! 56 Species mechanism for n-Heptane oxidation ! n-Heptane: n-C7H16 THERMO C2H2 C 2 H 2 0298.00 5000.00 1000.00 1 4.43677040E+00 5.37603910E-03-1.91281670E-06 3.28637890E-10-2.15670950E-14 2 2.56676640E+04-2.80033830E+00 2.01356220E+00 1.51904460E-02-1.61631890E-05 3 9.07899180E-09-1.91274600E-12 2.61244430E+04 8.80537800E+00 4 C2H3 C 2 H 3 0298.00 5000.00 1000.00 1 5.93346790E+00 4.01774560E-03-3.96673950E-07-1.44126660E-10 2.37864350E-14 2 3.18543460E+04-8.53031250E+00 2.45927640E+00 7.37147640E-03 2.10987290E-06 3 -1.32164210E-09-1.18478380E-12 3.33522500E+04 1.15562020E+01 4 C2H4 C 2 H 4 0298.00 5000.00 1000.00 1 3.52841880E+00 1.14851850E-02-4.41838530E-06 7.84460050E-10-5.26684850E-14 2 4.42828860E+03 2.23038910E+00-8.61487990E-01 2.79616280E-02-3.38867720E-05 3 2.78515220E-08-9.73787890E-12 5.57304590E+03 2.42114870E+01 4 C2H5 C 2 H 5 0298.00 5000.00 1000.00 1 7.19048020E+00 6.48407730E-03-6.42806470E-07-2.34787940E-10 3.88087730E-14 2 1.06745490E+04-1.47808920E+01 2.69070170E+00 8.71913320E-03 4.41983870E-06 3 9.33870310E-10-3.92777350E-12 1.28704040E+04 1.21381950E+01 4 C2H5CHO C 3 H 6 O 1 0298.00 5000.00 1000.00 1 6.82333522E+00 1.90853432E-02-7.39709202E-06 1.29800026E-09-8.48583472E-14 2 -2.57512656E+04-8.84168400E+00 2.16308440E+00 2.95501260E-02-1.52446250E-05 3 3.49503950E-09-2.38896630E-13-2.42260140E+04 1.61153350E+01 4 C2H5O2 C 2 H 5 O 2 0298.00 5000.00 1000.00 1 6.61764601E+00 1.65504467E-02-6.40831187E-06 1.11992786E-09-7.28372387E-14 2 -5.33064154E+03-5.63825249E+00 1.77950510E+00 3.04938090E-02-2.16376210E-05 3 8.68906300E-09-1.51788460E-12-3.99101970E+03 1.92919500E+01 4 C3H5 C 3 H 5 0300.00 3000.00 1000.00 1 7.00945680E+00 1.31066290E-02-4.65334420E-06 7.45143230E-10-4.43500510E-14 2 1.64129090E+04-1.39461140E+01 1.46980360E+00 1.90343650E-02 1.44804250E-05 3 -3.54686520E-08 1.66475940E-11 1.83258310E+04 1.67241140E+01 4 C3H6 C 3 H 6 0300.00 3000.00 1000.00 1 6.03870234E+00 1.62963931E-02-5.82130800E-06 9.35936829E-10-5.58603143E-14 2 -7.41715057E+02-8.43825992E+00 3.83464468E+00 3.29078952E-03 5.05228001E-05 3 -6.66251176E-08 2.63707473E-11 7.88717123E+02 7.53408013E+00 4 C4H8-1 C 4 H 8 0300.00 3000.00 1000.00 1 7.86795262E+00 2.24448843E-02-8.07705438E-06 1.30179988E-09-7.77958472E-14 2 -4.23853340E+03-1.65662549E+01 5.13226136E+00 5.33862838E-03 6.02928960E-05 3 -7.60364685E-08 2.87324693E-11-2.16718358E+03 3.82936810E+00 4 C4H9-1 C 4 H 9 0300.00 3000.00 1000.00 1 8.97401527E+00 2.39704154E-02-8.48703645E-06 1.35644127E-09-8.06234913E-14 2 5.19161526E+03-2.31075609E+01 4.73737837E+00 9.69051565E-03 6.63846383E-05 3 -9.24799302E-08 3.74006099E-11 7.57382332E+03 4.91063455E+00 4 C7H14-D1 C 7 H 14 0298.00 5000.00 1000.00 1 1.40186049E+01 4.16364436E-02-1.59997014E-05 2.78831874E-09-1.81272164E-13 2 -1.48796258E+04-4.37030425E+01-1.67720550E+00 8.24611600E-02-5.46504110E-05 3 1.87862300E-08-2.65737980E-12-1.02168600E+04 3.85068030E+01 4 