! generator: yaml2ck
! cantera-version: 3.0.0a4
! date: Mon, 24 Jun 2024 10:57:15 +0200
! input-files: [‘Z69_DME_20190701.yaml’]
!
! ############################################################# DME mechanism Developed
! by N. Zettervall FOI, Sweden, 2019-07-01 Zettervall, N., Fureby, C., & Nilsson, E. J.
! (2021). Reduced Chemical Kinetic Reaction Mechanism for Dimethyl Ether-Air Combustion.
! Fuels, 2(3), 323-344. #############################################################

ELEM
H O C N
END

SPECIES
CH3OCH3 ! 1/20/11
CH3OCH2 ! 1/20/11
CH3OCH2O2 ! 1/20/11
CH3OCH2O2H ! 1/20/11
CH3O2 ! 7/13/98therm
CH3O2H ! 7/13/98therm
CH3CHO
CH3CO
CH3OCH2O ! 2/9/96THERM
CH3OH
HO2CH2OCHO ! 8/31/99THERM
CH2OCH2O2H ! 7/20/98THERM
CH4 ! RRHOg8/99
CH3
CH2 ! SINGLETIU3/03
CH
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

CH3OCH3 C 2H 6O 1 G300.000 5000.000 1367.000 1
7.36358679E+00 1.38910153E-02-4.74083257E-06 7.34874498E-10-4.25867578E-14 2
-2.61148074E+04-1.61332876E+01 2.41860337E+00 1.87279640E-02-1.40894592E-06 3
-4.28367822E-09 1.36818123E-12-2.36771735E+04 1.28877967E+01 4
CH3OCH2 C 2H 5O 1 G300.000 5000.000 1389.000 1
6.73134670E+00 1.18022530E-02-4.00104434E-06 6.17227325E-10-3.56435023E-14 2
-3.34933412E+03-9.40782513E+00 2.19172957E+00 1.90390966E-02-6.81450700E-06 3
8.63577609E-11 3.23902492E-13-1.38948253E+03 1.62440756E+01 4
CH3OCH2O2 C 2H 5O 3 G300.000 5000.000 1399.000 1
1.22024149E+01 1.19225104E-02-4.06624713E-06 6.30079576E-10-3.65065312E-14 2
-2.40327175E+04-3.38665462E+01 1.72101041E+00 3.78155492E-02-2.89668870E-05 3
1.16796117E-08-1.93234479E-12-2.05308597E+04 2.19296296E+01 4
CH3OCH2O2H C 2H 6O 3 G300.000 5000.000 1402.000 1
1.46617126E+01 1.20544674E-02-4.13604704E-06 6.43721637E-10-3.74188832E-14 2
-4.18896186E+04-4.81293252E+01 7.37369081E-01 4.67410003E-02-3.73051936E-05 3
1.50735309E-08-2.43781978E-12-3.73260287E+04 2.57932851E+01 4
CH3O2 C 1H 3O 2 G300.000 5000.000 1385.000 1
5.95787891E+00 7.90728626E-03-2.68246234E-06 4.13891337E-10-2.39007330E-14 2
-1.53574838E+03-4.71963886E+00 4.26146906E+00 1.00873599E-02-3.21506184E-06 3
2.09409267E-10 4.18339103E-14-6.84394259E+02 5.16330320E+00 4
CH3O2H C 1H 4O 2 G300.000 5000.000 1390.000 1
8.43117091E+00 8.06817909E-03-2.77094921E-06 4.31332243E-10-2.50692146E-14 2
-1.96678771E+04-1.91170629E+01 3.23442817E+00 1.90129767E-02-1.13386287E-05 3
3.40306653E-09-4.11830222E-13-1.77197926E+04 9.25623949E+00 4
CH3CHO C 2H 4O 1 G200.000 6000.000 1000.000 1
5.40411080E+00 1.17230590E-02-4.22631370E-06 6.83724510E-10-4.09848630E-14 2
-2.25931220E+04-3.48079170E+00 4.72945950E+00-3.19328580E-03 4.75349210E-05 3
-5.74586110E-08 2.19311120E-11-2.15728780E+04 4.10301590E+00 4
CH3CO C 2H 3O 1 G200.000 6000.000 1000.000 1
5.31371650E+00 9.17377930E-03-3.32203860E-06 5.39474560E-10-3.24523680E-14 2
-3.64504140E+03-1.67575580E+00 4.03587050E+00 8.77294870E-04 3.07100100E-05 3
-3.92475650E-08 1.52968690E-11-2.68207380E+03 7.86176820E+00 4
CH3OCH2O C 2H 5O 2 G300.000 5000.000 2012.000 1
8.60261845E+00 1.35772195E-02-4.84661602E-06 7.77766193E-10-4.62633624E-14 2
-2.13762444E+04-1.75775023E+01 3.25889339E+00 2.22146359E-02-7.78556340E-06 3
-2.41484158E-10 4.51914496E-13-1.92377212E+04 1.23680069E+01 4
CH3OH C 1H 4O 1 G200.000 6000.000 1000.000 1
3.52726795E+00 1.03178783E-02-3.62892944E-06 5.77448016E-10-3.42182632E-14 2
-2.60028834E+04 5.16758693E+00 5.65851051E+00-1.62983419E-02 6.91938156E-05 3
-7.58372926E-08 2.80427550E-11-2.56119736E+04-8.97330508E-01 4
HO2CH2OCHO C 2H 4O 4 G300.000 5000.000 1387.000 1
1.64584298E+01 8.52683511E-03-3.04113500E-06 4.85596908E-10-2.87316334E-14 2
-6.23959608E+04-5.38924139E+01 3.47935703E+00 4.02952392E-02-3.30109296E-05 3
1.34360117E-08-2.18601580E-12-5.80629934E+04 1.52521392E+01 4
CH2OCH2O2H C 2H 5O 3 G300.000 5000.000 1393.000 1
1.51191783E+01 9.23718883E-03-3.19127505E-06 4.99114678E-10-2.91162488E-14 2
