Molecular thermodynamics for solubility of gas in binary liquid

Fuxin YANG; Xiaopo WANG; Qiang CHEN; Houzhang TAN

doi:10.11949/0438-1157.20190592

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Molecular thermodynamics for solubility of gas in binary liquid

Thermodynamics | 更新时间：2020-06-24

- Molecular thermodynamics for solubility of gas in binary liquid
- CIESC Journal Vol. 70, Issue S2, Pages: 62-69(2019)
- 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：
- 基金信息：
- DOI：10.11949/0438-1157.20190592
  CLC： TK 121
- Received：29 May 2019，
  
  Revised：2019-06-09，
  
  Published：05 September 2019
- 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

Prausnitz J M , Lichtenthaler R N , de Azevedo E G . Molecular Thermodynamics of Fluid-phase Equilibria [M]. New Jersey : Prentice Hall , 1999 : 352 - 378 .

Harris H G , Prausnitz J M . Thermodynamics of solutions with physical and chemical interactions. Solubility of acetylene in organic solvents [J]. Ind. Eng. Chem. Fundam ., 1969 , 8 ( 2 ): 180 - 188 .

Kretschmer C B , Wiebe R . Thermodynamics of alcohol - hydrocarbon mixtures [J]. J. Chem. Phys ., 1954 , 22 ( 10 ): 1697 - 1701 .

陈小鹏 , 王琳琳 , 邓双 , 等 . 氢气在松节油中高压平衡溶解度和体积传质系数 [J]. 化工学报 , 2003 , 54 ( 5 ): 682 - 686 .

Chen X P , Wang L L , Deng S , et al . Equilibrium solubility and volumetric mass transfer coefficient of H 2 in turpentine at high pressure [J]. Journal of Chemical Industry and Engineering (China) , 2003 , 54 ( 5 ): 682 - 686 .

何潮洪 , 侯虞钧 , 吴兆立 . 纯气体在非挥发性溶剂中溶解度的关联 [J]. 化工学报 , 1992 , 43 ( 2 ): 178 - 183 .

He C H , Hou Y J , Wu Z L . Correlation of solubility of pure gases in non-volatile solvents [J]. Journal of Chemical Industry and Engineering (China) , 1992 , 43 ( 2 ): 178 - 183 .

何茂刚 , 白里航 , 刘思琦 , 等 . CO 2 在正戊醇中的溶解度和体积传质系数 [J]. 化工学报 , 2017 , 68 ( 5 ): 1780 - 1785 .

He M G , Bai L H , Liu S Q , et al . Solubility and volumetric mass transfer coefficient of CO 2 in 1-pentanol [J]. CIESC Journal , 2017 , 68 ( 5 ): 1780 - 1785 .

胡冬冬 , 包磊 , 刘涛 , 等 . 超临界二氧化碳-共溶剂体系与聚醋酸乙烯酯相互作用 [J]. 化工学报 , 2018 , 69 ( 2 ): 555 - 562 .

Hu D D , Bao L , Liu T , et al . Interaction between supercritial carbon dioxide-cosolvent and poly(vinyl acetate) [J]. CIESC Journal , 2018 , 69 ( 2 ): 555 - 562 .

胡英 , 徐英年 , Prausnitz J M . 气体溶解度的分子热力学(Ⅰ): 气体在非极性溶剂中的Henry常数 [J]. 化工学报 , 1987 , 38 ( 1 ): 22 - 38 .

Hu Y , Xu Y N , Prausnitz J M . Molecular thermodynamics of gas solubility (Ⅰ): Henry constant of gas in non-polar solvent [J]. Journal of Chemical Industry and Engineering (China) , 1987 , 38 ( 1 ): 22 - 38 .

沈家城 , 李竞庆 , 鲍祁 , 等 . 加压下二氧化碳在二甲基甲酰胺中的溶解度研究 [J]. 化工学报 , 1988 , 39 ( 6 ): 716 - 722 .

Shen J C , Li J Q , Bao Q , et al . Solubility of carbon dioxide in dimethylamine under pressure [J]. Journal of Chemical Industry and Engineering (China) , 1988 , 39 ( 6 ): 716 - 722 .

孙婧元 , 蒋浩 , 蒋斌波 , 等 . 乙烯和丙烯在低聚物-正己烷溶液中的溶解度及体积传质系数测定 [J]. 化工学报 , 2009 , 60 ( 9 ): 2153 - 2160 .

Sun J Y , Jiang H , Jiang B B , et al . Solubility and volumetric mass transfer coefficient of ethylene and propylene in n -hexane solution of low molecular weight polyethylene [J]. CIESC Journal , 2009 , 60 ( 9 ): 2153 - 2160 .

王邵雷 , 彭昌军 , 李鲲 , 等 . 石英晶体微平衡法测定CO 2 在聚合物中的溶解度 [J]. 化工学报 , 2003 , 54 ( 2 ): 141 - 146 .

Wang S L , Peng C J , Li K , et al . Measurement of solubilities of CO 2 in polymers by quartz crystal microbalance [J]. Journal of Chemical Industry and Engineering (China) , 2003 , 54 ( 2 ): 141 - 146 .

王伟 , 高强 , 桂霞 , 等 . 二氧化碳在稠油中溶解度的测定与模型预测 [J]. 化工学报 , 2016 , 67 ( 2 ): 442 - 447 .

Wang W , Gao Q , Gui X , et al . Determination and model prediction of solubilities of CO 2 in heavy oil under high pressure [J]. CIESC Journal , 2016 , 67 ( 2 ): 442 - 447 .

伍艳辉 , 于世昆 , 段永超 , 等 . 基团贡献法预测含极性基团离子液体对气体的溶解选择性 [J]. 化工学报 , 2011 , 62 ( 10 ): 2684 - 2690 .