C7H14-D2 C 7 H 14 0298.00 5000.00 1000.00 1 1.33981541E+01 4.22934730E-02-1.62740292E-05 2.83904003E-09-1.84720081E-13 2 -1.61557985E+04-4.06593567E+01-1.16533280E+00 7.90439810E-02-4.96101670E-05 3 1.58569010E-08-2.05346430E-12-1.17362360E+04 3.59871070E+01 4 C7H14-D3 C 7 H 14 0298.00 5000.00 1000.00 1 1.34251011E+01 4.23843806E-02-1.63280017E-05 2.84950770E-09-1.85396850E-13 2 -1.61043883E+04-4.07095130E+01-2.03026990E+00 8.26324380E-02-5.45514470E-05 3 1.87705820E-08-2.67571220E-12-1.15141030E+04 4.02316270E+01 4 C7H15O2-HP2R1 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.95887095E+01 4.51250000E-02-1.77589724E-05 3.14344859E-09-2.06558942E-13 2 -1.95747485E+04-6.55718862E+01 1.51527020E-01 9.84303100E-02-7.20555130E-05 3 2.78535130E-08-4.48821030E-12-1.40125600E+04 3.53720990E+01 4 C7H15O2-HP4R2 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.89511646E+01 4.53904802E-02-1.77933454E-05 3.14342964E-09-2.06370988E-13 2 -2.07425535E+04-6.21960439E+01 8.49786010E-01 9.25107200E-02-6.25359830E-05 3 2.17880390E-08-3.12720400E-12-1.53640680E+04 3.26102670E+01 4 C7H15O2-HP4R3 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.89511646E+01 4.53904802E-02-1.77933454E-05 3.14342964E-09-2.06370988E-13 2 -2.07425535E+04-6.21960439E+01 8.49786010E-01 9.25107200E-02-6.25359830E-05 3 2.17880390E-08-3.12720400E-12-1.53640680E+04 3.26102670E+01 4 C7H15O2-P1 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.66264958E+01 4.74247835E-02-1.83838439E-05 3.21964307E-09-2.09912354E-13 2 -2.34936157E+04-4.91688364E+01 2.37499330E+00 8.34651910E-02-5.13897320E-05 3 1.64217660E-08-2.19505220E-12-1.91638570E+04 2.58351690E+01 4 C7H15O2-P4 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.72932756E+01 4.65396423E-02-1.79677710E-05 3.13697856E-09-2.04015026E-13 2 -2.54341218E+04-5.42399268E+01 1.51378170E+00 8.85572750E-02-5.92457150E-05 3 2.11801860E-08-3.20741720E-12-2.08142510E+04 2.81187430E+01 4 C7H15-R1 C 7 H 15 0298.00 5000.00 1000.00 1 1.43032619E+01 4.38421871E-02-1.68812371E-05 2.94608607E-09-1.91727734E-13 2 -5.56352625E+03-4.33508283E+01-4.99570410E-01 8.08826470E-02-5.00532750E-05 3 1.56549310E-08-1.96616230E-12-1.04590220E+03 3.46564010E+01 4 C7H15-R4 C 7 H 15 0298.00 5000.00 1000.00 1 1.40095829E+01 4.38124344E-02-1.68542618E-05 2.94631558E-09-1.92264008E-13 2 -6.90270813E+03-4.20285403E+01-3.79155770E-02 7.56726570E-02-4.07473630E-05 3 9.32678940E-09-4.92360750E-13-2.35605300E+03 3.30426690E+01 4 CH2CHO C 2 H 3 O 1 0298.00 5000.00 1000.00 1 5.97566990E+00 8.13059140E-03-2.74362450E-06 4.07030410E-10-2.17601710E-14 2 4.90321780E+02-5.04525090E+00 3.40906240E+00 1.07385740E-02 1.89149250E-06 3 -7.15858310E-09 2.86738510E-12 1.52147660E+03 9.55829050E+00 4 CH2CO C 2 H 2 O 1 0298.00 5000.00 1000.00 1 6.03881740E+00 5.80484050E-03-1.92095380E-06 2.79448460E-10-1.45886750E-14 2 -8.58340230E+03-7.65758130E+00 2.97497080E+00 1.21187120E-02-2.34504570E-06 3 -6.46668500E-09 3.90564920E-12-7.63263670E+03 8.67355250E+00 4 CH2O C 1 H 2 O 1 0298.00 5000.00 1000.00 1 2.99560620E+00 6.68132120E-03-2.62895470E-06 4.73715290E-10-3.21251750E-14 2 -1.53203690E+04 6.91257240E+00 1.65273120E+00 1.26314390E-02-1.88816850E-05 3 2.05003140E-08-8.41323710E-12-1.48654040E+04 1.37848200E+01 4 CH3 C 1 H 3 0298.00 5000.00 1000.00 1 2.84405160E+00 6.13797410E-03-2.23034520E-06 3.78516080E-10-2.45215900E-14 2 1.64378090E+04 5.45269730E+00 2.43044280E+00 1.11240990E-02-1.68022030E-05 3 1.62182870E-08-5.86495260E-12 1.64237810E+04 6.78979400E+00 4 CH3CHO C 2 H 4 O 1 0298.00 5000.00 1000.00 1 5.86865040E+00 1.07942410E-02-3.64553030E-06 5.41291230E-10-2.89684420E-14 2 -2.26456870E+04-6.01294610E+00 2.50569530E+00 1.33699070E-02 4.67195330E-06 3 -1.12814010E-08 4.26356610E-12-2.12458870E+04 1.33508870E+01 4 CH4 C 1 H 4 0300.00 3000.00 1000.00 1 1.65326226E+00 1.00263099E-02-3.31661238E-06 5.36483138E-10-3.14696758E-14 2 -1.00095936E+04 9.90506283E+00 5.14911468E+00-1.36622009E-02 4.91453921E-05 3 -4.84246767E-08 1.66603441E-11-1.02465983E+04-4.63848842E+00 4 CO C 1 O 1 0298.00 5000.00 1000.00 1 3.02507800E+00 1.44268850E-03-5.63082700E-07 1.01858130E-10-6.91095100E-15 2 -1.42683500E+04 6.10821700E+00 3.26245100E+00 1.51194090E-03-3.88175500E-06 3 5.58194400E-09-2.47495100E-12-1.43105390E+04 4.84889700E+00 4 CO2 C 1 O 2 0298.00 5000.00 1000.00 1 4.45362300E+00 3.14016800E-03-1.27841050E-06 2.39399600E-10-1.66903330E-14 2 -4.89669600E+04-9.55395900E-01 2.27572400E+00 9.92207200E-03-1.04091130E-05 3 6.86668600E-09-2.11728000E-12-4.83731400E+04 1.01884880E+01 4 H H 1 0298.00 5000.00 1000.00 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.54716200E+04-4.60117600E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.54716200E+04-4.60117600E-01 4 H2 H 2 0298.00 5000.00 1000.00 1 2.99142300E+00 7.00064400E-04-5.63382800E-08-9.23157800E-12 1.58275190E-15 2 -8.35034000E+02-1.35511010E+00 3.29812400E+00 8.24944100E-04-8.14301500E-07 3 -9.47543400E-11 4.13487200E-13-1.01252090E+03-3.29409400E+00 4 H2O H 2 O 1 0298.00 5000.00 1000.00 1 2.67214500E+00 3.05629300E-03-8.73026000E-07 1.20099640E-10-6.39161800E-15 2 -2.98992100E+04 6.86281700E+00 3.38684200E+00 3.47498200E-03-6.35469600E-06 3 6.96858100E-09-2.50658800E-12-3.02081100E+04 2.59023200E+00 4 H2O2 H 2 O 2 0298.00 5000.00 1000.00 1 4.57316700E+00 4.33613600E-03-1.47468880E-06 2.34890300E-10-1.43165360E-14 2 -1.80069600E+04 5.01136900E-01 3.38875300E+00 6.56922600E-03-1.48501250E-07 3 -4.62580500E-09 2.47151400E-12-1.76631400E+04 6.78536300E+00 4 HCCO C 2 H 1 O 1 0298.00 5000.00 1000.00 1 6.75807280E+00 2.00040030E-03-2.02760730E-07-1.04113180E-10 1.96516470E-14 2 1.90151330E+04-9.07126240E+00 5.04796510E+00 4.45347790E-03 2.26828280E-07 3 -1.48209460E-09 2.25074150E-13 1.96589180E+04 4.81843950E-01 4 HCO C 1 H 1 O 1 0298.00 5000.00 1000.00 1 3.55727100E+00 3.34557200E-03-1.33500600E-06 