基于详细反应机理的甲烷部分氧化制乙炔过程模拟

Simulation of Partial Oxidation of Methane to Acetylene with Detailed Reaction Mechanism

基于Curran详细反应机理,采用CHEMKIN软件对贫氧条件下的甲烷非催化部分氧化过程进行了模拟.在预热温度为873K、氧气/甲烷摩尔比为0.55的工业反应器操作条件下,模拟得到的最大乙炔浓度为7.6%(mol),与工业数据相符.分析了操作参数对自燃诱导时间和产物浓度的影响.结果表明,当预热温度为823K时,最大乙炔浓度为7.8%(mol);1023K时为8.4%(mol).乙炔浓度在达到最大值后快速下降,因此必须在最大值时通过淬冷等措施及时终止反应以获得最大乙炔收率.

The non-catalytic partial oxidation of methane to acetylene was simulated with Curran detailed reaction mechanism using CHEMK1N 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 1 023 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.