A new formulation of the predictive NRTL-PR model in terms of kij mixing rules. Extension of the group contributions for the modeling of hydrocarbons in the presence of associating compounds

被引：15

作者：

Escandell, Joan ^{[1
]}

Neau, Evelyne ^{[1
]}

Nicolas, Christophe ^{[2
]}

机构：

[1] Univ Mediterranee, Fac Sci Luminy, UMR 6181, Lab M2P2, F-13288 Marseille, France

[2] Univ Mediterranee, Fac Sci Luminy, UMR 6117, Lab LMGEM, F-13288 Marseille, France

来源：

FLUID PHASE EQUILIBRIA | 2011年 / 301卷 / 01期

关键词：

Equation of state; Group contribution method; Vapor-liquid and liquid-liquid equilibria; Enthalpy of mixing; VAPOR-LIQUID-EQUILIBRIA; EQUATION-OF-STATE; SOLUBILITY DATA SERIES; HEAVY NORMAL-PARAFFINS; EXCESS GIBBS ENERGIES; WATER PLUS METHANE; DEW-POINT GAS; CARBON-DIOXIDE; BINARY-MIXTURES; HYDROGEN-SULFIDE;

D O I：

10.1016/j.fluid.2010.11.009

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

A generalized NRTL model was previously proposed for the modeling of non ideal systems and was extended to the prediction of phase equilibria under pressure according to the cubic NRTL-PR EoS. In this work, the model is reformulated with a predictive k(ij) temperature and composition dependent mixing rule and new interaction parameters are proposed between permanent gases, ethane and nitrogen with hydrocarbons, ethane with water and ethylene glycol. Results obtained for excess enthalpies, liquid-vapor and liquid-liquid equilibria are compared with those provided by the literature models, such as VTPR, PPR78, CPA and SRKm. A wide variety of mixtures formed by very asymmetric compounds, such as hydrocarbons, water and ethylene glycols are considered and special attention is paid to the evolution of k(ij) with respect to mole fractions and temperature. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：80 / 97

页数：18