-模型在预测煤直接液化高温高压气液相平衡中的应用 - -

为预测煤炭直接液化高温高压气液平衡,将过量吉布斯自由能混合规则和UNIFAC活度系数模型与SRK状态相结合,建立基团状态PSRK-UNIFAC模型。利用该模型对煤液化高温分离器的24种组分气液相平衡进行了预测和关联,计算值和文献值能取得较好一致,并推算了煤液化反应器内气液相组成。结果表明:PSRK-UNIFAC模型可以成功预测高温、高压、强不对称、强极性下的气液相平衡。 State a group of contribution equation of state,PSRK-UNIFAC,which is obtained by combining the excess Gibbs free energy mixing rule,the UNIFAC model and SRK equation of state.The PSRK-UNIFAC equation of state serves to predict and associate the vapor-liquid equilibria of twenty-four components of high temperature separator during coal direct liquefaction,also calculate the components of vapor-liquid.The results show that,the calculated value is constant with the literature value and the PSRK-UNIFAC equation of state could predict the vapor-liquid equilibria under high temperature,high pressure,strong asymmetric and polar situation