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Abstract�� A new molecular design method is proposed in this paper,which is used for designing the optimal extractive solvents.The method includes two steps,firstly the less amount of candidate functional groups are preselected according to the selectivity of extractive solvent to reduce the computational workload,secondly the candidate groups are synthesized into the appropriate molecules of extractive solvents by using the genetic algorithms.The new method has been proved successful by two case studies in simulating molecular design of extractive solvents.

Keywords��

Received 2006-11-15; published 2006-11-15

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�κ��;��ϼ;.һ�ּ򻯵��ȡ�ܼ��Ʒ��[J]. ��ѧ��ҵ�빤��, 2006,23(6): 536-538

SONG Hai-hua,LI Xia.A Simplified Method for Molecular Design of Extractive Solvents[J]. Chemcial Industry and Engineering, 2006,23(6): 536-538

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