24735813E-09-4.55216117E-13 2
-8.06885447E+04-2.49965378E+02-1.57106284E-01 2.15956888E-01-1.39292391E-04 3
4.51597935E-08-5.85972103E-12-6.02641856E+04 5.70926555E+01 4
C19H35O2O2 C 19H 35O 4 G300.000 3500.000 1800.000 1
5.68288430E+01 9.87024571E-02-3.87236246E-05 7.19531442E-09-5.31279781E-13 2
-1.23280985E+05-2.44956753E+02 2.29713937E+00 2.19884021E-01-1.39708261E-04 3
4.45970316E-08-5.72596272E-12-1.03649572E+05 5.01802030E+01 4
C19H34O2OOH C 19H 35O 4 G300.000 3500.000 1800.000 1
5.68288430E+01 9.87024571E-02-3.87236246E-05 7.19531442E-09-5.31279781E-13 2
-1.23280985E+05-2.44956753E+02 2.29713937E+00 2.19884021E-01-1.39708261E-04 3
4.45970316E-08-5.72596272E-12-1.03649572E+05 5.01802030E+01 4
OOC19H34O2OOH C 19H 35O 6 G300.000 3500.000 1540.000 1
5.74950107E+01 9.92606423E-02-3.35004083E-05 5.08063680E-09-2.82240301E-13 2
-1.09648465E+05-2.38315353E+02 2.38451828E+00 2.42404779E-01-1.72926515E-04 3
6.54382588E-08-1.00805556E-11-9.26744334E+04 5.13566583E+01 4
C19ket_MO C 19H 34O 5 G300.000 3500.000 1540.000 1
5.74950107E+01 9.92606423E-02-3.35004083E-05 5.08063680E-09-2.82240301E-13 2
-1.09648465E+05-2.38315353E+02 2.38451828E+00 2.42404779E-01-1.72926515E-04 3
6.54382588E-08-1.00805556E-11-9.26744334E+04 5.13566583E+01 4
C19H33O2 C 19H 33O 2 G300.000 3500.000 1800.000 1
5.71954712E+01 8.40022248E-02-3.15645422E-05 5.64019755E-09-4.00096882E-13 2
-6.69574846E+04-2.54485602E+02-1.30856134E+00 2.14011186E-01-1.39905343E-04 3
4.57664202E-08-5.97318336E-12-4.58960329E+04 6.21504271E+01 4
C19H33O2O2 C 19H 33O 4 G300.000 3500.000 1760.000 1
6.81309948E+01 7.45379902E-02-2.47878007E-05 3.55693560E-09-1.75307126E-13 2
-8.29474454E+04-3.08878538E+02 1.76458113E-02 2.29341056E-01-1.56722232E-04 3
5.35320989E-08-7.27405191E-12-5.89715465E+04 5.82344141E+01 4
C19H32O2OOH C 19H 33O 4 G300.000 3500.000 1760.000 1
6.81309948E+01 7.45379902E-02-2.47878007E-05 3.55693560E-09-1.75307126E-13 2
-8.29474454E+04-3.08878538E+02 1.76458113E-02 2.29341056E-01-1.56722232E-04 3
5.35320989E-08-7.27405191E-12-5.89715465E+04 5.82344141E+01 4
OOC19H32O2OOH C 19H 33O 6 G300.000 3500.000 1530.000 1
6.14087077E+01 8.58331825E-02-2.98017596E-05 4.63939710E-09-2.65661026E-13 2
-9.65914210E+04-2.81173958E+02 1.31186652E+00 2.42949107E-01-1.83836980E-04 3
7.17571401E-08-1.12326125E-11-7.82017876E+04 3.43158088E+01 4
C19ket_MLO C 19H 32O 5 G300.000 3500.000 1120.000 1
4.66382290E+01 9.44918856E-02-2.04259578E-05-5.03858314E-10 4.25993895E-13 2
-9.66680680E+04-1.74384027E+02-1.26774254E+01 3.06333508E-01-3.04142417E-04 3
1.68374986E-07-3.72701768E-11-8.33813614E+04 1.18501883E+02 4
C19H31O2 C 19H 31O 2 G300.000 3500.000 1800.000 1
5.95150691E+01 7.42461115E-02-2.53824843E-05 3.82833735E-09-2.08614643E-13 2
-4.82863749E+04-2.69048825E+02-9.12524229E-01 2.08529652E-01-1.37285435E-04 3
4.52738746E-08-5.96493926E-12-2.65324413E+04 5.79979154E+01 4
C19H31O2O2 C 19H 31O 4 G300.000 3500.000 1610.000 1
