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使用美国商用过程模拟软件PRO/Ⅱ,根据最小化吉布斯自由能方法,研究合成气一步法制二甲醚过程的热力学模拟。考察温度、压力、合成气组成等因素对热力学平衡条件下一氧化碳转化率、二甲醚选择性和产率的影响,为二甲醚合成过程反应器的模拟计算和开发,提供理论依据。结果表明:低温高压有利于二甲醚的合成;为提高一氧化碳的转化率,最佳的氢炭比为1.4～2.0;在一定范围内二氧化碳含量对热力学平衡组成的影响不大,而水蒸气不利于合成反应。模拟与固定床微反装置的实验结果比较,不分伯仲。
The thermodynamic simulation of one-step synthesis of dimethyl ether in syngas was carried out by using PRO / Ⅱ, a commercial process simulation software in the United States, according to the minimized Gibbs free energy method. The effect of temperature, pressure and composition of syngas on the conversion of carbon monoxide, the selectivity of dimethyl ether and the yield of dimethyl ether under thermodynamic equilibrium conditions were investigated. The theoretical basis for the calculation and development of the reactor for dimethyl ether synthesis was provided. The results showed that the low temperature and high pressure was beneficial to the synthesis of DME. The optimal ratio of hydrogen to carbon was 1.4-2.0 to improve the conversion of carbon monoxide. The carbon dioxide content had little effect on the thermodynamic equilibrium composition in a certain range. However, Conducive to the synthesis reaction. Simulation and fixed bed micro-reactor comparison of experimental results, regardless of.