摘要
介绍了材料研究中的蒙特卡罗、元胞自动机和耗散粒子动力学三种介观模拟方法的原理和应用。重点阐述了耗散粒子动力学方法在材料研究领域中的应用,包括嵌段共聚物在水溶液中的聚集行为、聚合物和表面活性剂的相互作用、复杂流体流动的耗散粒子动力学研究、嵌段共聚物的微相分离等,除此之外,笔者还初步探索了耗散粒子动力学在熔体静电纺丝领域的应用。最后指出了耗散粒子动力学方法在材料领域计算机介观模拟方面的优势和发展潜力。
In this paper, theory and application of mesoseopic simulation methods, which include Monte Carlo, Cellular Automata and Dissipative Particle Dynamics, are summarized. Especially the application of Dissipative Particle Dynamics method in the simulation of material field was reviewed, such as the study of aggregation behavior of block polymer in aqueous solution, the interaction of surfactant and polymer, the study of complex fluid flows and microphase separation of block polymer. Furthermore, application of Dissipative Particle Dynamics in melt electrospinning is preliminary explored by author. Lastly, the advantage and potential of Dissipative Particle Dynamics method in mesoscopic simulation of materials were pointed out.
出处
《高分子通报》
CAS
CSCD
北大核心
2011年第7期30-36,共7页
Polymer Bulletin