5.66825540E+01 9.03049166E-02-3.59434819E-05 6.72610918E-09-4.95506769E-13 2
-6.74923687E+04-2.44601780E+02-2.71828910E+00 2.37884651E-01-1.73440129E-04 3
6.36605386E-08-9.33625668E-12-4.83652972E+04 7.02616632E+01 4
C19H30O2OOH C 19H 31O 4 G300.000 3500.000 1610.000 1
5.66825540E+01 9.03049166E-02-3.59434819E-05 6.72610918E-09-4.95506769E-13 2
-6.74923687E+04-2.44601780E+02-2.71828910E+00 2.37884651E-01-1.73440129E-04 3
6.36605386E-08-9.33625668E-12-4.83652972E+04 7.02616632E+01 4
OOC19H30O2OOH C 19H 31O 6 G300.000 3500.000 1690.000 1
6.61920071E+01 8.18444133E-02-3.03706057E-05 5.17171152E-09-3.39000628E-13 2
-8.83104294E+04-2.93138254E+02 7.95447189E-01 2.36629171E-01-1.67753526E-04 3
5.93661575E-08-8.35593051E-12-6.62063921E+04 5.66777851E+01 4
C19ket_MLN C 19H 30O 5 G300.000 3500.000 1690.000 1
6.61920071E+01 8.18444133E-02-3.03706057E-05 5.17171152E-09-3.39000628E-13 2
-8.83104294E+04-2.93138254E+02 7.95447189E-01 2.36629171E-01-1.67753526E-04 3
5.93661575E-08-8.35593051E-12-6.62063921E+04 5.66777851E+01 4
MP2D C 4H 6O 2 G300.000 5000.000 1391.000 1
1.39328766E+01 1.63953722E-02-5.41101810E-06 8.17304314E-10-4.65384617E-14 2
-4.35817016E+04-4.43946639E+01 1.77047626E+00 4.58371111E-02-3.31861252E-05 3
1.29603705E-08-2.11172231E-12-3.94430531E+04 2.05902591E+01 4
MP2DMJ C 4H 5O 2 G300.000 5000.000 1391.000 1
1.68847567E+01 1.11178481E-02-3.92616850E-06 6.21898660E-10-3.64954634E-14 2
-2.01393309E+04-6.22634480E+01 3.33358736E+00 4.52872230E-02-3.75332781E-05 3
1.58798086E-08-2.71244352E-12-1.56896797E+04 9.61623922E+00 4
MP3J C 4H 7O 2 G300.000 5000.000 1385.000 1
1.39675899E+01 1.84327888E-02-6.15409917E-06 9.35300632E-10-5.34407880E-14 2
-3.35844249E+04-4.38102056E+01 3.88501954E+00 3.98316416E-02-2.32542928E-05 3
7.12054932E-09-9.19086271E-13-2.98078584E+04 1.12039846E+01 4
MD2D C 11H 20O 2 G300.000 5000.000 1385.000 1
3.80577343E+01 4.54143617E-02-1.54448984E-05 2.39041352E-09-1.38471812E-13 2
-7.45907480E+04-1.65088422E+02-6.57029312E-02 1.31279364E-01-8.88628098E-05 3
3.08826068E-08-4.39530562E-12-6.09976286E+04 4.08524852E+01 4
C2H3CO C 3H 3O 1 G300.000 5000.000 1393.000 1
9.99505311E+00 7.34623223E-03-2.56370222E-06 4.03462270E-10-2.36317330E-14 2
4.00522160E+03-2.67674022E+01 1.05143589E+00 3.06932973E-02-2.65560368E-05 3
1.18183987E-08-2.11589812E-12 6.87879551E+03 2.04173489E+01 4
CH3OCO C 2H 3O 2 G300.000 5000.000 1601.000 1
9.73659803E+00 7.42432713E-03-2.65641779E-06 4.25031143E-10-2.51824924E-14 2
-2.37525535E+04-2.35950854E+01 4.16215406E+00 1.38037511E-02-3.08486109E-07 3
-4.56430814E-09 1.46909632E-12-2.11640115E+04 8.68327214E+00 4
CH2CO C 2H 2O 1 G300.000 5000.000 1000.000 1
6.03881700E+00 5.80484000E-03-1.92095400E-06 2.79448500E-10-1.45886800E-14 2
-8.58340200E+03-7.65758100E+00 2.97497100E+00 1.21187100E-02-2.34504600E-06 3
-6.46668500E-09 3.90564900E-12-7.63263700E+03 8.67355300E+00 4
C6H11CHO C 7H 12O 1 G300.000 5000.000 1389.000 1
2.37585355E+01 2.60071535E-02-8.70226240E-06 1.33368395E-09-7.67899026E-14 2
