Thirty Years with EoS/GE Models-What Have We Learned?

被引:67
作者
Kontogeorgis, Georgios M. [1 ]
Coutsikos, Philippos [1 ]
机构
[1] Tech Univ Denmark, Dept Chem & Biochem Engn, Ctr Energy Resources Engn CERE, DK-2800 Lyngby, Denmark
关键词
EQUATION-OF-STATE; VAPOR-LIQUID-EQUILIBRIA; PENG-ROBINSON EQUATION; EXCESS FREE-ENERGY; SOAVE-REDLICH-KWONG; ACTIVITY-COEFFICIENT MODEL; UNIVERSAL MIXING RULE; SOLID-GAS EQUILIBRIA; CUBIC EQUATIONS; PHASE-EQUILIBRIA;
D O I
10.1021/ie2015119
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
Thirty years of research and the use of EoS/G(E) mixing rules in cubic equations of state are reviewed. The most popular approaches are presented both from the derivation and application points of view and they are compared to each other. It is shown that all methods have significant capabilities but also limitations which are discussed. A useful approach is presented for analyzing the models by looking at the activity coefficient expression derived from the equations of state using various mixing rules. The size-asymmetric systems are investigated in detail, and an explanation is provided on how EoS/G(E) mixing rules should be developed so that such asymmetric mixtures are adequately represented.
引用
收藏
页码:4119 / 4142
页数:24
相关论文
共 166 条
[11]   Comparison of the performance of the LCVM model (an EoS/GE model) and the PHCT EoS (the Perturbed Hard Chain Theory Equation of State) in the prediction of the Vapor-Liquid Equilibria of binary systems containing light gases [J].
Boukouvalas, CJ ;
Magoulas, KG ;
Tassios, DP ;
Kikic, I .
JOURNAL OF SUPERCRITICAL FLUIDS, 2001, 19 (02) :123-132
[12]   The Wong-Sandler mixing rules and EOS which are thermodynamically consistent at infinite pressure [J].
Brandani, F ;
Brandani, S ;
Brandani, V .
CHEMICAL ENGINEERING SCIENCE, 1998, 53 (04) :853-856
[13]  
Carlson EC, 1996, CHEM ENG PROG, V92, P35
[14]  
Castier M., 1997, CHEM ENG SCI, V52, P3759
[15]   Applied thermodynamics for process modeling [J].
Chen, CC ;
Mathias, PM .
AICHE JOURNAL, 2002, 48 (02) :194-200
[16]   Modification of PSRK mixing rules and results for vapor-liquid equilibria, enthalpy of mixing and activity coefficients at infinite dilution [J].
Chen, J ;
Fischer, K ;
Gmehling, J .
FLUID PHASE EQUILIBRIA, 2002, 200 (02) :411-429
[17]   CALCULATIONS OF THE SOLUBILITIES OF SOLIDS IN SUPERCRITICAL FLUIDS USING THE PENG-ROBINSON EQUATION OF STATE AND A MODIFIED MIXING MODEL [J].
CHEN, PC ;
TANG, M ;
CHEN, YP .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1995, 34 (01) :332-339
[18]   Prediction of Vapor-Liquid Equilibrium at High Pressure Using a New Excess Free Energy Mixing Rule Coupled with the Original UNIFAC Method and the SRK Equation of State [J].
Chen, Zhen-hua ;
Yao, Zhen ;
Li, Yan ;
Cao, Kun ;
Huang, Zhi-ming .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2009, 48 (14) :6836-6845
[19]   Activity coefficient at infinite dilution, azeotropic data, excess enthalpies and solid-liquid-equilibria for binary systems of alkanes and aromatics with esters [J].
Collinet, E ;
Gmehling, J .
FLUID PHASE EQUILIBRIA, 2005, 230 (1-2) :131-142
[20]   Prediction of phase equilibria with strong electrolytes with the help of the volume translated Peng-Robinson group contribution equation of state (VTPR) [J].
Collinet, Eileen ;
Gmehling, Jurgen .
FLUID PHASE EQUILIBRIA, 2006, 246 (1-2) :111-118