合成气合成二甲醚平衡转化率及选择率计算模型

Calculation of equilibrium conversion and selectivity for dimethyl ether synthesis from syngas

对合成气合成二甲醚反应体系进行热力学参数计算,应用SHBWR状态方程计算了各组分的逸度系数。选取CO、CO2 加氢合成甲醇及甲醇脱水生成二甲醚为独立反应,CO、CO2、二甲醚为关键组分,提出了合成气合成二甲醚的碳转化率、二甲醚与甲醇选择率及收率的计算模型。讨论了温度、压力、原料气组成对合成气合成二甲醚化学平衡的影响。

Thermodynamic calculation was carried out for the compound reaction system of dimethyl ether from (syngas). Fugacity coefficients of reaction components were calculated by SHBWR equations. Methanol synthesis from CO and CO_2, and dehydration of methanol to dimethyl ether were selected as the independent reactions, CO, CO_2 and dimethyl ether as the key components. The equilibrium compositions, conversions, selectivities and yields of dimethyl ether and methanol were calculated and compared at different temperatures, pressures and initial (compositions) of syngas.