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Home All issues Volume 682 (February 2024) A&A, 682 (2024) A52 Full HTML
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Table A.1

Experimental conditions used for comparison and simulation with each C/H/O/N mechanism.

Nº Npoillts Reaction conditions Measured quantity Variable Temperature (K) Pressure (bar) Reaction time (s)
1 15 CH3OH Combustion IDT Temperature 1000 - 1500 10.18, 49.18 N/A
2 33 CH3OH Combustion Mole Fraction Time 823 0.26 26
3 112 CH3OH Combustion Mole Fraction Time 949 2.5 0.5
4 99 CH3OH Pyrolysis Mole Fraction Time 1266, 1368, 1458, 1567, 1610 2.5, 2.4, 2.3, 2.1, 2.2 0.0015
5 48 CH3OH Combustion Mole Fraction Temperature 700 - 1200 20 1
6 54 CH3OH Combustion Mole Fraction Time 1000 1 0.27
7 64 CH3OH Combustion Mole Fraction Time 1031 1 0.125
8 68 CH3OH Combustion Mole Fraction Time 783 15 3.5
9 72 CH4 Combustion Mole Fraction Temperature 900 - 1200 10 1
10 24 H2 Combustion Mole Fraction Temperature 800 - 1150 10 1
11 61 H2 Combustion Mole Fraction Time 934 3.02 0.7
12 16 H2 Combustion in CO Mole Fraction Temperature 850 - 1200 1 1
13 75 CO + H2O Mole Fraction Time 1040 1, 2.4, 3.46, 6.5, 9.6 1.05
14 45 H2 Combustion IDT Temperature 900 - 1700 1, 4, 16 N/A
15 72 HCN Combustion Mole Fraction Temperature 900 - 1500 1 195/T
16 83 CH4 Pyrolysis Mole Fraction Temperature 1250 - 1500 1 4550/T
17 60 CH4 Pyrolysis Mole Fraction Temperature 1600 - 2400, 1300 - 2000 1.5, 30 0.003, 0.015
18 56 Ethanol Pyrolysis Mole Fraction Temperature 1000 - 1300 0.74 0.006
19 399 Ethanol Pyrolysis Mole Fraction Time 950 3, 6, 9, 12 0.4, 0.8, 1.2, 1.4
20 87 HCN + NO ( + NH3 ) Combustion Mole Fraction Temperature 900 - 1500 1 197/T
21 75 H2 + N2O Mole Fraction Time 995 3 0.5
Nº Reactor Parameter study Reactants Species data Data Source
1 Shock Tube Pressure 5.7 % CH3OH, 8.55 % O2, Ar N/A Burke et al. (2016)
2 Static Reactor N/A 5.89 % CH3OH, 8.84 % O2, N2 H2, CO, CO2, CH3OH and CH2O Cathonnet et al. (1982)
3 Plug Flow N/A 0.333 % CH3OH, 0.601 % O2, N2 CH3OH, O2, H2O, CO, H2 and CO2 Held & Dryer (1994)
4 Shock Tube N/A 1 % CH3OH, Ar CH3OH, CO Ren et al. (2013)
5 PSR N/A 0.24 % CH3OH, 0.3 % O2, N2 CH3OH, O2, CO and CO2 Burke et al. (2016)
6 Plug Flow N/A 0.735 % CH3OH, 0.65 % O2, N2 CH3OH, CH2O, CO Aronowitz et al. (1979)
7 Plug Flow N/A 0.93 % CH3OH, 1.18 % O2, N2 O2, CH3OH, CO, CO2 and CH2O Norton & Dryer (1989)
8 Plug Flow N/A 0.415 % CH3OH, 0.6 % O2, N2 O2, CH3OH, CO and CH2O Held & Dryer (1994)
9 PSR N/A 0.3 % CH4, 0.00055 % C2H6, 1.2 % O2, N2 CO, CO2, CH4, C2H6, C2H4, C2H2 Dagaut et al. (1990)
10 PSR N/A 0.93 % H2, 5 % O2, N2 H2, H2O Le Cong & Dagaut (2009)
11 Plug Flow N/A 0.95 % H2, 0.495 % O2, N2 H2, O2 and H2O Mueller et al. (1999)
12 PSR N/A 0.2 % H2, 0.2 % CO, 2 % O2, N2 H2, CO2 Le Cong & Dagaut (2009)
13 Plug Flow Pressure 1 % CO, 0.65 % H20, 0.5 % 02, N2 CO Kim et al. (1994)
14 Shock Tube Pressure 0.81 % H2, 4.03 % O2, Ar N/A Kéromnès et al. (2013)
15 Plug Flow Equivalence Ratio 0.1 % HCN, O2, 0.7 % H20, 25 % Ar, CO2 HCN, CO Giménez-López et al. (2010)
16 Plug Flow Mixtures CH4, CO2, C2H6, N2 CH4, H2, C2H2, C2H4, C2H6, CO, CO2 Kéromnès et al. (2013)
17 Shock Tube Pressure 10 % CH4, 90 % Ar CH4, C2H2, C2H4 Nativel et al. (2019)
18 Plug Flow N/A 2.8 % C2H5OH, 97.2 % Ar C2H5OH, C2H4, CH3CHO, H2, CH4 Rotzoll (1985)
19 Plug Flow Pressure 0.3 % C2H5OH, 0.0035 % O2, Ar C2H5OH,H2O, C2H4, CH3CHO, CO, CH2O, CH4 Li et al. (2001)
20 Plug Flow Mixtures HCN, O2, NO, H2O, CO, NH3 NO, CO, HCN, N2O, NH3 Dagaut et al. (2008b)
21 Plug Flow N/A 0.53 % H2, 1.1 % N2O, N2 N2O, H2O, H2, NO, NH3 Allen et al. (1998)

Nº is the condition reference number and Npoints is the number of experimental measurements in the set.

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