| 题名 | Solubility correlation by model with partial molar volume |
| 作者 | |
| 通讯作者 | Yu, Qiushuo; Yang, Huaiyu |
| 发表日期 | 2022-11-01
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| DOI | |
| 发表期刊 | |
| ISSN | 0008-4034
|
| EISSN | 1939-019X
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| 卷号 | 101期号:7页码:4151-4159 |
| 摘要 | Jouyban-Acree/van't Hoff model was often used to correlate solubility data, which was related to temperature, and the mole fraction of each solvent in the mixture of two solvents. In this work, the partial molar volume of each component in the mixture of two solvents was first time introduced as a modification to the Jouyban-Acree/van't Hoff model. Furthermore, machine learning and artificial intelligence (AI) technology based on temperature, mole fraction, and partial molar volume of each solvent were employed to improve the accuracy of the solubility estimation. The models were evaluated in terms of their ability to mathematically correlate solute solubility in binary solvents. An average root mean square deviation (RMSD) is used to measure the deviation between the calculated values and the experimental values. With partial molar volume as a modified parameter of the Jouyban-Acree/van't Hoff model, the overall RMSD of all the correlations of solubility improved. |
| 关键词 | |
| 相关链接 | [来源记录] |
| 收录类别 | |
| 语种 | 英语
|
| 学校署名 | 其他
|
| 资助项目 | NSFC[21978234]
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| WOS研究方向 | Engineering
|
| WOS类目 | Engineering, Chemical
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| WOS记录号 | WOS:000888256500001
|
| 出版者 | |
| EI入藏号 | 20225013220614
|
| EI主题词 | Artificial intelligence
; Mixtures
; Solvents
; Volume measurement
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| EI分类号 | Artificial Intelligence:723.4
; Physical Chemistry:801.4
; Chemical Agents and Basic Industrial Chemicals:803
; Mechanical Variables Measurements:943.2
|
| ESI学科分类 | CHEMISTRY
|
| 来源库 | Web of Science
|
| 引用统计 |
被引频次[WOS]：3
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| 成果类型 | 期刊论文 |
| 条目标识符 | http://sustech.caswiz.com/handle/2SGJ60CL/415956 |
| 专题 | 理学院_化学系 |
| 作者单位 | 1.Sch Chem Engn, Xian, Peoples R China 2.Southern Univ Sci & Technol China, Dept Chem, Shenzhen, Peoples R China 3.Loughborough Univ, Dept Chem Engn, Loughborough, England 4.Northwest Univ, Sch Chem Engn, Xian 710069, Shaanxi, Peoples R China 5.Loughborough Univ, Dept Chem Engn, Loughborough LE11 3TU, England |
| 推荐引用方式 GB/T 7714 |
Yu, Qiushuo,Li, Junjun,Liu, Chao,et al. Solubility correlation by model with partial molar volume[J]. CANADIAN JOURNAL OF CHEMICAL ENGINEERING,2022,101(7):4151-4159.
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| APA |
Yu, Qiushuo,Li, Junjun,Liu, Chao,&Yang, Huaiyu.(2022).Solubility correlation by model with partial molar volume.CANADIAN JOURNAL OF CHEMICAL ENGINEERING,101(7),4151-4159.
|
| MLA |
Yu, Qiushuo,et al."Solubility correlation by model with partial molar volume".CANADIAN JOURNAL OF CHEMICAL ENGINEERING 101.7(2022):4151-4159.
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| 条目包含的文件 | 条目无相关文件。 | |||||
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