-3.09914937E+04-9.60007097E+01-9.92863740E-02 8.34775014E-02-6.22544098E-05 3
2.43060424E-08-3.89470907E-12-2.28849944E+04 3.15081061E+01 4
C2H5 C 2H 5 G200.000 6000.000 1000.000 1
4.32195633E+00 1.23930542E-02-4.39680960E-06 7.03519917E-10-4.18435239E-14 2
1.21759475E+04 1.71103809E-01 4.24185905E+00-3.56905235E-03 4.82667202E-05 3
-5.85401009E-08 2.25804514E-11 1.29690344E+04 4.44703782E+00 4
C2H4 C 2H 4 G200.000 6000.000 1000.000 1
3.99182724E+00 1.04833908E-02-3.71721342E-06 5.94628366E-10-3.53630386E-14 2
4.26865851E+03-2.69081762E-01 3.95920063E+00-7.57051373E-03 5.70989993E-05 3
-6.91588352E-08 2.69884190E-11 5.08977598E+03 4.09730213E+00 4
C2H3 C 2H 3 G200.000 6000.000 1000.000 1
4.15026763E+00 7.54021341E-03-2.62997847E-06 4.15974048E-10-2.45407509E-14 2
3.38566380E+04 1.72812235E+00 3.36377642E+00 2.65765722E-04 2.79620704E-05 3
-3.72986942E-08 1.51590176E-11 3.44749589E+04 7.91510092E+00 4
C2H2 C 2H 2 G200.000 6000.000 1000.000 1
4.65878489E+00 4.88396667E-03-1.60828888E-06 2.46974544E-10-1.38605959E-14 2
2.57594042E+04-3.99838194E+00 8.08679682E-01 2.33615762E-02-3.55172234E-05 3
2.80152958E-08-8.50075165E-12 2.64289808E+04 1.39396761E+01 4
C2H C 2H 1 G200.000 6000.000 1000.000 1
3.66270248E+00 3.82492252E-03-1.36632500E-06 2.13455040E-10-1.23216848E-14 2
6.71683790E+04 3.92205792E+00 2.89867676E+00 1.32988489E-02-2.80733327E-05 3
2.89484755E-08-1.07502351E-11 6.70616050E+04 6.18547632E+00 4
CH2 C 1H 2 G200.000 6000.000 1000.000 1
3.13501686E+00 2.89593926E-03-8.16668090E-07 1.13572697E-10-6.36262835E-15 2
5.05040504E+04 4.06030621E+00 4.19331325E+00-2.33105184E-03 8.15676451E-06 3
-6.62985981E-09 1.93233199E-12 5.03662246E+04-7.46734310E-01 4
CH C 1H 1 G200.000 6000.000 1000.000 1
2.52093690E+00 1.76536390E-03-4.61476600E-07 5.92896750E-11-3.34745010E-15 2
7.09948780E+04 7.40518290E+00 3.48975830E+00 3.24321600E-04-1.68997510E-06 3
3.16284200E-09-1.40618030E-12 7.06607550E+04 2.08428410E+00 4
CH4 C 1H 4 G200.000 6000.000 1000.000 1
1.91178600E+00 9.60267960E-03-3.38387841E-06 5.38797240E-10-3.19306807E-14 2
-1.00992136E+04 8.48241861E+00 5.14825732E+00-1.37002410E-02 4.93749414E-05 3
-4.91952339E-08 1.70097299E-11-1.02453222E+04-4.63322726E+00 4
CH3 C 1H 3 G200.000 6000.000 1000.000 1
2.97812060E+00 5.79785200E-03-1.97558000E-06 3.07297900E-10-1.79174160E-14 2
1.65095130E+04 4.72247990E+00 3.65717970E+00 2.12659790E-03 5.45838830E-06 3
-6.61810030E-09 2.46570740E-12 1.64227160E+04 1.67353540E+00 4
CH3O C 1H 3O 1 G200.000 6000.000 1000.000 1
4.75779238E+00 7.44142474E-03-2.69705176E-06 4.38090504E-10-2.63537098E-14 2
3.90139164E+02-1.96680028E+00 3.71180502E+00-2.80463306E-03 3.76550971E-05 3
-4.73072089E-08 1.86588420E-11 1.30772484E+03 6.57240864E+00 4
CH2O C 1H 2O 1 G200.000 6000.000 1000.000 1
3.16952665E+00 6.19320560E-03-2.25056366E-06 3.65975660E-10-2.20149458E-14 2
-1.44922756E+04 6.04207898E+00 4.79372312E+00-9.90833322E-03 3.73219990E-05 3
