The chemical effects of CO2 addition to methane on aromatic chemistry

Abstract

This numerical study concerns the effect of CO 2 addition to CH 4 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 + CO 2 ⇋ OH + CO proved very important. Simulations under adiabatic conditions shows that raising the concentration of CO 2 leads to an increase in A 1 mole fractions. This is caused by CO 2 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 CO 2 kinetics reduces the amount of benzene under isothermal conditions whereas it increases it under adiabatic conditions. Finally, we found that CO 2 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.

Multiparameter Measurement in Ethylene Diffusion Flame Based on Time-Division Multiplexed Tunable Diode Laser Absorption Spectroscopy

“…Researchers have proposed several CO 2 chemical reaction mechanisms involved in the flame for the chemical effects of CO 2 addition based on the C 3 reaction mechanism with seven potential reactions considered in the present C 3 chemistry mechanism. A large number of previous numerical simulations show that the chemical reaction: CO 2 + H < = > CO + OH plays a dominant role in the chemical reactions [30], [31]. The added CO 2 consumes H radicals in the flame, which plays an important role in the generation of CO and OH.…”

Exploring the Reaction Paths in the Consecutive Fe-Based FT Catalyst–Zeolite Process for Syngas Conversion

“…Aromatics, one of the most important platform molecules in the current chemical industry, are widely used to produce a range of important petrochemicals including plastics, films, fibers, pesticides, nylon, and pigment dyes. , Driven by the rapidly increasing consumption of benzene derivatives, the demand for aromatics is growing faster and faster . The aromatics come traditionally from petroleum refinery processes such as thermal cracking of crude oil and catalytic reforming of naphtha, which heavily rely on petroleum. , In order to alleviate the dependence on fossil resources, some nonpetroleum routes are developed to synthesize aromatics from alternative carbon sources.…”

Direct conversion of syngas to aromatics: A review of recent studies

“…Aromatics are one of the most fundamental bulk commodities and feedstocks in industry, which are not only used in blending mixtures of gasoline with a high-octane number, but also widely applied in producing various chemicals, like plastics, pesticides, solvents and pigment dyes [12][13][14]. They occupy almost one-third of the commodity petrochemical market and the demand is growing steadily because of the rapid de-velopment of the polymer industry.…”