CALCULATING ACTIVITY COEFFICIENTS OF ELECTROLYTE AQUEOUS SOLUTION WITH PERTURBATION THEORY-BASED EQUATION OF STATE
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CALCULATING ACTIVITY COEFFICIENTS OF ELECTROLYTE AQUEOUS SOLUTION WITH PERTURBATION THEORY-BASED EQUATION OF STATE
CIESC JournalIssue 4, (2001)
作者机构:
1. 北京化工大学化学工程学院
2. 北京化工大学应用化学系
3. 清华大学化学工程系
作者简介:
基金信息:
DOI:
CLC:
Online First:25 April 2001,
Published:25 April 2001
稿件说明:
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LI Chunxi, SONG Hongyan, LI Yigui, et al. CALCULATING ACTIVITY COEFFICIENTS OF ELECTROLYTE AQUEOUS SOLUTION WITH PERTURBATION THEORY-BASED EQUATION OF STATE[J]. CIESC Journal, 2001, (4).
DOI:
LI Chunxi, SONG Hongyan, LI Yigui, et al. CALCULATING ACTIVITY COEFFICIENTS OF ELECTROLYTE AQUEOUS SOLUTION WITH PERTURBATION THEORY-BASED EQUATION OF STATE[J]. CIESC Journal, 2001, (4).DOI:
CALCULATING ACTIVITY COEFFICIENTS OF ELECTROLYTE AQUEOUS SOLUTION WITH PERTURBATION THEORY-BASED EQUATION OF STATE
摘要
Abstract
An equation of state for electrolyte aqueous solution is developed by treating the ion-ion electrostatic and ion-solvent molecule interactions with primitive MSA and perturbation theory
respectively. The effect of the dielectric constant on the ionic chemical potential and the calculation accuracy of ionic mean activity coefficients for 2∶1 and 1∶1 type halide aqueous solution are discussed.By taking ionic Pauling diameter as ionic hard sphere diameter for anions and treating the cation hard sphere diameter as ionic strength dependent
the equation can be used to calculate ionic activity coefficients in the moderate concentration range with good accuracy.