-3.79285237E-08 1.31772641E-11-1.43227879E+04 6.02798058E-01 4
HCO C 1H 1O 1 G200.000 6000.000 1000.000 1
3.92001542E+00 2.52279324E-03-6.71004164E-07 1.05615948E-10-7.43798261E-15 2
3.65342928E+03 3.58077056E+00 4.23754610E+00-3.32075257E-03 1.40030264E-05 3
-1.34239995E-08 4.37416208E-12 3.87241185E+03 3.30834869E+00 4
CO C 1O 1 G200.000 6000.000 1000.000 1
3.04848590E+00 1.35172810E-03-4.85794050E-07 7.88536440E-11-4.69807460E-15 2
-1.42661170E+04 6.01709770E+00 3.57953350E+00-6.10353690E-04 1.01681430E-06 3
9.07005860E-10-9.04424490E-13-1.43440860E+04 3.50840930E+00 4
CO2 C 1O 2 G200.000 6000.000 1000.000 1
4.63651110E+00 2.74145690E-03-9.95897590E-07 1.60386660E-10-9.16198570E-15 2
-4.90249040E+04-1.93489550E+00 2.35681300E+00 8.98412990E-03-7.12206320E-06 3
2.45730080E-09-1.42885480E-13-4.83719710E+04 9.90090350E+00 4
O2 O 2 G200.000 6000.000 1000.000 1
3.66096065E+00 6.56365811E-04-1.41149627E-07 2.05797935E-11-1.29913436E-15 2
-1.21597718E+03 3.41536279E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06 3
-9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00 4
N2 N 2 G200.000 6000.000 1000.000 1
2.95257637E+00 1.39690040E-03-4.92631603E-07 7.86010195E-11-4.60755204E-15 2
-9.23948688E+02 5.87188762E+00 3.53100528E+00-1.23660988E-04-5.02999433E-07 3
2.43530612E-09-1.40881235E-12-1.04697628E+03 2.96747038E+00 4
H2O H 2O 1 G200.000 6000.000 1000.000 1
2.67703890E+00 2.97318160E-03-7.73768890E-07 9.44335140E-11-4.26899910E-15 2
-2.98858940E+04 6.88255000E+00 4.19863520E+00-2.03640170E-03 6.52034160E-06 3
-5.48792690E-09 1.77196800E-12-3.02937260E+04-8.49009010E-01 4
H H 1 G200.000 6000.000 1000.000 1
2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
2.54736600E+04-4.46682850E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3
0.00000000E+00 0.00000000E+00 2.54736600E+04-4.46682850E-01 4
O O 1 G200.000 6000.000 1000.000 1
2.54363697E+00-2.73162486E-05-4.19029520E-09 4.95481845E-12-4.79553694E-16 2
2.92260120E+04 4.92229457E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3
-6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 4
OH H 1O 1 G200.000 6000.000 1000.000 1
2.83853033E+00 1.10741289E-03-2.94000209E-07 4.20698729E-11-2.42289890E-15 2
3.69780808E+03 5.84494652E+00 3.99198424E+00-2.40106655E-03 4.61664033E-06 3
-3.87916306E-09 1.36319502E-12 3.36889836E+03-1.03998477E-01 4
H2 H 2 G200.000 6000.000 1000.000 1
2.93286575E+00 8.26608026E-04-1.46402364E-07 1.54100414E-11-6.88804800E-16 2
-8.13065581E+02-1.02432865E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05 3
2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01 4
HO2 H 1O 2 G200.000 5000.000 1000.000 1
4.17228741E+00 1.88117627E-03-3.46277286E-07 1.94657549E-11 1.76256905E-16 2
3.10206839E+01 2.95767672E+00 4.30179807E+00-4.74912097E-03 2.11582905E-05 3
-2.42763914E-08 9.29225225E-12 2.64018485E+02 3.71666220E+00 4
H2O2 H 2O 2 G200.000 6000.000 1000.000 1
