Reduced Combustion Mechanism for Fire with Light Alcohols
Abstract
:Highlights:
- Reduction of detailed kinetic mechanisms for methanol and ethanol fires;
- Definition of most relevant intermediates and reaction paths in alcohol combustion;
- Comparison against measured laminar burning velocity;
- Implementation of reduced mechanisms in computational fluid dynamics.
1. Introduction
1.1. Kinetic Mechanisms
1.2. Computational Fluid Dynamics
2. Methodology
3. Results and Discussion
4. Conclusions
Author Contributions
Funding
Conflicts of Interest
References
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Fuel | Substrate | Pan Diameter (m) | Initial Temperature (K) | Wind Speed (m/s) |
---|---|---|---|---|
Methanol | Steel burner | 1.0 | 293 | 0 |
Ethanol | Stainless steel | 1.0 | 328 | 3–4 |
No | Reaction | A (cm3, mol−1, s−1) * | Ea(cal mol−1) | n (-) |
---|---|---|---|---|
#1 | HCO + (M) ↔ H + CO + (M) | 4.75 × 1011 | 14,870.0 | 0.66 |
#2 | HCO + O2 ↔ CO + HO2 | 7.58 × 1012 | 410.0 | 0.00 |
#3 | CO + OH ↔ CO2 + H ** | 6.34 × 104 | −355.7 | 2.05 |
#4 | CO + OH ↔ CO2 + H ** | 5.76 × 1012 | 331.8 | −0.66 |
#5 | HOCH2O ↔ HOCHO + H | 1.00 × 1014 | 14,900.0 | 0.00 |
#6 | HOCHO + CH3 → CH4 + CO + OH | 3.90 × 10−7 | 2200.0 | 5.80 |
#7 | CH3O (+ M) ↔ CH2O+ H(+M) *** | 6.80 × 1013 | 26,170.0 | 0.00 |
1.87 × 1025 | 24,307.0 | −3.00 | ||
#8 | CH2OH + O2 ↔ CH2O +HO2 ** | 1.51 × 1015 | 0.0 | −1.00 |
#9 | CH2OH + O2 ↔ CH2O +HO2 ** | 2.41 × 1014 | 5017.0 | 0.0 |
#10 | CH2O + OH ↔ HOCH2O | 4.50 × 1015 | 0.0 | −1.10 |
#11 | CH3OH + OH ↔ CH2OH + H2O | 3.08 × 104 | −806.7 | 2.60 |
#12 | CH2OH + HO2 ↔ HOCH2O + OH | 1.00 × 1013 | 0.0 | 0.00 |
#13 | CH3OH + HCO ↔ CH2OH + CH2O | 9.63 × 103 | 13,110.0 | 2.90 |
#14 | CH3OH + O2 ↔ CH2OH + HO2 | 2.05 × 1013 | 44,900.0 | 0.00 |
#15 | CH2O + OH ↔ HCO + H2O | 7.82 × 107 | −1055.0 | 1.63 |
#16 | CH2O + H ↔ HCO + H2 | 5.74 × 107 | 2740.0 | 1.90 |
#17 | CH3OH + O ↔ CH2OH + OH | 3.88 × 105 | 3080.0 | 2.50 |
#18 | CH3OH + H ↔ CH3O + H2 | 1.99 × 105 | 10,300.0 | 2.56 |
#19 | CH3OH + OH ↔ CH3O + H2O | 1.50 × 102 | −763.0 | 3.03 |
No | Reaction | A (cm3, mol−1, s−1) * | Ea(cal mol−1) | n (-) |
---|---|---|---|---|
#1 | HCO + (M) ↔ H + CO (+M) | 4.75 × 1011 | 14,870.0 | 0.66 |
#2 | CO + OH ↔ CO2 + H ** | 6.34 × 104 | −355.7 | 2.05 |
#3 | CO + OH ↔ CO2 + H ** | 5.76 × 1012 | 331.8 | −0.66 |
