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C12E2-正十二烷-水体系界面行为的分子动力学模拟

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Indexed by:期刊论文

Date of Publication:2018-03-15

Journal:河南化工

Volume:35

Issue:3

Page Number:23-26

ISSN No.:1003-3467

Key Words:分子动力学;模拟;界面;十二烷基醇聚氧乙烯醚(C12E2);正十二烷

Abstract:采用分子动力学模拟技术,对C12E2-正十二烷-水体系的界面行为进行了研究.模拟结果表明:C12E2-正十二烷-水体系的界面厚度随温度的升高而产生较大的起伏;在343 K时,界面厚度出现最大值.C12E2-正十二烷-水体系的界面张力随温度的提高而出现较大的波动;在343 K时,界面张力出现最小值.

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