4.57977305E+00 4.05326003E-03-1.29844730E-06 1.98211400E-10-1.13968792E-14 2
-1.80071775E+04 6.64970694E-01 4.31515149E+00-8.47390622E-04 1.76404323E-05 3
-2.26762944E-08 9.08950158E-12-1.77067437E+04 3.27373319E+00 4
END

REACTIONS CAL/MOLE MOLE
C17H34O2 => C2H2 + 7 C2H4 + CH + H2 + HO2 900000000000.0 1.5 75000.0
C17H34O2 + O2 => C17H33O2 + HO2 2000000000000000.2 0.0 30000.0
C17H34O2 + OH => C17H33O2 + H2O 30000000.000000004 1.85 58.5
C17H34O2 + H => C17H33O2 + H2 200000000.00000003 2.0 2500.0
C17H34O2 + HO2 => C17H33O2 + H2O2 212000000000000.03 0.0 17690.0
C17H33O2 + O2 => C17H33O2O2 200000000000.00003 0.0 4500.0
C17H33O2O2 => C17H32O2OOH 55100000000000.0 0.0 19000.0
C17H32O2OOH + O2 => OOC17H32O2OOH 200000000000.00003 0.0 0.0
OOC17H32O2OOH => C17ket_MP + OH 89100000000.0 0.0 17000.0
C17ket_MP => 2 C2H3 + C2H4 + C6H11CHO + 2 CH3OCO + 2 H2 8980000000000000.0 0.0 43000.0
C6H11CHO + O2 => C2H3 + 2 C2H4 + CO + HO2 31600000000000.004 0.0 10000.0
C17H33O2 => C2H + 5 C2H4 + CH2 + 2 H2 + MP2D 8000000000000.0 0.0 28700.0
C19H38O2 => C2H2 + 8 C2H4 + CH + H2 + HO2 900000000000.0 1.5 75000.0
C19H38O2 + O2 => C19H37O2 + HO2 2000000000000000.2 0.0 30000.0
C19H38O2 + OH => C19H37O2 + H2O 30000000.000000004 1.85 58.5
C19H38O2 + H => C19H37O2 + H2 200000000.00000003 2.0 2500.0
C19H38O2 + HO2 => C19H37O2 + H2O2 212000000000000.03 0.0 17690.0
C19H37O2 + O2 => C19H37O2O2 200000000000.00003 0.0 4400.0
C19H37O2O2 => C19H36O2OOH 55100000000000.0 0.0 19000.0
C19H36O2OOH + O2 => OOC19H36O2OOH 200000000000.00003 0.0 0.0
OOC19H36O2OOH => C19ket_MST + OH 89100000000.0 0.0 17000.0
C19ket_MST => 2 C2H3 + 2 C2H4 + C6H11CHO + 2 CH3OCO + 2 H2 8980000000000000.0 0.0 43000.0
C19H37O2 => C2H + 6 C2H4 + CH2 + 2 H2 + MP2D 8000000000000.0 0.0 28700.0
C19H36O2 => 2 C2H2 + 7 C2H4 + CH + H2 + HO2 900000000000.0 1.5 75000.0
C19H36O2 + O2 => C19H35O2 + HO2 2000000000000000.2 0.0 30000.0
C19H36O2 + OH => C19H35O2 + H2O 30000000.000000004 1.85 58.5
C19H36O2 + H => C19H35O2 + H2 200000000.00000003 2.0 2500.0
C19H36O2 + HO2 => C19H35O2 + H2O2 212000000000000.03 0.0 17690.0
C19H35O2 + O2 => C19H35O2O2 200000000000.00003 0.0 6000.0
C19H35O2O2 => C19H34O2OOH 55100000000000.0 0.0 19000.0
C19H34O2OOH + O2 => OOC19H34O2OOH 200000000000.00003 0.0 0.0
OOC19H34O2OOH => C19ket_MO + OH 89100000000.0 0.0 17000.0
C19ket_MO => 2 C2H3 + 2 C2H4 + C6H11CHO + 2 CH3OCO + H2 8980000000000000.0 0.0 43000.0
C19H35O2 => C2H + 6 C2H4 + CH2 + H2 + MP2D 8000000000000.0 0.0 28700.0
C19H34O2 => 2 C2H2 + 7 C2H4 + CH + HO2 900000000000.0 1.5 75000.0
C19H34O2 + O2 => C19H33O2 + HO2 2000000000000000.2 0.0 30000.0
C19H34O2 + OH => C19H33O2 + H2O 30000000.000000004 1.85 58.5
C19H34O2 + H => C19H33O2 + H2 200000000.00000003 2.0 2500.0
C19H34O2 + HO2 => C19H33O2 + H2O2 212000000000000.03 0.0 17690.0
C19H33O2 + O2 => C19H33O2O2 200000000000.00003 0.0 8000.0
C19H33O2O2 => C19H32O2OOH 55100000000000.0 0.0 19000.0
C19H32O2OOH + O2 => OOC19H32O2OOH 200000000000.00003 0.0 0.0