#4 | CH3 + O ↔ CH2O + H | 5.54 × 1013 | −136.0 | 0.05 |
#5 | CH2 + O2 ↔ CH2O + O | 1.26 × 106 | 1604.0 | 2.42 |
#6 | CH2O + OH ↔ HCO + H2O | 7.82 × 107 | −1055.0 | 1.63 |
#7 | CH2O + H ↔ HCO + H2 | 5.74 × 107 | 2740.0 | 1.90 |
#8 | C2H4 + OH ↔ C2H3OH + H **** | 3.19 × 105 | 5255.6 | 2.19 |
#9 | C2H4 + OH ↔ pC2H4OH **** | 2.56 × 1036 | 6946.1 | −7.75 |
#10 | CH3CHO + H ↔ CH3CO + H2 | 1.31 × 105 | 1220.0 | 2.58 |
#11 | CH3CHO + OH ↔ CH3CO + H2O | 3.37 × 1012 | −619.0 | 0.00 |
#12 | C2H5OH + O ↔ sC2H4OH + OH | 1.45 × 105 | 876.0 | 2.47 |
#13 | C2H3OH + H ↔ pC2H4OH | 3.01 × 108 | 3670.0 | 1.58 |
#14 | C2H5OH + C2H5 ↔ sC2H4OH + C2H6 | 5.00 × 1010 | 10,400.0 | 0.00 |
#15 | CH3CO (+ M) ↔ CH3 + CO (+ M) *** | 1.07 × 1012 | 16,900.0 | 0.60 |
5.65 × 1018 | 14,600.0 | −0.97 | ||
#16 | CH3CHO + HO2 ↔ CH3CO + H2O2 | 3.01 × 1012 | 11,920.0 | 0.00 |
#17 | sC2H4OH + O2 ↔ CH3CHO + HO2 **** | 5.28 × 1017 | 839.0 | −1.60 |
#18 | CH3CHO + O2 ↔ CH3CO + HO2 | 3.01 × 1013 | 39,150.0 | 0.00 |
#19 | sC2H4OH ↔ CH3CHO + H **** | 5.36 × 1055 | 51,886.0 | −13.20 |
#20 | C2H5OH + HO2 ↔ sC2H4OH + H2O2 | 2.80 × 10−2 | 8530.0 | 4.30 |
Fuel | Experiment (cm/s) | Estimation (cm/s) | |
---|---|---|---|
Detailed Mechanism | Reduced Mechanism | ||
Methanol | 40 ± 5 | 40.0 (0.0) | 37.0 (−7.5) |
Ethanol | 44 ± 4 | 46.1 (4.8) | 41.5 (−5.7) |
Parameters | Experimental | Single-Step Chemistry | Reduced Mechanism |
---|---|---|---|
Methanol | |||
Heat flux (kW/m2) | 5.1 ± 1.0 | 8.2 (60.8) | 6.7 (31.4) |
Burning rate (kg/s) | 0.013 ± 0.009 | 0.013 (0.0) | 0.011 (−15.4) |
Heat release rate (kW) | 256 ± 19 | 272 (6.3) | 261 (1.9) |
Tmax (K) | 1370 | 1662 (21.3) | 977 (−28.7) |
Ethanol | |||
Heat flux (kW/m2) | 20.0 | 17.2 (−14.0) | 14.8 (−26.0) |
Burning rate (kg/m2/s) | 0.023 | 0.026 (13.0) | 0.019 (−17.4) |
Tmax (K) | 944 | 1709 (81.0) | 1288 (36.4) |
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Mosisa Wako, F.; Pio, G.; Salzano, E. Reduced Combustion Mechanism for Fire with Light Alcohols. Fire 2021, 4, 86. https://doi.org/10.3390/fire4040086
Mosisa Wako F, Pio G, Salzano E. Reduced Combustion Mechanism for Fire with Light Alcohols. Fire. 2021; 4(4):86. https://doi.org/10.3390/fire4040086
Chicago/Turabian StyleMosisa Wako, Fekadu, Gianmaria Pio, and Ernesto Salzano. 2021. "Reduced Combustion Mechanism for Fire with Light Alcohols" Fire 4, no. 4: 86. https://doi.org/10.3390/fire4040086