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化学进展  2004 

大分子自组装特性计算机模拟的研究*

Keywords: 大分子,表面活性剂,自组装,模板,分子动力学,模拟

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Abstract:

包括表面活性剂在内的大分子在溶液中可以形成聚集体的特性,使其在工业和生活领域得到广泛的应用.研究其自组装特性对生命体内两亲大分子的聚集行为以及生物矿化和仿生合成的研究均具有重要意义.本文分别从分子热力学和分子动力学的角度,对以表面活性剂为主的大分子自组装特性计算机模拟的研究进展进行了综述,分析并展望了对大分子溶液体系理论模拟研究的发展前景。

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