Equations of state for hydrogen bonding systems

被引:39
作者
Economou, IG
Donohue, MD
机构
[1] EXXON RES & ENGN CO,FLORHAM PK,NJ 07932
[2] JOHNS HOPKINS UNIV,DEPT CHEM ENGN,BALTIMORE,MD 21218
关键词
D O I
10.1016/0378-3812(95)02926-5
中图分类号
O414.1 [热力学];
学科分类号
摘要
Considerable progress has been made over the last two decades in the modeling of hydrogen bonding fluids. Traditionally, the properties of hydrogen bonding solutions have been predicted and correlated using lattice models to give activity coefficients. Recently, several equations of state have been developed which can be used to predict activities and other configurational properties. This paper presents an overview of the specific types of chemical interactions that can be treated, the mathematical methods used to treat hydrogen bonding, and the similarities and differences in the underlying equations of state that are used to treat the ''van der Waals'' repulsive and attractive forces. Comparisons are made between chemical theories, quasichemical theories, and perturbation theories, including discussions on APACT, Panayiotou-Sanchez-Lacombe, and the SAFT equation.
引用
收藏
页码:518 / 529
页数:12
相关论文
共 59 条
[31]   VAPOR-LIQUID-EQUILIBRIA IN BINARY-MIXTURES FORMED FROM HEXAMETHYLDISILOXANE, TOLUENE AND ETHANOL [J].
GUZMAN, J ;
TEJA, AS ;
KAY, WB .
FLUID PHASE EQUILIBRIA, 1981, 7 (02) :187-195
[32]   VANDERWAALS-TYPE EQUATION OF STATE FOR FLUIDS WITH ASSOCIATING MOLECULES [J].
HEIDEMANN, RA ;
PRAUSNITZ, JM .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1976, 73 (06) :1773-1776
[33]   EQUATION OF STATE FOR SMALL, LARGE, POLYDISPERSE, AND ASSOCIATING MOLECULES [J].
HUANG, SH ;
RADOSZ, M .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1990, 29 (11) :2284-2294
[34]   THERMODYNAMICS OF HYDROGEN-BONDED MOLECULES - THE ASSOCIATED PERTURBED ANISOTROPIC CHAIN THEORY [J].
IKONOMOU, GD ;
DONOHUE, MD .
AICHE JOURNAL, 1986, 32 (10) :1716-1725
[35]   COMPACT - A SIMPLE EQUATION OF STATE FOR ASSOCIATED MOLECULES [J].
IKONOMOU, GD ;
DONOHUE, MD .
FLUID PHASE EQUILIBRIA, 1987, 33 (1-2) :61-90
[36]   PHASE-EQUILIBRIA OF ASSOCIATING FLUIDS - SPHERICAL MOLECULES WITH MULTIPLE BONDING SITES [J].
JACKSON, G ;
CHAPMAN, WG ;
GUBBINS, KE .
MOLECULAR PHYSICS, 1988, 65 (01) :1-31
[37]   THERMODYNAMICS OF ALCOHOL-HYDROCARBON MIXTURES [J].
KRETSCHMER, CB ;
WIEBE, R .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (10) :1697-1701
[38]   LOCAL ORDER AND MICROPHASE FORMATION IN FLUIDS CONTAINING ASYMMETRIC MOLECULES [J].
KUESPERT, DR ;
DONOHUE, MD .
LANGMUIR, 1993, 9 (02) :431-437
[39]   MODELING PHASE-EQUILIBRIA IN MIXTURES CONTAINING HYDROGEN-FLUORIDE AND HALOCARBONS [J].
LENCKA, M ;
ANDERKO, A .
AICHE JOURNAL, 1993, 39 (03) :533-537
[40]   THE SYSTEM POLY(4-HYDROXYSTYRENE) (POLY(VINYL ACETATE))ACETONE - AN EXPERIMENTAL AND THEORETICAL-STUDY [J].
LUENGO, G ;
RUBIO, RG ;
SANCHEZ, IC ;
PANAYIOTOU, CG .
MACROMOLECULAR CHEMISTRY AND PHYSICS, 1994, 195 (03) :1043-1062