2.47057200E-10-1.71385000E-14 2 3.91632400E+03 5.55229900E+00 2.89832900E+00 6.19914600E-03-9.62308400E-06 3 1.08982490E-08-4.57488500E-12 4.15992200E+03 8.98361400E+00 4 HO2 H 1 O 2 0298.00 5000.00 1000.00 1 4.07219100E+00 2.13129600E-03-5.30814500E-07 6.11226900E-11-2.84116400E-15 2 -1.57972700E+02 3.47602900E+00 2.97996300E+00 4.99669700E-03-3.79099700E-06 3 2.35419200E-09-8.08902400E-13 1.76227300E+02 9.22272400E+00 4 N2 N 2 0298.00 5000.00 1000.00 1 2.92664000E+00 1.48797680E-03-5.68476000E-07 1.00970380E-10-6.75335100E-15 2 -9.22797700E+02 5.98052800E+00 3.29867700E+00 1.40824040E-03-3.96322200E-06 3 5.64151500E-09-2.44485400E-12-1.02089990E+03 3.95037200E+00 4 N-C3H7 C 3 H 7 0300.00 3000.00 1000.00 1 6.49636579E+00 1.77337992E-02-6.24898046E-06 9.95389495E-10-5.90199770E-14 2 8.85973885E+03-8.56389710E+00 4.08211458E+00 5.23240341E-03 5.13554466E-05 3 -6.99343598E-08 2.81819493E-11 1.04074558E+04 8.39534919E+00 4 N-C3H7CHO C 4 H 8 O 1 0298.00 5000.00 1000.00 1 9.11049650E+00 2.48920174E-02-9.64090319E-06 1.69208168E-09-1.10685973E-13 2 -2.94036947E+04-1.93339647E+01 1.87415960E+00 4.19240320E-02-2.35148780E-05 3 6.26913670E-09-6.09443910E-13-2.71032190E+04 1.91568570E+01 4 N-C7H16 C 7 H 16 0298.00 5000.00 1000.00 1 1.42741710E+01 4.66552000E-02-1.79544290E-05 3.13197176E-09-2.03749972E-13 2 -3.04111387E+04-4.65679819E+01-1.26836190E+00 8.54355820E-02-5.25346790E-05 3 1.62945720E-08-2.02394930E-12-2.56586570E+04 3.53732910E+01 4 O O 1 0298.00 5000.00 1000.00 1 2.54205900E+00-2.75506100E-05-3.10280300E-09 4.55106700E-12-4.36805100E-16 2 2.92308000E+04 4.92030800E+00 2.94642800E+00-1.63816650E-03 2.42103100E-06 3 -1.60284310E-09 3.89069600E-13 2.91476400E+04 2.96399500E+00 4 O2 O 2 0298.00 5000.00 1000.00 1 3.69757800E+00 6.13519700E-04-1.25884200E-07 1.77528100E-11-1.13643540E-15 2 -1.23393010E+03 3.18916500E+00 3.21293600E+00 1.12748640E-03-5.75615000E-07 3 1.31387730E-09-8.76855400E-13-1.00524900E+03 6.03473700E+00 4 OH H 1 O 1 0298.00 5000.00 1000.00 1 2.88273000E+00 1.01397430E-03-2.27687700E-07 2.17468300E-11-5.12630500E-16 2 3.88688800E+03 5.59571200E+00 3.63726600E+00 1.85091000E-04-1.67616460E-06 3 2.38720200E-09-8.43144200E-13 3.60678100E+03 1.35886050E+00 4 L1 C 7 H 15 O 4 0298.00 5000.00 1000.00 1 2.26318387E+01 4.79560163E-02-1.89817067E-05 3.37238202E-09-2.22168070E-13 2 -3.81076972E+04-7.70012698E+01 1.89718000E+00 1.06229800E-01-8.02770220E-05 3 3.23649090E-08-5.45850470E-12-3.22790230E+04 3.02474610E+01 4 L2 C 7 H 15 O 4 0298.00 5000.00 1000.00 1 2.36990263E+01 4.68488081E-02-1.85250455E-05 3.28863589E-09-2.16508892E-13 2 -4.07926132E+04-8.32660754E+01 1.40912480E+00 1.10720830E-01-8.71178070E-05 3 3.63662750E-08-6.28350690E-12-3.46304790E+04 3.16223380E+01 4 L3 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.87548373E+01 4.52043638E-02-1.76738856E-05 3.12202985E-09-2.05175371E-13 2 -1.83848100E+04-6.01136445E+01 1.11146210E+00 8.91595390E-02-5.67352380E-05 