Wu Y H , Yu S K , Duan Y C , et al . Determination of gas selectivity of solution in RTILs with polar group by group contribution method [J]. CIESC Journal , 2011 , 62 ( 10 ): 2684 - 2690 .

邢潇 , 赵志军 , 汤志刚 , 等 . 离子液体[Bmim][NTf 2 ]对CO 2 在碳酸二乙酯中溶解性能的强化 [J]. 化工学报 , 2017 , 68 ( 2 ): 542 - 551 .

Xing X , Zhao Z J , Tang Z G , et al . Solubility enhancement of CO 2 in diethyl carbonate by ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide [J]. CIESC Journal , 2017 , 68 ( 2 ): 542 - 551 .

徐英年 , 胡英 . 气体溶解度的分子热力学(Ⅲ): 气体在1—1价电解质溶液中的Henry常数 [J]. 化工学报 , 1987 , 38 ( 2 ): 146 - 155 .

Xu Y N , Hu Y . Molecular thermodynamics of gas solubility (Ⅲ): Henry constant of gas in 1-1 valence electrolyte solution [J]. Journal of Chemical Industry and Engineering (China) , 1987 , 38 ( 2 ): 146 - 155 .

徐英年 , 胡英 , 刘国杰 . 气体溶解度的分子热力学(Ⅱ): 气体在极性溶剂中的Henry常数 [J]. 化工学报 , 1987 , 38 ( 2 ): 137 - 145 .

Xu Y N , Hu Y , Liu G J . Molecular thermodynamics of gas solubility (Ⅱ): Henry constant of gas in polar solvent [J]. Journal of Chemical Industry and Engineering (China) , 1987 , 38 ( 2 ): 137 - 145 .

姚善泾 , 朱自强 . 气体在含盐非水溶液中的溶解度——CO 2 -CuAlCl 4 (C 6 H 5 CH 3 ) n 体系的气-液平衡 [J]. 化工学报 , 1988 , 39 ( 3 ): 327 - 334 .

Yao S J , Zhu Z Q . Solubility of gases in salt-containing non-aqueous solutions - gas-liquid equilibrium of the system CO 2 -CuAlCl 4 (C 6 H 5 CH 3 ) n [J]. Journal of Chemical Industry and Engineering (China) , 1988 , 39 ( 3 ): 327 - 334 .

张光旭 , 吴元欣 , 马沛生 , 等 . CO等气体在苯酚中的溶解度的测定及关联 [J]. 化工学报 , 2005 , 56 ( 11 ): 7 - 13 .

Zhang G X , Wu Y X , Ma P S , et al . Measurement and correlation of solubility of carbon monoxide and other gases solubility in phenol [J]. Journal of Chemical Industry and Engineering (China) , 2005 , 56 ( 11 ): 7 - 13 .

郑碏 , 董立户 , 陈健 , 等 . CO 2 捕集的吸收溶解度计算和过程模拟 [J]. 化工学报 , 2010 , 61 ( 7 ): 1740 - 1746 .

Zheng Q , Dong L H , Chen J , et al . Absorption solubility calculation and process simulation for CO 2 capture [J]. CIESC Journal , 2010 , 61 ( 7 ): 1740 - 1746 .

左有祥 , 郭天民 . 单个气体在单盐水溶液中的溶解度 [J]. 化工学报 , 1991 , 42 ( 3 ): 318 - 327 .

Zuo Y X , Guo T M . Solubility of a gas in a single salt aqueous solution [J]. Journal of Chemical Industry and Engineering (China) , 1991 , 42 ( 3 ): 318 - 327 .

Dolezalek F . On the theory of binary mixture and concentrated solutions [J]. Z. Phys. Chem ., Stoechiom Verwandtschaftsl , 1908 , 64 ( 6 ): 727 - 747 .

Prausnitz J M . Regular solution theory for gas-liquid solutions [J]. AIChE Journal , 1958 , 4 ( 3 ): 269 - 272 .

Hildebrand J H , Scott R L . The Solubility of Nonelectrolytes [M]. New York : Dover Publications , 1964 : 156 .

Jumper C F , Emerson M T , Howard B B . Self-association constant of chloroform from NMR chemical shifts [J]. The Journal of Chemical Physics , 1961 , 35 ( 5 ): 1911 - 1912 .

Lemmon E W , Span R . Short fundamental equations of state for 20 industrial fluids [J]. Journal of Chemical & Engineering Data , 2006 , 51 ( 3 ): 785 - 850 .

Clechet P . Application to the binary mixtures: the system dimethyl sulphoxide-chloroform at 20, 25, 35, 45, and 55°C [J]. Bulletin de la Societe Chimique de France , 1971 : 2866 - 2871 .

Blanks R F , Prausnitz J M . Volumetric properties of gas mixtures containing one or more polar components [J]. AIChE Journal , 1962 , 8 ( 1 ): 86 - 92 .

Nitta T , Nakamura Y , Ariyasu H , et al . Solubilities of nitrogen in binary-solutions of acetone with cyclohexane, benzene, chloroform and 2-propanol [J]. Journal of Chemical Engineering of Japan , 1980 , 13 ( 2 ): 97 - 103 .

Kearns E R . Thermodynamic studies of the system: acetone-chloroform (Ⅱ): The relation of excess mixing functions to association complexes [J]. The Journal of Physical Chemistry , 1961 , 65 ( 2 ): 314 - 316 .

Apelblat A , Tamir A , Wagner M . Thermodynamics of acetone-chloroform mixtures [J]. Fluid Phase , 1980 , 4 ( 3/4 ): 229 - 255 .

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