AR 0 136.0 3.33 0.00 0.00 0.0 HE 0 10.2 2.57 0.00 0.00 0.0 N2 1 97.5 3.62 0.00 1.76 4.0 H 0 145.0 2.05 0.00 0.00 0.0 O 0 80.0 2.75 0.00 0.00 0.0 OH 1 80.0 2.75 0.00 0.00 0.0 H2 1 38.0 2.92 0.00 0.79 280.0 O2 1 107.0 3.46 0.00 1.60 3.8 HO2 2 107.0 3.46 0.00 0.00 1.0 H2O2 2 107.0 3.46 0.00 0.00 3.8 CO 1 98.1 3.65 0.00 1.95 1.8 CO2 1 244.0 3.76 0.00 2.65 2.1 HCO 2 498.0 3.59 0.00 0.00 0.0 OH* 1 80.0 2.75 0.00 0.00 0.0 ! = OH H2O 2 572.0 2.6 1.84 0.00 4.0 CH2O 2 498.0 3.59 0.0 0.00 2.0 CH 1 80.0 2.75 0.0 0.00 0.0 C 0 71.4 3.3 0.0 0.00 0.0 CH2-3 1 144.0 3.8 0.0 0.00 0.0 CH2-1 1 144.0 3.8 0.0 0.00 0.0 C2H2 1 209.0 4.1 0.0 0.00 2.5 CH3 1 144.0 3.8 0.0 0.00 0.0 CH4 2 141.0 3.75 0.0 2.60 13.0 HOCHO 2 436.0 3.97 0.0 0.00 2.0 ! = CH2CO CH2OH 2 417.0 3.69 1.7 0.00 2.0 ! OCHO 2 485.4 4.41 0.0 0.00 1.0 ! Zhao 2008 CH3O 2 417.0 3.69 1.7 0.00 2.0 C2H4 2 281.0 3.97 0.0 0.00 1.5 CH2CO 2 436.0 3.97 0.0 0.00 2.0 C2H6 2 252.0 4.3 0.0 0.00 1.5 CH3OH 2 482.0 3.63 0.0 0.00 1.0 CH3O2 2 482.0 3.63 0.0 0.00 1.0 CH3O2H 2 482.0 3.63 0.0 0.00 1.0 C2H3 2 209.0 4.1 0.0 0.00 1.0 C2H5 2 252.0 4.3 0.0 0.00 1.5 C2H5OH 2 225.0 4.16 0.0 0.00 1.0 C2H5O 2 225.0 4.16 0.0 0.00 1.0 CH3CHO 2 436.0 3.97 0.0 0.00 2.0 CH3CO 2 436.0 3.97 0.0 0.00 2.0 CH2O2H 2 417.0 3.69 1.7 0.00 2.0 ! Hashemi et al.; Combustion and Flame 182 (2017) 150–166 C2H 1 209.0 4.1 0.0 0.00 2.5 C2 1 97.53 3.621 0.0 1.76 4.0 C2O 1 232.0 3.83 0.0 0.00 1.0 HCCO 2 150.0 2.5 0.0 0.00 1.0 H2CC 1 209.0 4.1 0.0 0.00 2.5 ! Aramco 2.0 C3H3 2 252.0 4.76 0.0 0.00 1.0 C4H2 1 357.0 5.18 0.0 0.00 1.0 C3H5 2 260.0 4.85 0.0 0.00 1.0 CH2CHO 2 436.0 3.97 0.0 0.00 2.0 C2H3OO 2 436.0 3.97 0.0 0.00 2.0 ! Aramco 2.0 HCCOH 2 436.0 3.97 0.0 0.00 2.0 C4H4 2 357.0 5.18 0.0 0.00 1.0 C2H2OH 2 224.7 4.162 0.0 0.00 1.0 ! Togbe 2011 C2H3CHO 2 428.8 4.958 2.9 0.00 1.0 ! Burke 2014; Combustion and Flame 161 (2014) 2765–2784 C3H4O 2 411.0 4.82 0.0 0.00 1.0 CHCHO 2 436.0 3.97 0.0 0.00 2.0 ! Aramco 2.0 CHOCHO 1 440.2 4.01 0.0 0.00 2.0 ! Aramco 2.0 CHOCO 2 436.0 3.97 0.0 0.00 2.0 ! Togbe 2011 CH3CO2 2 436.0 3.97 0.0 0.00 2.0 ! CH3CO2H 2 460.8 4.90 0.0 0.00 1.0 ! CH2CO2H 2 1827.403 4.136 1.706 5.020 2.0 ! theoret trans | Savchenkova et al., Combustion and Flame 218 (2020) 28–41 CH3CO3 2 436.0 3.97 0.0 0.00 2.0 ! CH2COO2H 2 436.0 3.97 0.0 0.00 2.0 ! = CH3CO3 O2CH2COO2H 2 436.0 3.97 0.0 0.00 2.0 ! HO2COCHO 2 436.0 3.97 0.0 0.00 2.0 ! OCOCHO 1 440.2 4.01 0.0 0.00 2.0 ! O2CH2CHO 2 275.049 5.428 0.000 0.00 