Calculation of thermodynamic properties for 1：1 electrolyte solutions by square-well chain fluid with variable range-based equation of state

doi:10.3969/j.issn.0438-1157.2014.01.005

CIESC Journal ›› 2014, Vol. 65 ›› Issue (1): 39-46.DOI: 10.3969/j.issn.0438-1157.2014.01.005

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Calculation of thermodynamic properties for 1：1 electrolyte solutions by square-well chain fluid with variable range-based equation of state

LUO Zhilin¹, LI Jinlong², PENG Changjun¹, LIU Honglai¹

1 State Key Laboratory of Chemical Engineering, Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China;
2 School of Information of Science and Engineering, East China University of Science and Technology, Shanghai 200237, China

Received:2013-09-05 Revised:2013-10-31 Online:2014-01-05 Published:2014-01-05
Supported by:
supported by the National Natural Science Foundation of China (21136004, 21276073)，the National Basic Research Program of China (2009CB219902), the Fundamental Research Funds for the Central Universities of China（222201313001）and the Natural Science Foundation of Shanghai (13ZR1411300).

利用变阱宽方阱链流体状态方程计算1：1电解质溶液热力学性质

罗志林¹, 李进龙², 彭昌军¹, 刘洪来¹

1 华东理工大学化学系, 化学工程联合国家重点实验室, 上海 200237;
2 华东理工大学信息科学与工程学院, 上海 200237

通讯作者: 彭昌军
作者简介:罗志林（1987-），男，硕士研究生。
基金资助:
国家自然科学基金项目（21136004，21276073）；国家重点基础研究发展计划项目（2009CB219902）；中央高校基本科研业务费（222201313001）；上海市自然科学基金项目（13ZR1411300）。

Abstract

Abstract: An equation of state (EOS) for square-well chain fluids with variable range was applied to calculate thermodynamic properties of 1:1 aqueous electrolyte solutions. The segment diameter and dispersive energy parameter for 22 ions were fitted by experimental data of the mean ionic activity coefficient and osmotic coefficient of more than 40 aqueous electrolyte solutions, with overall average deviations of 6.03% and 5.83%, respectively. The results showed that the EOS can satisfactorily predict the density of aqueous electrolyte solutions and vapor liquid equilibrium of aqueous electrolyte solutions in wide range of temperature with overall average deviations of 0.22% and 4.69%, respectively. The overall average deviations of the prediction proves the reliability of the model parameters.

Key words: aqueous electrolyte solution, equation of state, thermodynamic properties, vapor liquid equilibria

摘要： 将变阱宽方阱链流体状态方程拓展到1：1强电解质水溶液热力学性质的计算中，通过关联溶液的平均离子活度系数和溶剂的渗透系数得到了22种离子的链节直径和方阱能量参数，40余种电解质溶液的平均离子活度系数和溶剂渗透系数的总平均相对偏差分别为6.03%和5.83%。计算结果表明，建立的电解质型状态方程可以满意预测电解质溶液的密度和宽广温度下溶液的蒸气压，总体平均相对偏差分别为0.22%和4.69%。进一步说明模型参数的可靠性。

关键词: 电解质水溶液, 状态方程, 热力学性质, 汽液平衡

CLC Number:

TQ013.1

LUO Zhilin, LI Jinlong, PENG Changjun, LIU Honglai. Calculation of thermodynamic properties for 1：1 electrolyte solutions by square-well chain fluid with variable range-based equation of state[J]. CIESC Journal, 2014, 65(1): 39-46.

罗志林, 李进龙, 彭昌军, 刘洪来. 利用变阱宽方阱链流体状态方程计算1：1电解质溶液热力学性质[J]. 化工学报, 2014, 65(1): 39-46.

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Calculation of thermodynamic properties for 1：1 electrolyte solutions by square-well chain fluid with variable range-based equation of state

利用变阱宽方阱链流体状态方程计算1：1电解质溶液热力学性质

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