关键词: 详细反应机理, 甲烷, 非催化部分氧化, 乙炔, 贫氧条件

Abstract: The non-catalytic partial oxidation of methane to acetylene was simulated with Curran detailed reaction mechanism using CHEMKIN software. Under the industrial relevant operating conditions of preheating temperature 873 K and oxygen/methane molar ratio 0.55, the simulated maximum acetylene concentration was 7.6%(mol), in agreement with the industrial data. The effects of operation parameters, such as oxygen/methane molar ratio, preheating temperature and reaction time, on the ignition delay time and species concentrations, were investigated. The simulation results show that there is an optimal oxygen/methane molar ratio to get the maximum acetylene concentration at a given preheating temperature. The maximum acetylene concentration can be notably enhanced by increasing the preheating temperature: the maximum acetylene concentration was 7.8%(mol) at preheating temperature 823 K, and was 8.4%(mol) at preheating temperature 1023 K. The acetylene concentration deceased rapidly after reaching its maximum, therefore the product mixture must be quickly quenched at the position of maximum acetylene concentration to get a maximum acetylene yield.

Key words: detailed reaction mechanism, methane, non-catalytic partial oxidation, acetylen, oxygen-lean condition