Modeling of aqueous electrolyte solutions based on primitive and first-order mean spherical approximation
文献类型：期刊论文
| 作者 | Liu, Yan1; Li, Zhibao2; Mi, Jianguo1; Zhong, Chongli1 |
| 刊名 | INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
 |
| 出版日期 | 2008-03-05 |
| 卷号 | 47期号:5页码:1695-1701 |
| 关键词 | associating fluid theory ornstein-zernike equation multiple-salt solutions 25 degrees c activity-coefficients osmotic coefficients sodium-chloride magnesium chloride ternary-system single-salt |
| ISSN号 | 0888-5885 |
| 其他题名 | Ind. Eng. Chem. Res. |
| 中文摘要 | A short-range Sutherland potential is mapped with the two-Yukawa potential and incorporated into the first-order mean spherical approximation (FMSA) theory to deal with the short-range dispersion interactions of ion-ion, ion-solvent, and solvent-solvent. An equation of state (EOS) based on primitive MSA and FMSA is constructed to describe the single- and multiple-salt solutions. With the universal and transferable ionic parameters derived from mean ionic activity coefficients and solution densities of single-salt solutions for five cations (Li+, Na+, K+, Ca2+, Mg2+) and five anions (Cl-, Br-, I-, NO3-, SO42- ), the proposed EOS predicts the correct osmotic coefficients as well as water activities for 19 monovalent and bivalent two-salt solutions. Without any additional mixing parameter, the predicted osmotic coefficients for aqueous two-salt solutions are in good agreement with experimental data. |
| 英文摘要 | A short-range Sutherland potential is mapped with the two-Yukawa potential and incorporated into the first-order mean spherical approximation (FMSA) theory to deal with the short-range dispersion interactions of ion-ion, ion-solvent, and solvent-solvent. An equation of state (EOS) based on primitive MSA and FMSA is constructed to describe the single- and multiple-salt solutions. With the universal and transferable ionic parameters derived from mean ionic activity coefficients and solution densities of single-salt solutions for five cations (Li+, Na+, K+, Ca2+, Mg2+) and five anions (Cl-, Br-, I-, NO3-, SO42- ), the proposed EOS predicts the correct osmotic coefficients as well as water activities for 19 monovalent and bivalent two-salt solutions. Without any additional mixing parameter, the predicted osmotic coefficients for aqueous two-salt solutions are in good agreement with experimental data. |
| WOS标题词 | Science & Technology ; Technology |
| 类目[WOS] | Engineering, Chemical |
| 研究领域[WOS] | Engineering |
| 关键词[WOS] | ASSOCIATING FLUID THEORY ; ORNSTEIN-ZERNIKE EQUATION ; MULTIPLE-SALT SOLUTIONS ; 25 DEGREES C ; ACTIVITY-COEFFICIENTS ; OSMOTIC COEFFICIENTS ; SODIUM-CHLORIDE ; MAGNESIUM CHLORIDE ; TERNARY-SYSTEM ; SINGLE-SALT |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000253509700042 |
| 公开日期 | 2013-10-08 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/2815]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Beijing Univ Chem Technol, Dept Chem Engn, Key Lab Bioprocess Beijing, Beijing, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, Beijing, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Yan,Li, Zhibao,Mi, Jianguo,et al. Modeling of aqueous electrolyte solutions based on primitive and first-order mean spherical approximation[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2008,47(5):1695-1701. |
| APA | Liu, Yan,Li, Zhibao,Mi, Jianguo,&Zhong, Chongli.(2008).Modeling of aqueous electrolyte solutions based on primitive and first-order mean spherical approximation.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,47(5),1695-1701. |
| MLA | Liu, Yan,et al."Modeling of aqueous electrolyte solutions based on primitive and first-order mean spherical approximation".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 47.5(2008):1695-1701. |
入库方式： OAI收割
来源：过程工程研究所
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