表面活性剂自组装的计算机模拟及在新材料中的应用进展  

Progress on computer simulation of surfactant self-assemblies and its applications in manufacture of new materials

作　　者：惠路华[1] 洪坤[2] 詹予忠[2] 

机构地区：[1]淮阴师范学院计算机科学系,江苏淮安223001 [2]郑州大学化工学院,河南郑州450002

出　　处：《日用化学工业》2006年第6期374-378,共5页China Surfactant Detergent & Cosmetics

摘　　要：从热力学和动力学角度对近年表面活性剂自组装特性的计算机模拟研究进行了综述,计算机模拟是研究表面活性剂自组装特性、超分子聚集体结构和特性的有效方法;叙述了表面活性剂在新材料中的应用情况,表面活性剂分子在溶液中和界面上可以自组装形成有序的超分子聚集体,从而在材料制备中发挥重要的作用;提出了存在的一些问题并对发展前景进行了展望。The study on the characteristics of computer simulation of surfactant self- assemplies was summarized in aspects of thermodynamics and chemical kinetics. Computer simulation is an effective method for the study on characteristics of surfactant assemblies as well as super- molecular aggregates. The application of surfactants in the field of manufacture of new materials were presented. Surfactant molecules can self- assemble in solutions and on the interphases, forming ordered supermolecular aggregates, thereby play an important role in the field of manufacture of new materials. The current exsisted problems and the future prospects in this filed was pointed out.

关 键 词：表面活性剂 计算机模拟 自组装 新材料 

分 类 号：TQ423[化学工程] TP15[自动化与计算机技术—控制理论与控制工程]