| 分离过程第3组分分子设计的一种新策略 |
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| 引用本文： | 林金清,李浩然.分离过程第3组分分子设计的一种新策略[J].化工学报,2000,51(4):452-456. |
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| 作者姓名： | 林金清 李浩然 |
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| 作者单位： | 浙江大学化学系!杭州310027;华侨大学化工学院,福建泉州362011,浙江大学化学系!杭州310027,浙江大学化学系!杭州310027 |
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| 摘 要： | 提出一种新的基于基团贡献法设计并筛选选择性分离第 3组分的计算机辅助分子设计策略 ,推出由预选基团构成目标分子时必须遵循的组合方式表 ,对Gani等首创的同类设计方法做了补充和改进 ,并编制了相应的设计软件。应用本设计方法和设计软件 ,能从预选基团出发设计得到所有组合可能的目标分子 .列举了几个设计实例 .
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| 关 键 词： | 分子设计 基团贡献法 选择性分离 分离过程 |
NEW STRATEGY FOR COMPUTER-AIDED MOLECULAR DESIGN OF THIRD COMPONENT IN SEPARATION PROCESS |
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| Lin Jinqing,Li Haoran and Han Shijun .NEW STRATEGY FOR COMPUTER-AIDED MOLECULAR DESIGN OF THIRD COMPONENT IN SEPARATION PROCESS[J].Journal of Chemical Industry and Engineering(China),2000,51(4):452-456. |
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| Authors: | Lin Jinqing Li Haoran and Han Shijun |
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| Affiliation: | Lin Jinqing,,Li Haoran and Han Shijun (Department of Chemistry,Zhejiang University,Hangzhou?,College of Chemical Engineering,Huaqiao University,Quanzhou,Fujian?) |
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| Abstract: | A new strategy for computer-aided molecular design of third component in selective separation process is proposed and a group-connecting-fashion table is derived, which is supposed to be a complement to and an improvement of Ganis method. A computer soft-package is developed. By using the proposed strategy and the computer soft-package, all the possible combination of pre-selected number of groups can be obtained successfully. Several design examples are presented. |
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