Measurement of thermodynamic properties and development of a molecular simulation for solutions at infinite dilution.

无限稀释溶液的热力学性质测量和分子模拟开发。

• 批准号: 16560663
• 负责人: MIYANO Yoshimori
• 金额: $ 2.37万
• 依托单位: Kurashiki University of Science and the Arts
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2004
• 资助国家: 日本
• 起止时间: 2004 至 2006
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-16560663/
• 关键词: Henry's Constant; activity; butane; butene; pentanol; solubility; methanol; propanol; butanol

1.Experimental results: The following new experimental data were measured, A new experimental apparatus for measurement at high temperature was developed.(1)Henry' s law constants of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1, 3-Butadiene, Dimethylether, Chloroethane, and 1, 1-difluoroethane in methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutanol, tert-butanol, 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-l-butanol, 3-methyl-l-butanol, 2-methyl-2-butanol, Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Styrene were measured at temperatures from 250 K to 330K.(2)Development of a new apparatus for Henry' s law constant measurement at high temperature up to the critical temperature of Methanol. Henry' s law constants of propane, propene, butane, 2-methylpropane, 1-butene, 2-methylpropene, trans-2-butene, and 1, 3-butadiene in methanol were measured.2.Results from molecular simulation: Vapor-liquid equilibria for Methanol+CO2 were simulated from a previously proposed direct method, and unfortunately it was difficult to simulate the thermodynamic properties of solutions at infinite dilution.

1.实验结果：测量了以下新的实验数据，研制了一种新的高温测量实验装置。(1)测定了丙烷、丙烯、丁烷、2-甲基丙烷、1-丁烯、2-甲基丙烯、反式-2-丁烯、顺式-2-丁烯、1,3 -丁二烯、二甲醚、氯乙烷和1,1 -二氟乙烷在甲醇、1-丙醇、2-丙醇、1-丁醇、2-丁醇、异丁醇、叔丁醇、1-戊醇、2-戊醇、3-戊醇、3-戊醇、2-甲基-丁醇、2-甲基-丁醇、2-甲基-丁醇、苯、甲苯、邻二甲苯、间二甲苯、对二甲苯和苯乙烯中的亨利定律常数。(2)研制了一种新的高温至甲醇临界温度下亨利定律常数测量装置。测定了甲醇中丙烷、丙烯、丁烷、2-甲基丙烷、1-丁烯、2-甲基丙烯、反式-2-丁烯和1,3 -丁二烯的亨利定律常数。分子模拟的结果：甲醇+CO2的气液平衡是通过先前提出的直接方法模拟的，不幸的是，很难模拟无限稀释下溶液的热力学性质。

项目成果

Henry's constants and infinite dilution activity coefficients of propane, propene, butane, isobutane, 1-butene, isobutene, trans-2-butene, and 1,3-butadiene in isobutanol and tert-butanol

丙烷、丙烯、丁烷、异丁烷、1-丁烯、异丁烯、反式2-丁烯、1,3-丁二烯在异丁醇和叔丁醇中的亨利常数和无限稀释活度系数

• 发表时间: 2004
• 期刊: J. Chem. Thermodynamics 34
• 作者: Y.Miyano;O.Mitsuoka;H.Ikeda;A.Ouchi;T.Ono;K.Tsuchida;Y.Tateishi;Yoshimori Miyano;Yoshimori Miyano;Y.Miyano;Y.Miyano;Y.Miyano;Y.Miyano
• 通讯作者: Y.Miyano

Henry's law constants and infinite dilution activity coefficients of cis-2-butene, dimethylether, chloroethane, and 1,1-difluoroethane in methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutanol, tert-butanol, 1-pentanol, 2-pentanol, 3-pentanol,

顺式2-丁烯、二甲醚、氯乙烷和1,1-二氟乙烷在甲醇、1-丙醇、2-丙醇、1-丁醇、2-丁醇、异丁醇、叔丁醇中的亨利定律常数和无限稀释活度系数，

• 发表时间: 2006
• 期刊: J. of Chemical Thermodynamics 38
• 作者: Y.Miyano;A.Kimura;M.Kuroda;A.Matsushita;A.Yamasaki;Y.Yamaguchi;A.Yoshizawa;Y.Tateishi;Y.Miyano
• 通讯作者: Y.Miyano

Henry's Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl Ether, Chloroethane, and 1,1-Difluoroethane in 2-Propen-l-ol

丙烷、丙烯、丁烷、2-甲基丙烷、1-丁烯、2-甲基丙烯、反式-2-丁烯、顺式-2-丁烯、1,3-丁二烯、二甲醚、氯乙烷的亨利定律常数和无限稀释活度系数

• 发表时间: 2005
• 期刊: J. of Chemical Engineering Data 50
• 作者: Yoshimori Miyano;Ichiro Fujihara;Katsuhiko Sato;Y.Miyano;Y.Miyano;Y.Miyano;Y.Miyano;Y.Miyano;Y.Miyano
• 通讯作者: Y.Miyano

Henry's Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl, Ether, Choloroethane, and 1,1-Difluoroenthane in 2-Methyl-3-bu

丙烷、丙烯、丁烷、2-甲基丙烷、1-丁烯、2-甲基丙烯、反式-2-丁烯、顺式-2-丁烯、1,3-丁二烯、二甲基、乙醚、氯乙烷的亨利定律常数和无限稀释活度系数

• 发表时间: 2005
• 期刊: Journal of Chemical Engineering Data 50
• 作者: Y.Miyano;O.Mitsuoka;H.Ikeda;A.Ouchi;T.Ono;K.Tsuchida;Y.Tateishi
• 通讯作者: Y.Tateishi

Henry's Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, Isobutane, 1-Butene, Isobutene, trans-2-Butene and 1,3-Butadiene in 1-Butanol and 2-Butanol at (250 to 330) K

丙烷、丙烯、丁烷、异丁烷、1-丁烯、异丁烯、反式-2-丁烯和 1,3-丁二烯在 1-丁醇和 2-丁醇中在 (250 至 330) K 下的亨利常数和无限稀释活度系数

• 发表时间: 2004
• 期刊: J. of Chemical Engineering Data 49
• 作者: Y.Miyano;O.Mitsuoka;H.Ikeda;A.Ouchi;T.Ono;K.Tsuchida;Y.Tateishi;Yoshimori Miyano;Yoshimori Miyano;Y.Miyano;Y.Miyano;Y.Miyano
• 通讯作者: Y.Miyano