OOC19H32O2OOH => C19ket_MLO + OH 89100000000.0 0.0 17000.0
C19ket_MLO => 2 C2H3 + 2 C2H4 + C6H11CHO + 2 CH3OCO 8980000000000000.0 0.0 43000.0
C19H33O2 => C2H + 6 C2H4 + CH2 + MP2D 8000000000000.0 0.0 28700.0
C19H32O2 => 3 C2H2 + 6 C2H4 + CH + HO2 900000000000.0 1.5 75000.0
C19H32O2 + O2 => C19H31O2 + HO2 2000000000000000.2 0.0 30000.0
C19H32O2 + OH => C19H31O2 + H2O 30000000.000000004 1.85 58.5
C19H32O2 + H => C19H31O2 + H2 200000000.00000003 2.0 4500.0
C19H32O2 + HO2 => C19H31O2 + H2O2 212000000000000.03 0.0 17690.0
C19H31O2 + O2 => C19H31O2O2 200000000000.00003 0.0 11500.0
C19H31O2O2 => C19H30O2OOH 55100000000000.0 0.0 19000.0
C19H30O2OOH + O2 => OOC19H30O2OOH 200000000000.00003 0.0 0.0
OOC19H30O2OOH => C19ket_MLN + OH 89100000000.0 0.0 17000.0
C19ket_MLN => C2H + C2H3 + 2 C2H4 + C6H11CHO + 2 CH3OCO 8980000000000000.0 0.0 43000.0
C19H31O2 => C2H + 2 C2H3 + 4 C2H4 + CH2 + MP2D 8000000000000.0 0.0 28700.0
H + MP2D => H2 + MP2DMJ 19600.0 2.4 4471.0
MP2D + OH => H2O + MP2DMJ 70200000.00000001 1.6 -35.0
MP2DMJ => C2H3CO + CH2O 5.75e+23 -2.8 23540.0
C2H3CO + M => C2H3 + CO + M 8600000000000002.0 0.0 23000.0
CH4/1.625E+01/ CO/1.875E+00/ CO2/3.750E+00/ H2O/1.625E+01/
H + MP2D => MP3J 10000000000000.002 0.0 2900.0
C2H4 + CH3OCO <=> MP3J 211000000000.00003 0.0 7350.0
CH3O + CO <=> CH3OCO 150000000000.00003 0.0 3000.0
CH3 + CO2 <=> CH3OCO 150000000000.00003 0.0 36730.0
C2H4 + H + M => C2H5 + M 120000000000.00003 0.0 11030.0
C2H5 + H => 2 CH3 140000000000000.03 0.0 0.0
C2H4 => C2H3 + H 1000000000000.0 0.0 50000.0
C2H4 + H => C2H5 500000000000.00006 1.0 12500.0
C2H4 + O => CH3 + HCO 3310000000000.0005 0.0 1130.0
CH3 + HCO => C2H4 + O 158000000000.00003 0.0 25000.0
C2H4 + OH => C2H3 + H2O 4790000000000.001 0.0 1230.0
C2H3 + H2O => C2H4 + OH 1200000000000.0002 0.0 14000.0
C2H4 + CH3 => C2H3 + CH4 10000000000000.002 0.0 13000.0
C2H3 + CH4 => C2H4 + CH3 30200000000000.004 0.0 12580.0
C2H2 + H + M => C2H3 + M 123000000000.00003 1.0 10360.0
C2H3 + H => C2H2 + H2 10000000000000.002 0.0 2500.0
C2H + H + M => C2H2 + M 1100000000.0000002 1.0 770.0
C2H2 + H => C2H + H2 200000000000000.03 0.0 19000.0
C2H2 + OH => C2H + H2O 8000000000000.001 0.0 5000.0
C2H + H2O => C2H2 + OH 5370000000000.001 0.0 16360.0
C2H2 + O => C2H + OH 3240000000000000.5 0.6 12000.0
C2H + OH => C2H2 + O 295000000000000.06 0.6 910.0
C2H + O2 => CO + HCO 10000000000000.002 0.0 6500.0
CO + HCO => C2H + O2 8510000000000.002 0.0 138400.0
H + O2 => O + OH 205000000000000.03 0.0 16800.0
O + OH => H + O2 14000000000000.002 0.0 690.0
H2 + O => H + OH 18000000000.000004 1.0 8826.0
H + OH => H2 + O 8000000000.000001 1.0 6760.0
H2 + OH => H + H2O 1170000000.0000002 1.3 3626.0
H + H2O => H2 + OH 7000000000.000001 1.3 18588.0
2 OH => H2O + O 600000000.0000001 1.3 0.0
H2O + O => 2 OH 5900000000.000001 1.3 17029.000000000004
H + O2 + M => HO2 + M 1.2000000000000003e+18 -0.8 0.0
CH4/6.500E+00/ CO/7.500E-01/ CO2/1.500E+00/ H2/1.000E+00/ H2O/6.500E+00/ N2/4.000E-01/ O2/4.000E-01/
