THERMODYNAMIC INCONSISTENCIES IN AND ACCURACY OF CHEMICAL-EQUATIONS OF STATE FOR ASSOCIATING FLUIDS

被引：15

作者：

ECONOMOU, IG ^{[1
]}

DONOHUE, MD ^{[1
]}

机构：

[1] JOHNS HOPKINS UNIV, DEPT CHEM ENGN, BALTIMORE, MD 21218 USA

来源：

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 1992年 / 31卷 / 04期

关键词：

D O I：

10.1021/ie00004a035

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

Hydrogen bonding is usually taken into account through the use of chemical theory. Thermodynamic properties of associating systems are calculated by solving the equations for chemical and physical equilibria simultaneously. Recently, many equations of state have been proposed for associating components with a built-in chemical theory based on the approach of Heidemann and Prausnitz. Many of these theories assume that the chemical and physical interactions can be separated in the equation of state. In this work, we review equations of state for associating fluids using chemical theory and show that an arbitrary separation of chemical and physical interactions can be thermodynamically inconsistent. Comparisons are made for the various equations of state with Monte Carlo simulation data.

引用

页码：1203 / 1211

页数：9

共 44 条

[1] CALCULATION OF VAPOR LIQUID EQUILIBRIA AT ELEVATED PRESSURES BY MEANS OF AN EQUATION OF STATE INCORPORATING ASSOCIATION [J].

ANDERKO, A .

CHEMICAL ENGINEERING SCIENCE, 1989, 44 (03) :713-725

[2] PHASE-EQUILIBRIA IN AQUEOUS SYSTEMS FROM AN EQUATION OF STATE BASED ON THE CHEMICAL APPROACH [J].

ANDERKO, A .

FLUID PHASE EQUILIBRIA, 1991, 65 :89-110

[3] EXTENSION OF THE AEOS MODEL TO SYSTEMS CONTAINING ANY NUMBER OF ASSOCIATING AND INERT COMPONENTS [J].

ANDERKO, A .

FLUID PHASE EQUILIBRIA, 1989, 50 (1-2) :21-52

[4] A SIMPLE EQUATION OF STATE INCORPORATING ASSOCIATION [J].

ANDERKO, A .

FLUID PHASE EQUILIBRIA, 1989, 45 (01) :39-67

[5]

[Anonymous], 1984, THERMODYNAMIC PROPER

[6] ORIENTATION EFFECTS IN SOLUTIONS OF ALCOHOLS [J].

BARKER, J .

JOURNAL OF CHEMICAL PHYSICS, 1952, 20 (05) :794-801

[7] NUCLEAR MAGNETIC RESONANCE STUDIES OF HYDROGEN BONDING IN ETHANOL [J].

BECKER, ED ;

LIDDEL, U ;

SHOOLERY, JN .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1958, 2 (01) :1-8

[8] THERMODYNAMICS OF ASSOCIATING COMPONENT + SATURATED-HYDROCARBON MIXTURES AT LOW-PRESSURES .1. DESCRIPTION OF SATURATED VAPOR-PRESSURES AND LIQUID MOLAR VOLUMES OF PURE NORMAL-ALCOHOLS IN TERMS OF ASSOCIATION [J].

CIBULKA, I ;

NAGATA, I .

FLUID PHASE EQUILIBRIA, 1987, 35 (1-3) :19-42

[9] THERMODYNAMICS OF ASSOCIATING COMPONENT + SATURATED-HYDROCARBON MIXTURES AT LOW-PRESSURES .2. EXTENSION OF THE MODEL TO CORRELATE ISOTHERMAL VAPOR-LIQUID-EQUILIBRIA AND VOLUMETRIC PROPERTIES OF NORMAL-ALCOHOL + NORMAL-ALKANE MIXTURES [J].

CIBULKA, I ;

NAGATA, I .

FLUID PHASE EQUILIBRIA, 1987, 35 (1-3) :43-63

[10] EQUATION OF STATE FOR CHAIN MOLECULES - CONTINUOUS-SPACE ANALOG OF FLORY THEORY [J].

DICKMAN, R ;

HALL, CK .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (07) :4108-4115

← 1 2 3 4 5 →