论文部分内容阅读
分子自组装技术已经在纳米技术、膜技术和生命科学等领域有广泛的应用。计算机模拟又是研究分子自组装特性、超分子聚集体结构和特性的有效方法。本文综述了分子自组装技术的应用情况,从热力学和动力学角度对近年分子自组装特性计算机模拟的研究进展进行了评述,最后分析了存在的一些问题并对今后的发展前景进行了展望。
Molecular self-assembly technology has been widely used in such fields as nanotechnology, membrane technology and life sciences. Computer simulation is an effective method to study the self-assembly of molecules and the structure and properties of supramolecular aggregates. This review summarizes the application of molecular self-assembly technology, reviews the progress of computer simulation of molecular self-assembly in recent years from the perspective of thermodynamics and kinetics, and finally analyzes some existing problems and prospects for the future development.