Rights statement: This is the author’s version of a work that was accepted for publication in Fuel. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Fuel, 183, 2016 DOI: 10.1016/j.fuel.2016.06.106
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Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
}
TY - JOUR
T1 - The chemical effects of CO2 addition to methane on aromatic chemistry
AU - Fischer, Marc Claude Pierre
AU - Jiang, Xi
N1 - This is the author’s version of a work that was accepted for publication in Fuel. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Fuel, 183, 2016 DOI: 10.1016/j.fuel.2016.06.106
PY - 2016/11/1
Y1 - 2016/11/1
N2 - This numerical study concerns the effect of CO2 addition to CH4 on aromatic chemistry. In the absence of any thermodynamical effects, purely kinetic factors cause increases in the amount of carbon dioxide to decrease benzene mole fraction. The reaction H+CO2⇌OH+COH+CO2⇌OH+CO proved very important. Simulations under adiabatic conditions shows that raising the concentration of CO2 leads to an increase in A1 mole fractions. This is caused by CO2 addition making the combustion less efficient, so that both the temperatures and the concentrations of the OH radical are lower than for pure methane. We also discovered that the CO2 kinetics reduces the amount of benzene under isothermal conditions whereas it increases it under adiabatic conditions. Finally, we found that CO2 addition to benzene has negligible kinetic effects on aromatic hydrocarbons, radicals and even CO. Overall, our study shows that the kinetic effects of carbon dioxide in biogas can be highly complex, non-linear and counter-intuitive.
AB - This numerical study concerns the effect of CO2 addition to CH4 on aromatic chemistry. In the absence of any thermodynamical effects, purely kinetic factors cause increases in the amount of carbon dioxide to decrease benzene mole fraction. The reaction H+CO2⇌OH+COH+CO2⇌OH+CO proved very important. Simulations under adiabatic conditions shows that raising the concentration of CO2 leads to an increase in A1 mole fractions. This is caused by CO2 addition making the combustion less efficient, so that both the temperatures and the concentrations of the OH radical are lower than for pure methane. We also discovered that the CO2 kinetics reduces the amount of benzene under isothermal conditions whereas it increases it under adiabatic conditions. Finally, we found that CO2 addition to benzene has negligible kinetic effects on aromatic hydrocarbons, radicals and even CO. Overall, our study shows that the kinetic effects of carbon dioxide in biogas can be highly complex, non-linear and counter-intuitive.
KW - Soot
KW - PAH
KW - Modeling
KW - Chemical kinetics
KW - Biogas
KW - Bio-syngas
U2 - 10.1016/j.fuel.2016.06.106
DO - 10.1016/j.fuel.2016.06.106
M3 - Journal article
VL - 183
SP - 386
EP - 395
JO - Fuel
JF - Fuel
SN - 0016-2361
ER -