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| 萃取溶剂分子设计的官能团预选 | |
| 引用本文： | 杨晓光,宋海华. 萃取溶剂分子设计的官能团预选[J]. 化学工程, 2006, 34(3): 10-12,23 |
| 作者姓名： | 杨晓光 宋海华 |
| 作者单位： | 天津大学,化工学院,天津,300072;天津大学,化工学院,天津,300072 |
| 摘 要： | 提出一种萃取溶剂分子设计中预选官能团的新方法,可以有效地缩小分子设计问题的规模。这种方法首先将分子体系中分子相互作用能的概念推广到官能团溶液,再联系UNIFAC法的相互作用参数,得到官能团预选的分子判据;然后结合Gan i的官能团预选经验规则,最终使萃取溶剂分子设计的官能团预选问题得到较好的解决。 |
| 关 键 词： | 萃取溶剂分子设计 官能团预选 UNIFAC法 |
| 文章编号： | 1005-9954（2006）03-0010-03 |
Group preselection for molecular design of extraction solvents |
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| YANG Xiao-guang,SONG Hai-hua. Group preselection for molecular design of extraction solvents[J]. Chemical Engineering, 2006, 34(3): 10-12,23 | |
| Authors: | YANG Xiao-guang SONG Hai-hua |
| Affiliation: | School of Chemical Engineering, Tianjin University, Tianjin 300072, China |
| Abstract: | A new method was proposed to preselect group for molecular design of extraction solvents,which can reduce the workload of molecular design efficiently.It includes two parts.One is to get a criterion by establishing a connection between the interaction energy of molecules in group solution and the interaction parameters in UNIFAC method;the other is to combine Gani′s group preselection rules.The new method is well-proven with two examples. |
| Keywords: | molecular design of extraction solvents group preselection UNIFAC method |
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