-1.84114867E+04-4.85706618E+01 2.52895507E+00 4.24128290E-02-3.73406386E-05 3
1.66639333E-08-2.96443312E-12-1.44293306E+04 1.76899251E+01 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
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
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
CH3OCH3 (+M) => CH3 + CH3O (+M) 4.38e+21 -1.57 83890.0
LOW /7520000000000001.0 0.0 42790.0/
TROE /0.454 1E-30 2510/
CH3OCH3 + OH => CH3OCH2 + H2O 6324000.000000001 2.0 -651.7
CH3OCH3 + H => CH3OCH2 + H2 7721000.000000001 2.09 3384.0
CH3OCH3 + O => CH3OCH2 + OH 775000000.0000001 1.36 2250.0
CH3O2 + CH3OCH3 => CH3O2H + CH3OCH2 16800000000000.004 0.0 13690.0
CH3O2H + CH3OCH2 => CH3O2 + CH3OCH3 228700000000000.03 -0.8 7270.0
CH3CO + CH3OCH3 => CH3CHO + CH3OCH2 774600000000.0001 0.28 16980.0
CH3O + CH3OCH3 => CH3OCH2 + CH3OH 602000000000.0001 0.0 4074.0
CH3OCH3 + O2 => CH3OCH2 + HO2 41000000000000.01 0.0 44910.0
CH3OCH2 => CH2O + CH3 16000000000000.0 0.0 25500.0
CH3OCH2 + O2 => CH3OCH2O2 2000000000000.0002 0.0 0.0
2 CH3OCH2O2 => 2 CH3OCH2O + O2 1.5470000000000004e+23 -4.5 0.0
CH3OCH2O2 => CH3OCH2 + O2 4.439e+19 -1.59 36240.0
CH3CHO + CH3OCH2O2 => CH3CO + CH3OCH2O2H 2800000000000.0005 0.0 13600.0
CH3OCH2O + OH => CH3OCH2O2H 20000000000000.004 0.0 0.0
CH3OCH2O => CH2O + CH3O 5180000000000.0 -0.13 19370.0
CH3OCH2O2H => CH3OCH2O + OH 4.384e+21 -1.94 41700.0
CH3OCH2O2 => CH2OCH2O2H 2200000000.0 0.0 10846.08
CH2OCH2O2H => CH3OCH2O2 2200000000.0 0.0 500.0
CH2OCH2O2H => 2 CH2O + OH 15000000000000.0 0.0 30500.0
CH2OCH2O2H + O2 => HO2CH2OCHO + OH 2.8600000000000004e+16 -1.48 1873.09
HO2CH2OCHO => CH2O + CO2 + H + OH 2.5e+16 0.0 43000.0
HO2CH2OCHO => CH2O + CO + 2 OH 2.5e+16 0.0 38000.0
CH3 + O2 + M => CH3O2 + M 24000000000000.004 0.0 28812.0
2 CH3O2 => 2 CH3O + O2 1.4000000000000002e+16 -1.61 1860.0
CH3OCH2O2 + CH3OCH3 => CH3CO + CH3OCH2O2H + H2 2800000000000.0005 0.0 10600.0
CH3OH (+M) => CH3 + OH (+M) 1.9e+16 0.0 91730.0
LOW /2.9500000000000006e+44 -7.35 95460.0/
TROE /0.414 279 5459/
CO/2.000E+00/ CO2/3.000E+00/ H2/2.000E+00/ H2O/1.600E+01/
H + O2 => O + OH 150000000000000.03 0.0 16800.0
O + OH => H + O2 12000000000000.002 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 6000000000.000001 1.3 18588.0
2 OH => H2O + O 600000000.0000001 1.3 0.0
H2O + O => 2 OH 4000000000.0000005 1.3 17029.000000000004
H + O2 + M => HO2 + M 2.2000000000000005e+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 20400.0
CH4 (+M) => CH3 + H (+M) 630000000000000.0 0.0 104000.0
LOW /1.0000000000000002e+17 0.0 86000.0/
CH3OCH3/3.000E+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/
CH3 + H (+M) => CH4 (+M) 5200000000000.001 0.0 -1310.0
LOW /825000000000000.1 0.0 -19310.0/
CH3OCH3/3.000E+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/
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 140000000000000.03 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 30000000000000.004 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 200000000000000.03 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 11300000.000000002 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
END

TRANSPORT
CH3OCH3 2 395.000 4.037 1.300 0.000 1.000
CH3OCH2 2 395.000 4.037 1.300 0.000 1.000
CH3OCH2O2 2 395.000 4.037 1.300 0.000 1.000
CH3OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
CH3O2 2 481.800 3.626 1.700 0.000 1.000
CH3O2H 2 481.800 3.626 1.700 0.000 1.000
CH3CHO 2 436.000 3.970 0.000 0.000 2.000
CH3CO 2 436.000 3.970 0.000 0.000 2.000
CH3OCH2O 2 395.000 4.037 1.300 0.000 1.000
CH3OH 2 481.800 3.626 0.000 0.000 1.000
HO2CH2OCHO 2 329.400 4.624 0.000 0.000 1.000
CH2OCH2O2H 2 329.400 4.624 0.000 0.000 1.000
CH4 2 141.400 3.746 0.000 2.600 13.000
CH3 1 144.000 3.800 0.000 0.000 0.000
CH2 1 144.000 3.800 0.000 0.000 0.000
CH 1 80.000 2.750 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