甲烷部分氧化的热力学模拟分析-有色金属科学与工程.DOC

甲烷部分氧化的热力学模拟研究1 余长林*，周晓春，(江西理工大学 冶金与化学工程学院，赣州341000)摘 要：°C时就有相当多的积炭生成，在550 °C积炭量达到最大，随后又随温度上升，积炭量逐渐减少，在900 °C以上无积炭产生。 关键词：甲烷； 部分氧化；；中图分类号：O643 文献标识码：A Thermodynamic imulation Analysis of the Catalytic Partial Oxidation of Methane YU Chang-lin, ZHOU Xiao-chun, HU Jiu-biao, FAN Qi-zhe (School of Metallurgy and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, China) Abstract: Catalytic partial oxidation of methane (CPOM) to syngas is one of the important routes to increase the application value of the nature gas. The reaction in CPOM is complex. It involves in the 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 rate in feed gas on the conversion of CH4, selectivity to hydrogen and carbon monoxide were discussed. Moreover, the composition of products in thermodynamic equilibrium and carbon deposition reaction were analyzed and discussed. The result of thermodynamic simulation showed that with the increase of reaction temperature and decrease of reaction pressure, the conversion of methane and selectivity to hydrogen and carbon monoxide increase. At the reaction temperature of 300°C, quite amount of carbon deposition will be produced in CPOM reaction. At 550 °C, carbon deposition reaches the maximum value. But with further increase of reaction temperature, the carbon deposition will decrease gradually. At above 900 °C, no deposition will be produced. Key words: Methane; Partial oxidation; Hydrogen; Carbon monoxide; Thermodynamic simulation 0 前 言 合成气(CO+H2)被认为是制备合成油和烯烃等众多化工的枢纽原料。催化甲烷部分氧化 (POM)是生产合成气的主要工艺之一[1-5]。该工艺对于提高天然气的利用价值“实现天然气化工的长远发展”，具有重要的意义。甲烷具有较稳定的分子结构，室温下一般不与其他物质发生反应。但在高温下，它可以自身裂解为炭和H2[6]，或与其他氧化性物质发生氧化还原反应等。甲烷部分氧化反应属于选择性氧化的范畴，因此其产物并非热力学稳定的物质，在反应过程中往往会发生深度氧化形成