The role of geometric constraints in amphiphilic self-assembly: A Brownian dynamics study
作者： Geuorgui K. Bourov , Aniket Bhattacharya
DOI: 10.1063/1.1614210
关键词: Brownian motion 、 Self-assembly 、 Computational chemistry 、 Chemical physics 、 Head (vessel) 、 Micelle 、 Cluster (physics) 、 Critical micelle concentration 、 Brownian dynamics 、 Molecular dynamics 、 Chemistry
摘要: We use a stochastic molecular dynamics simulation method to investigate the effect of optimal head group area in amphiphilic self-assembly. For fixed tail geometry, we choose several sizes effective and carry out detailed study how this affects critical micelle concentration (CMC), cluster distribution, shape micelles for different concentrations temperature. find that with an increase area, CMC is attained at larger free chains all temperatures. Likewise, given concentration, amphiphiles exhibit sharper distribution tendency form more spherical micelles. Our shows way control size can have potential impact on synthesis nano-structures through surfactant mediated templating methods.
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