气体在混合溶液中溶解度的分子热力学计算

杨富鑫; 王晓坡; 陈强; 谭厚章

doi:10.11949/0438-1157.20190592

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气体在混合溶液中溶解度的分子热力学计算

热力学 | 更新时间：2020-06-24

- 气体在混合溶液中溶解度的分子热力学计算
- Molecular thermodynamics for solubility of gas in binary liquid
- 化工学报 2019年70卷第S2期页码：62-69
- 作者机构：
  
  1.西安交通大学热流科学与工程教育部重点实验室，陕西西安 710049
  2.航天低温推进剂技术国家重点实验室，北京 100028
- 作者简介：
  
  杨富鑫（1985—），男，副教授，fxyang@xjtu.edu.cn
- 基金信息：
  
  国家自然科学基金项目(51606147)
- DOI：10.11949/0438-1157.20190592
  中图分类号： TK 121
- 收稿：2019-05-29，
  
  修回：2019-06-09，
  
  纸质出版：2019-09-05
- 稿件说明：
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杨富鑫, 王晓坡, 陈强, 谭厚章. 气体在混合溶液中溶解度的分子热力学计算[J]. 化工学报, 2019, 70(S2): 62-69

YANG Fuxin, WANG Xiaopo, CHEN Qiang, TAN Houzhang. Molecular thermodynamics for solubility of gas in binary liquid[J]. CIESC Journal, 2019, 70(S2): 62-69
杨富鑫, 王晓坡, 陈强, 谭厚章. 气体在混合溶液中溶解度的分子热力学计算[J]. 化工学报, 2019, 70(S2): 62-69 DOI： 10.11949/0438-1157.20190592.

YANG Fuxin, WANG Xiaopo, CHEN Qiang, TAN Houzhang. Molecular thermodynamics for solubility of gas in binary liquid[J]. CIESC Journal, 2019, 70(S2): 62-69 DOI： 10.11949/0438-1157.20190592.

摘要

开发出一个分子热力学模型来预测低压下难溶于溶剂且不与溶剂发生反应的气体在二元混合溶液的溶解度，混合物中含有缔合作用成分及溶剂化作用成分，即形成配位化合物。在该模型中，Gibbs能为三个等温混合过程的和。溶质的偏摩尔过量Gibbs能由两部分组成，即化学和物理贡献。为了验证该模型的准确性，将该模型用于计算氮气在丙酮和氯仿混合物的溶解度。考虑实验的不确定度，氮气在二元混合溶液中的溶解度与实验数据吻合良好。

Abstract

A molecular-thermodynamic theory has been developed for predicting the solubility of a sparingly soluble gas in a complex binary liquid mixture at 0.101325 MPa. The binary liquid mixtures contain associating and solvating components whose molecules form weak chemical compounds. The Gibbs energy for the mixing process is the sum of three isothermal steps. The partial molar excess Gibbs energy of the solute is represented by two contributions

chemical and physical. When experimental uncertainties are taken into account

the predicted solubility of nitrogen in the binary solvent is in good agreement with previously published experimental solubility data.

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references

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