H + HO2 => 2 OH 150000000000000.03 0.0 1004.0
H + HO2 => H2 + O2 25000000000000.004 0.0 699.9999999999999
HO2 + OH => H2O + O2 20000000000000.004 0.0 1000.0
CO + OH => CO2 + H 15100000.000000004 1.3 -758.0
CO2 + H => CO + OH 1570000000.0000002 1.3 19500.0
CH4 (+M) => CH3 + H (+M) 630000000000000.0 0.0 104000.0
LOW /1.0000000000000002e+17 0.0 86000.0/
C17H32O2OOH/3.000E+00/ C17H33O2/3.000E+00/ C17H33O2O2/3.000E+00/ C17H34O2/3.000E+00/ C17ket_MP/3.000E+00/ C19H30O2OOH/3.000E+00/ C19H31O2/3.000E+00/ C19H31O2O2/3.000E+00/ C19H32O2/3.000E+00/ C19H32O2OOH/3.000E+00/ C19H33O2/3.000E+00/ C19H33O2O2/3.000E+00/ C19H34O2/3.000E+00/ C19H34O2OOH/3.000E+00/ C19H35O2/3.000E+00/ C19H35O2O2/3.000E+00/ C19H36O2/3.000E+00/ C19H36O2OOH/3.000E+00/ C19H37O2/3.000E+00/ C19H37O2O2/3.000E+00/ C19H38O2/3.000E+00/ C19ket_MLN/3.000E+00/ C19ket_MLO/3.000E+00/ C19ket_MO/3.000E+00/ C19ket_MST/3.000E+00/ CH4/6.500E+00/ CO/7.500E-01/ CO2/1.500E+00/ H2/1.000E+00/ H2O/6.500E+00/ N2/4.000E-01/ O2/4.000E-01/ OOC17H32O2OOH/3.000E+00/ OOC19H30O2OOH/3.000E+00/ OOC19H32O2OOH/3.000E+00/ OOC19H34O2OOH/3.000E+00/ OOC19H36O2OOH/3.000E+00/
CH3 + H (+M) => CH4 (+M) 5200000000000.001 0.0 -1310.0
LOW /825000000000000.1 0.0 -19310.0/
C17H32O2OOH/3.000E+00/ C17H33O2/3.000E+00/ C17H33O2O2/3.000E+00/ C17H34O2/3.000E+00/ C17ket_MP/3.000E+00/ C19H30O2OOH/3.000E+00/ C19H31O2/3.000E+00/ C19H31O2O2/3.000E+00/ C19H32O2/3.000E+00/ C19H32O2OOH/3.000E+00/ C19H33O2/3.000E+00/ C19H33O2O2/3.000E+00/ C19H34O2/3.000E+00/ C19H34O2OOH/3.000E+00/ C19H35O2/3.000E+00/ C19H35O2O2/3.000E+00/ C19H36O2/3.000E+00/ C19H36O2OOH/3.000E+00/ C19H37O2/3.000E+00/ C19H37O2O2/3.000E+00/ C19H38O2/3.000E+00/ C19ket_MLN/3.000E+00/ C19ket_MLO/3.000E+00/ C19ket_MO/3.000E+00/ C19ket_MST/3.000E+00/ CH4/6.500E+00/ CO/7.500E-01/ CO2/1.500E+00/ H2/1.000E+00/ H2O/6.500E+00/ N2/4.000E-01/ O2/4.000E-01/ OOC17H32O2OOH/3.000E+00/ OOC19H30O2OOH/3.000E+00/ OOC19H32O2OOH/3.000E+00/ OOC19H34O2OOH/3.000E+00/ OOC19H36O2OOH/3.000E+00/
CH4 + H => CH3 + H2 22000.000000000004 3.0 8750.0
CH3 + H2 => CH4 + H 957.0000000000002 3.0 8750.0
CH4 + OH => CH3 + H2O 1600000.0000000002 2.1 2460.0
CH3 + H2O => CH4 + OH 302000.00000000006 2.1 17422.0
CH3 + O => CH2O + H 68000000000000.016 0.0 0.0
CH2O + H => H2 + HCO 50000000000000.01 0.0 3991.0
CH2O + OH => H2O + HCO 120000000000000.02 0.0 1100.0
H + HCO => CO + H2 40000000000000.01 0.0 0.0
HCO + M => CO + H + M 160000000000000.03 0.0 14700.0
CH3 + O2 => CH3O + O 50000000000000.01 0.0 25652.0
CH3O + H => CH2O + H2 20000000000000.004 0.0 0.0
CH3O + M => CH2O + H + M 24000000000000.004 0.0 28812.0
2 HO2 => H2O2 + O2 80000000000000.02 0.0 0.0
H2O2 + M => 2 OH + M 1.3000000000000002e+17 0.0 45500.0
2 OH + M => H2O2 + M 986000000000000.2 0.0 -5070.0
H2O2 + OH => H2O + HO2 10000000000000.002 0.0 1800.0
H2O + HO2 => H2O2 + OH 28600000000000.004 0.0 32790.0
H + OH + M => H2O + M 2.2000000000000004e+22 -2.0 0.0
2 H + M => H2 + M 1.8000000000000003e+18 -1.0 0.0
