Hydrocarbon oxidation high-temperature chemistry

Abstract

Abstract:The exact knowledge of hydrocarbon oxidation kinetics is very important due to the fact that this process is involved in many technological processes: combustion in engines and furnaces, flame synthesis of materials, partial oxidation processes in chemical technology, catalytic combustion, and exhaust gas treatment, etc. An overview is given on the present state of the art with respect to kinetic data on gas-phase and (shortly) surface oxidation of hydrocarbons. Furthermore, some applications are described in the areas mentioned above. Examples for the importance of the gas-phase oxidation of hydrocarbons are ignition and combustion in engines and furnaces and partial oxidation processes in industrial chemical reactors. In many applications, both gas-phase and surface chemistry are taking place. Examples here are flame generation of diamonds and syngas generation.

Construction of Detailed Chemical Reaction Models

“…A summary of the High temperature oxidation of Hydrocarbons is depicted in Figure 3 below from Ref. [10].…”

Improved Recovery Boiler Performance Through Control of Combustion, Sulfur, and Alkali Chemistry

“…To simplify the combustion behaviors of volatiles, the light hydrocarbon and heavy hydrocarbon are lumped together as hydrocarbons in the current investigation, and the lumped hydrocarbon molecule is C 6 H 6.2 O 0.2 , consistent with published results (Thunman, Niklasson et al 2001). In this model, hydrocarbon combustion in the gas phase occurs through a one-step global reaction according to the approximate composition of hydrocarbon, even though the combustion chemistry of a simple gas could be a complex phenomena (Warnatz 2000). The reaction mechanism and kinetic parameters for the hydrocarbon combustion is based on Smoot et.…”

Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. Part 5: Computational Study of Ethane Dissociation and Recombination Reactions C2H6 ⇌ CH3 + CH3

“…In C 1 /C 2 hydrocarbon oxidation reaction, methyl radical recombination leads to ethane in pressure-dependent combustion reaction . The significance of a reaction at particular operating conditions can be evaluated by the sensitivity of the reaction. , Figure shows the top ten normalized CO-sensitive reactions in sCO 2 environment, , and they are estimated by simulating an adiabatic constant pressure reactor at 300 bar by sensitivity analysis in CHEMKIN-PRO and Aramco 2.0 mechanisms.…”