摘要
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。
On the bases of Gibbs free energy minimization, the single-step synthesis of dimethyl ether （DME） from syngas （ CO ＋ H2 ） has been simulated thermodynamically with the advanced process simulator PRO/Ⅱ. The influences of temperature, pressure, n （H2 ）/ n （CO） ratio, carbon dioxide content and water content in feed gas on the conversion of CO, selectivity and yield to dimethyl ether was discussed. The results showed that lower temperatures and higher pressures favor higher CO conversion and DME yield, the optimal n （H2 ）/n（CO） ratio is 1.4 -2. 0 for higher CO conversion, a small amount of CO2 in the reactant mixture has little effect on the reaction and the existence of water in the feed tends to decrease the DME yield The simulations were in good agreement with the experimental dates taken from a fixed bed micro-reactor.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2008年第9期1131-1135,共5页
Computers and Applied Chemistry
基金
山东省自然科学基金资助项目(Y2007B48)
山东省科技攻关资助项目(2008GG10007006)．
关键词
合成气
二甲醚
一步法
热力学模拟
PRO/Ⅱ
syngas, dimethyl ether, single-step synthesis, thermodynamic simulation, PRO/Ⅱ