CH3 + OH => CH2 + H2O 7600000.000000002 2.0 5000.0
CH2 + O => CO + H2 30000000000000.004 0.0 0.0
CH2 + OH => CH + H2O 40000000.00000001 2.0 3000.0
CH + O => CO + H 57000000000000.01 0.0 0.0
CH + OH => H + HCO 30000000000000.004 0.0 0.0
CH + O2 => HCO + O 33000000000000.004 0.0 0.0
CH + CO2 => CO + HCO 84000000000000.02 0.0 200.0
CO2 + M => CO + O + M 60000000000.00001 0.0 52500.0
END

TRANSPORT
C17H34O2 2 750.000 8.350 0.000 0.000 1.000
C19H38O2 2 750.000 8.350 0.000 0.000 1.000
C19H36O2 2 750.000 8.350 0.000 0.000 1.000
C19H34O2 2 750.000 8.350 0.000 0.000 1.000
C19H32O2 2 750.000 8.350 0.000 0.000 1.000
C17H33O2 2 750.000 8.350 0.000 0.000 1.000
C17H33O2O2 2 750.000 8.350 0.000 0.000 1.000
C17H32O2OOH 2 750.000 8.350 0.000 0.000 1.000
OOC17H32O2OOH 2 750.000 8.350 0.000 0.000 1.000
C17ket_MP 2 750.000 8.350 0.000 0.000 1.000
C19H37O2 2 750.000 8.350 0.000 0.000 1.000
C19H37O2O2 2 750.000 8.350 0.000 0.000 1.000
C19H36O2OOH 2 750.000 8.350 0.000 0.000 1.000
OOC19H36O2OOH 2 750.000 8.350 0.000 0.000 1.000
C19ket_MST 2 750.000 8.350 0.000 0.000 1.000
C19H35O2 2 750.000 8.350 0.000 0.000 1.000
C19H35O2O2 2 750.000 8.350 0.000 0.000 1.000
C19H34O2OOH 2 750.000 8.350 0.000 0.000 1.000
OOC19H34O2OOH 2 750.000 8.350 0.000 0.000 1.000
C19ket_MO 2 750.000 8.350 0.000 0.000 1.000
C19H33O2 2 750.000 8.350 0.000 0.000 1.000
C19H33O2O2 2 750.000 8.350 0.000 0.000 1.000
C19H32O2OOH 2 750.000 8.350 0.000 0.000 1.000
OOC19H32O2OOH 2 750.000 8.350 0.000 0.000 1.000
C19ket_MLO 2 750.000 8.350 0.000 0.000 1.000
C19H31O2 2 750.000 8.350 0.000 0.000 1.000
C19H31O2O2 2 750.000 8.350 0.000 0.000 1.000
C19H30O2OOH 2 750.000 8.350 0.000 0.000 1.000
OOC19H30O2OOH 2 750.000 8.350 0.000 0.000 1.000
C19ket_MLN 2 750.000 8.350 0.000 0.000 1.000
MP2D 2 429.900 5.137 1.706 6.940 1.000
MP2DMJ 2 429.900 5.137 1.706 6.940 1.000
MP3J 2 452.200 5.480 1.703 8.970 1.000
MD2D 2 636.200 6.807 1.700 21.690 1.000
C2H3CO 2 443.200 4.120 0.000 0.000 1.000
CH3OCO 2 395.000 4.037 1.300 0.000 1.000
CH2CO 2 436.000 3.970 0.000 0.000 2.000
C6H11CHO 2 581.300 6.506 2.000 0.000 1.000
C2H5 2 252.300 4.302 0.000 0.000 1.500
C2H4 2 280.800 3.971 0.000 0.000 1.500
C2H3 2 209.000 4.100 0.000 0.000 1.000
C2H2 1 209.000 4.100 0.000 0.000 2.500
C2H 1 209.000 4.100 0.000 0.000 2.500
CH2 1 144.000 3.800 0.000 0.000 0.000
CH 1 80.000 2.750 0.000 0.000 0.000
CH4 2 141.400 3.746 0.000 2.600 13.000
CH3 1 144.000 3.800 0.000 0.000 0.000
CH3O 2 417.000 3.690 1.700 0.000 2.000
CH2O 2 498.000 3.590 0.000 0.000 2.000
HCO 2 498.000 3.590 0.000 0.000 0.000
CO 1 98.100 3.650 0.000 1.950 1.800
CO2 1 244.000 3.763 0.000 2.650 2.100
O2 1 107.400 3.458 0.000 1.600 3.800
N2 1 97.530 3.621 0.000 1.760 4.000
H2O 2 572.400 2.605 1.844 0.000 4.000
H 0 145.000 2.050 0.000 0.000 0.000
O 0 80.000 2.750 0.000 0.000 0.000
OH 1 80.000 2.750 0.000 0.000 0.000
H2 1 38.000 2.920 0.000 0.790 280.000
HO2 2 107.400 3.458 0.000 0.000 1.000
H2O2 2 107.400 3.458 0.000 0.000 3.800
END