甲烷部分氧化的热力学模拟研究

甲烷部分氧化制备合成气对于提高天然气的利用价值具有重要的意义。甲烷部分氧化反应是一个非常复杂的反应体系。反应涉及部分氧化（主反应）、燃烧、重整、水煤气变换、积炭等。使用Aspen Plus和HSC Chemistry软件对甲烷部分氧化制备合成气过程进行热力学模拟计算。考察了温度、压力和CH4/O2比对CH4转化率、氢和CO选择性的影响。同时对甲烷部分氧化反应热力学平衡产物组成和积炭副反应进行了热力学计算分析。研究结果表明，随反应温度的升高，压力的减小，CH4的转化率和CO与H2的选择性均呈上升趋势。反应温度在300℃时就有相当多的积炭生成，在550℃积炭量达到最大，随后又随温度上升，积炭量逐渐减少，在900℃以上无积炭产生。

Thermodynamic simulation analysis of partial-oxidation methane

Syngas prepared by catalytic partial oxidation of methane （CPOM） is of importance to increase the application value of the nature gas. The reaction in CPOM is a complex system which involves partial oxidation （main reaction）, combustion, reforming reaction, water-gas shift reaction, carbon deposition and so on. The production of syngas from CPOM has been simulated thermodynamically with the advanced process simulator Aspen Plus and HSC Chemistry program. The influences of temperature, pressure, CH4/O2 ratio to the conversion rate of CH4, selectivity to hydrogen and carbon monoxide are discussed. Moreover, the composition of products in thermodynamic equilibrium and carbon deposition reaction are analyzed and discussed. The result of thermodynamic simulation shows that with the increase of reaction temperature and decrease of reaction pressure, the conversion of methane and selectivity to hydrogen and carbon monoxide is on the rise. Quite amount of carbon deposition will be produced in CPOM reaction when the reaction temperature is 300 ℃ and carbon deposition reaches the maximum value at 550 ℃ which will decrease gradually with further increase of reaction temperature. When the reaction temperature is above 900 ℃, no carbon deposition will be produced.