化工学报 ›› 2009, Vol. 60 ›› Issue (6): 1367-1372.

• 热力学 • 上一篇    下一篇

费托合成油品体系相关二元物系汽液平衡预测方法的评价

董立华;郝栩;曹立仁;李永旺   

  1. 中国科学院山西煤炭化学研究所煤转化国家重点实验室;中国科学院研究生院
  • 出版日期:2009-06-05 发布日期:2009-06-05

Evaluation of vapor-liquid equilibrium prediction methods 
for related binary systems of Fischer-Tropsch synthesis oil syst

DONG Lihua;HAO Xu;CAO Liren;LI Yongwang   

  • Online:2009-06-05 Published:2009-06-05

摘要: 比较了基于不同α函数(BM、SRW)和不同混合规则(MHV2、WS、HG)的PR、RKS状态方程,SR-POLAR和PC-SAFT状态方程,以及UNIF-DMD和UNIF-HOC活度系数方程在费托合成油品体系预测汽液平衡的能力。结果表明:对于弱极性体系,各种计算方法结果接近,偏差均较小;对于非缔合极性体系,UNIF-DMD、RKS-MHV2和RKS-HG方程计算结果比较准确;对于含水缔合极性体系,RKS-MHV2方程和UNIF-HOC方程计算结果比较准确;含酸缔合体系,UNIF-HOC方程和SR-POLAR方程显示了最准确的预测能力;其他缔合极性体系,UNIF-HOC方程和SR-POLAR仍然显示了最高的计算精度,RKS-MHV2和RKS-HG次之;PC-SAFT缺少交互参数时,非均匀体系计算偏差较大。

关键词:

费托合成, 汽液平衡, 状态方程, α函数, 混合规则, 活度系数方程

Abstract:

Two alpha functions (BM, SRW) and three different mixing rules (MHV2, WS, HG) for the PR and RKSEOS were investigated in the vaporliquid equilibrium calculation of related binary systems for FischerTropsch synthesis oil systemFurthermore, two different equations of states (EOS) of SR-POLAR and PC-SAFT, together with two activity coefficient equations of UNIF-DMD and UNIF-HOC were investigatedThe results showed that various prediction methods had similar deviations for weakly polar systemsHowever, these method had different prediction abilities for other systemsUNIF-DMD, RKS-HG and RKS-MHV2 models gave more accurate prediction for nonassociating strongly polar system, RKS-MHV2 and UNIF-HOC models showed the smallest deviation for associating strongly polar system containing water, UNIF-HOC and SR-POLAR models showed the smallest deviation for associating strongly polar system containing acids, and UNIF-HOC, SR-POLAR models showed the smallest deviation for other associating strongly polar systems, while RKS-MHV2 and RKSHG took the second placePC-SAFT model would bring big deviation for unsymmetrical system when binary parameters were lacking, but would give small deviation for all systems when binary parameters were available.

Key words:

费托合成, 汽液平衡, 状态方程, α函数, 混合规则, 活度系数方程