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运用吉布斯自由能最小法对3种不同路线(合成气直接合成、甲醇同系化、醋酸加氢)合成乙醇热力学进行了分析,在温度373 K～873 K,压力0.1 MPa～10 MPa的范围内获得了各路线原料转化率与产物平衡组成随温度与压力变化的关系。对于合成气直接合成乙醇,低温对CO平衡转化率有利,在压力为2 MPa时,温度从373 K升高到873 K,CO平衡转化率从100%降到1.56%:在甲醇同系化合成乙醇工艺中,甲醇的转化率在所研究的温度压力范围内都几乎为100%,低温时(T<473 K)甲醇经同系化反应接近完全转化为乙醇,高温时(7>673 K)甲醇几乎全部分解为CO与H_2;醋酸加氢制乙醇工艺中醋酸的转化率均大于70.79%。对于这3种路线,乙醇的平衡组成在10MPa、373K时达到最大,分别为50%,50%与25%。
The Gibbs free energy minimum method was used to analyze the thermodynamics of ethanol synthesis from three different routes (direct synthesis of syngas, methanol homologation and acetic acid hydrogenation). Under the conditions of temperature 373 K ~ 873 K, pressure 0.1 MPa ~ 10 MPa The relationship between the conversion rate of raw materials and the equilibrium composition of products in various routes with temperature and pressure was obtained. For the synthesis of ethanol directly from syngas, the CO conversion was favorable at low temperature. The temperature was increased from 373 K to 873 K at 2 MPa, and the CO conversion decreased from 100% to 1.56% In the process, the conversion of methanol was almost 100% at the temperature and pressure range studied. Methanol was nearly completely converted into ethanol by the homologation reaction at low temperature (T <473 K), almost at the high temperature (7> 673 K) All decomposed into CO and H_2; acetic acid hydrogenation to ethanol conversion of acetic acid were greater than 70.79%. For these three routes, the equilibrium composition of ethanol reached its maximum at 10 MPa and 373 K, respectively at 50%, 50% and 25%.