1.0 ! HO2CH2CO 2 279.007 5.505 1.300 0.00 1.0 ! CYH2COCO 2 279.007 5.505 1.300 0.00 1.0 ! est = HO2CH2CO | CYH2COCO = H2COCO# CH2CO2 2 279.007 5.505 1.300 0.00 1.0 ! est = HO2CH2C HOCH2CH2O2 2 430.8 4.7 0.00 0.00 1.0 ! Hashemi 2020 HCOH 2 313.0 3.6 0.00 0.00 1.0 ! Hashemi 2020 CH3CO3H 2 436.0 3.97 0.0 0.00 2.0 ! C3H6 2 267.0 4.98 0.0 0.00 1.0 ! C3H8 2 267.0 4.98 0.0 0.00 1.0 ! I-C3H7 2 267.0 4.98 0.0 0.00 1.0 ! N-C3H7 2 267.0 4.98 0.0 0.00 1.0 ! C3H4 1 252.0 4.76 0.0 0.00 1.0 ! C3H4P 1 252.0 4.76 0.0 0.00 1.0 ! CH2CHOH 2 436.0 3.97 0.0 0.00 2.0 ! CH3CHOH 2 225.0 4.16 0.0 0.00 1.0 ! CH2CH2OH 2 225.0 4.16 0.0 0.00 1.0 ! C2H5O2 2 252.0 4.3 0.0 0.00 1.5 ! C2H4O1-2 2 436.0 3.97 0.0 0.00 2.0 ! C2H5O2H 2 471.0 4.41 0.0 0.00 1.5 ! C2H5CHO 2 435.0 4.66 2.7 0.00 1.0 ! C2H5CO 2 425.0 4.82 0.0 0.00 1.0 ! C2H4O2H 2 471.0 4.41 0.0 0.00 1.5 ! C2H3O1-2 2 436.0 3.97 0.0 0.00 2.0 ! Burke 2014; Combustion and Flame 161 (2014) 2765–2784 CH3OCH3-DME 2 395.0 4.037 1.3 0.00 1.0 ! Zhao 2008 CH3OCH2 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 CH3OCH2O2 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 CH3OCH2O2H 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 CH3OCH2O 2 470.9 4.862 0.0 0.00 1.0 ! Zhao 2008 CH3OCHO 2 406.5 4.709 0.0 0.00 1.0 ! Zhao 2008 CH2OCHO 2 395.0 4.037 1.3 0.00 1.0 ! Zhao 2008 CH3OCO 2 406.5 4.709 0.0 0.00 1.0 ! Zhao 2008 CH2OCH2O2H 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 O2CH2OCH2O2H 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 HO2CH2OCHO 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 OCH2OCHO 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 HOCH2OCO 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 HOCH2O 2 481.8 3.626 0.0 0.00 1.0 ! Zhao 2008 CH* 1 80.00 2.75 0.0 0.00 0.0 ! = CH !---------------------------------------------------------------------! !------------------- DMM tarnsport properties ------------------------! !---------------------------------------------------------------------! ! ------ sub-mechansism DMM: ----------------------------------------! ! Jacobs et al 2019; Combustion and Flame 205 (2019) 522-533; https://doi.org/10.1016/j.combustflame.2018.12.026 CH3OCH2OCH3 2 370.815 5.500 0.000 0.000 0.00 ! CH3OCH2OCH2 2 367.798 5.510 0.000 0.000 0.00 ! CH3OCHOCH3 2 367.798 5.510 0.000 0.000 0.00 ! CH3OCH2OCH2O2 2 455.364 6.420 0.000 0.000 0.00 ! CH3OCO2HOCH3 2 457.757 6.450 0.000 0.000 0.00 ! CH3OCH2OCH2O2H 2 457.984 6.400 