PSRK-UNIFAC模型在预测煤直接液化高温高压气液相平衡中的应用  

Application of PSRK-UNIFAC model in vapor-liquid equilibria prediction under high temperatures and pressures during coal direct liquefaction

作　　者：毛学锋[1,2] 

机构地区：[1]煤炭科学研究总院北京煤化工研究分院,北京100013 [2]煤炭资源高效开采与洁净利用国家重点实验室(煤炭科学研究总院),北京100013

出　　处：《洁净煤技术》2012年第3期53-58,共6页Clean Coal Technology

基　　金：国家重点基础研究发展计划(973计划)(2004CB217604)

摘　　要：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.

关 键 词：煤炭直接液化 高温高压气液相平衡 PSRK-UNIFAC模型 强极性 

分 类 号：TQ529[化学工程—煤化学工程]