3 1.78890090E-08-2.22260210E-12-1.29868310E+04 3.29200050E+01 4 L5 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.89511646E+01 4.53904802E-02-1.77933454E-05 3.14342964E-09-2.06370988E-13 2 -2.07425535E+04-6.15065619E+01 8.49786010E-01 9.25107200E-02-6.25359830E-05 3 2.17880390E-08-3.12720400E-12-1.53640680E+04 3.32997490E+01 4 L52 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.89511646E+01 4.53904802E-02-1.77933454E-05 3.14342964E-09-2.06370988E-13 2 -2.07425535E+04-6.15065619E+01 8.49786010E-01 9.25107200E-02-6.25359830E-05 3 2.17880390E-08-3.12720400E-12-1.53640680E+04 3.32997490E+01 4 L53 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.89511646E+01 4.53904802E-02-1.77933454E-05 3.14342964E-09-2.06370988E-13 2 -2.07425535E+04-6.15065619E+01 8.49786010E-01 9.25107200E-02-6.25359830E-05 3 2.17880390E-08-3.12720400E-12-1.53640680E+04 3.32997490E+01 4 L7 C 7 H 15 O 2 0298.00 5000.00 1000.00 1 1.72932756E+01 4.65396423E-02-1.79677710E-05 3.13697856E-09-2.04015026E-13 2 -2.54341218E+04-5.35504448E+01 1.51378170E+00 8.85572750E-02-5.92457150E-05 3 2.11801860E-08-3.20741720E-12-2.08142510E+04 2.88082250E+01 4 L9 C 7 H 15 0298.00 5000.00 1000.00 1 1.40095829E+01 4.38124344E-02-1.68542618E-05 2.94631558E-09-1.92264008E-13 2 -6.90270813E+03-4.13390583E+01-3.79155770E-02 7.56726570E-02-4.07473630E-05 3 9.32678940E-09-4.92360750E-13-2.35605300E+03 3.37321510E+01 4 L11 C 7 H 14 O 3 0298.00 5000.00 1000.00 1 1.99598021E+01 4.52275593E-02-1.79189495E-05 3.18627009E-09-2.10063342E-13 2 -5.76629644E+04-6.63346815E+01 1.52936690E+00 9.58173470E-02-6.96688520E-05 3 2.69540380E-08-4.38728130E-12-5.23839540E+04 2.93851330E+01 4 L12 C 7 H 14 O 3 0298.00 5000.00 1000.00 1 1.90243073E+01 4.61347422E-02-1.82709943E-05 3.24751440E-09-2.14017744E-13 2 -5.50969049E+04-6.04361159E+01 2.77522940E+00 9.05308440E-02-6.36476020E-05 3 2.42107780E-08-3.94769760E-12-5.04144220E+04 2.40464050E+01 4 L14 C 7 H 14 O 3 0298.00 5000.00 1000.00 1 1.98478473E+01 4.52430630E-02-1.78894777E-05 3.17543750E-09-2.09028028E-13 2 -5.76923233E+04-6.53148573E+01 2.32269740E+00 9.45160150E-02-6.99057180E-05 3 2.79772920E-08-4.74244430E-12-5.27586830E+04 2.53458270E+01 4 NO O 1 N 1 0298.00 5000.00 1000.00 1 3.26060560E+00 1.19110430E-03-4.29170480E-07 6.94576690E-11-4.03360990E-15 2 9.92097460E+03 6.36930270E+00 4.21847630E+00-4.63897600E-03 1.10410220E-05 3 -9.33613540E-09 2.80357700E-12 9.84462300E+03 2.28084640E+00 4 NO2 O 2 N 1 0298.00 5000.00 1000.00 1 4.88475420E+00 2.17239560E-03-8.28069060E-07 1.57475100E-10-1.05108950E-14 2 2.31649830E+03-1.17416950E-01 3.94403120E+00-1.58542900E-03 1.66578120E-05 3 -2.04754260E-08 7.83505640E-12 2.89661790E+03 6.31199170E+00 4 N N 1 0298.00 5000.00 1000.00 1 2.41594290E+00 1.74890650E-04-1.19023690E-07 3.02262450E-11-2.03609820E-15 2 5.61337730E+04 4.64960960E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 5.61046370E+04 4.19390870E+00 4 END