0.000 0.000 0.00 ! CH3OCH2OCH2O 2 437.891 6.220 0.000 0.000 0.00 ! CH3OCH2OCHO 2 416.318 5.740 0.000 0.000 0.00 ! CH3OCHOCH2O2H 2 455.364 6.420 0.000 0.000 0.00 ! CH3OCO2HOCH2O2H 2 542.198 7.340 0.000 0.000 0.00 ! CH3OCO2H2OCHO 2 502.763 6.600 0.000 0.000 0.00 ! CH3OCOHOCHO 2 482.957 6.470 0.000 0.000 0.00 ! CH3OCOOHHOCH3 2 460.657 6.390 0.000 0.000 0.00 ! CH3OCOHOCH3 2 440.361 6.250 0.000 0.000 0.00 ! CH3OCO2CH3 2 385.609 5.460 0.000 0.000 0.00 ! CH3OCO2H2OCH2 2 457.757 6.450 0.000 0.000 0.00 ! CH3OCO2HHOCH2O2 2 542.198 7.340 0.000 0.000 0.00 ! CH3OCO2CH2O2H 2 474.103 6.340 0.000 0.000 0.00 ! CH3OCO2CH2O 2 454.172 6.160 0.000 0.000 0.00 ! C3H6O3cy13 2 423.020 5.950 0.000 0.000 0.00 ! trioxan 2 450.640 6.340 0.000 0.000 0.00 ! CH2OCH2OCH2O2H 2 455.384 6.420 0.000 0.000 0.00 ! O2CH2OCH2OCH2O2H 2 540.444 7.310 0.000 0.000 0.00 ! HO2CH2OCH2OCHO 2 549.689 7.150 0.000 0.000 0.00 ! CH3OCO2 2 543.400 5.095 1.700 0.000 1.00 ! CH3OCH2OCO 2 413.263 5.750 0.000 0.000 0.00 ! CH2OCH2OCHO 2 413.259 5.750 0.000 0.000 0.00 ! CH3OCHOCHO 2 413.263 5.750 0.000 0.000 0.00 ! CH3OCO2CH2 2 543.400 5.095 1.700 0.000 1.00 ! CH3OCO2H 2 543.400 5.095 1.700 0.000 1.00 ! CH2OCO2H 2 543.400 5.095 1.700 0.000 1.00 ! OCHOCHO 2 355.751 5.080 0.000 0.000 0.00 ! CH2OCO2HHOCH2O2H 2 542.198 7.340 0.000 0.000 0.00 ! HO2CH2OCHOCH2O2H 2 540.444 7.310 0.000 0.000 0.00 ! OCH2OCH2OCHO 2 480.488 6.440 0.000 0.000 0.00 ! C3H6O3cy13_O2H 2 553.287 7.360 0.000 0.000 0.00 ! trioxan_O2H 2 525.572 7.110 0.000 0.000 0.00 ! !-------------------------Nitrogenated species transport properties---! N 0 71.40 3.298 0.00 0.00 0.0 ! NH 1 80.00 2.650 0.00 0.000 4.00 ! Lamoureux et al. 2016 HNO 2 116.70 3.492 0.00 0.000 1.00 ! Lamoureux et al. 2016 HON 2 116.70 3.492 0.00 0.000 1.00 ! Lamoureux et al. 2016 HONO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 NH2 2 80.00 2.650 0.00 2.260 4.00 ! Lamoureux et al. 2016 H2NO 2 116.70 3.492 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNOH 2 116.70 3.492 0.00 0.000 1.00 ! Lamoureux et al. 2016 NH3 2 481.00 2.920 1.47 0.000 10.0 ! Lamoureux et al. 2016 NNH 2 71.40 3.798 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNNO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 N2H2 2 71.40 3.798 0.00 0.000 1.00 ! Lamoureux et al. 2016 N2H3 2 200.00 3.900 0.00 0.000 1.00 ! Coppens et al. 2007 N2H4 2 205.00 4.230 0.00 4.260 1.50 ! Coppens et al. 2007 H2NN 2 71.40 3.798 0.00 0.000 1.00 ! = N2H2 N2O 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 NO 1 97.53 3.621 0.00 1.760 4.00 ! Lamoureux et al. 2016 NO2 2 200.00 3.500 0.00 0.000 1.00 ! Lamoureux et al. 2016 HCN 1 569.00 3.630 0.00 0.000 1.00 ! Lamoureux et al. 2016 HCNO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 HOCN 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNCO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 HCNN 2 150.00 2.500 0.00 0.000 1.00 ! Lamoureux et al. 2016 H2CN 1 569.00 3.630 0.00 0.000 1.00 ! Lamoureux et al. 2016 CN 1 75.00 3.856 0.00 0.000 1.00 ! Lamoureux et al. 2016 NCO 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 CN2 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 NCN 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 CNN 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 NCNO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 HCNN 2 150.00 2.500 0.00 0.000 1.00 ! Lamoureux et al. 2016 C2N2 1 349.00 4.361 0.00 0.000 1.00 ! Lamoureux et al. 2016 NCCN 1 349.00 4.361 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNC 1 569.00 3.630 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNCN 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 CN 1 75.00 3.856 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNOH 2 116.70 3.492 0.00 0.000 1.00 ! Coppens et al. 2007 NH2OH 2 116.70 3.492 0.00 0.000 1.00 ! Coppens et al. 2007 HNO2 2 232.40 3.828 0.00 0.000 1.00 ! = HONO HONO2 2 232.40 3.828 0.00 0.000 1.00 ! = HONO2 NO3 2 378.40 4.175 0.00 0.000 1.00 ! Coppens et al. 2007 N2O4 2 202.60 5.164 0.00 0.000 1.00 ! Coppens et al. 2007 N2O3 2 202.60 5.164 0.00 0.000 1.00 ! Coppens et al. 2007 HNO3 2 378.40 4.175 0.00 0.000 1.00 ! Coppens et al. 2007 CH3NO 2 232.4 3.828 0.00 0.000 1.00 ! =HCNO CH3ONO 2 232.4 3.828 0.00 0.000 1.00 ! CH3NO2 2 232.4 3.828 0.00 0.000 1.00 ! CH3ONO2 2 232.4 3.828 0.00 0.000 1.00 ! CH2NO2 2 232.4 3.828 0.00 0.000 1.00 ! CH2NO 2 150.0 2.500 0.00 0.000 1.00 ! CH3NH2 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH3NH 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH2NH2 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH2NH 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH2CN 1 232.400 3.828 0.00 0.000 1.00 ! =C2N OIS ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH3CN 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 HCNH 2 232.400 3.828 0.00 0.000 1.00 !=HCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710