耗散粒子动力学模拟方法在软物质体系研究中的一些进展与应用

Progress and Applications of Dissipative Particle Dynamics Simulation Method in Soft Matters

软物质是指处于固体和理想流体之间的复杂态物质,主要包括聚合物、表面活性剂、液晶、胶体悬浮液、以及生物大分子等。软物质能够对外界微小的作用产生强烈的非线性响应,并展现出丰富的有序自组装相态。作为一种新颖的模拟技术,耗散粒子动力学方法非常适合在介观尺度上对软物质体系的复杂行为进行合理的描述。本文对耗散粒子动力学模拟方法的发展及一些应用进行了系统评述。耗散粒子动力学模拟方法体现了分子动力学与格子Boltzmann模型的优点,通过与其它理论模型(如Flory-Huggins理论、Smoothed particle hydrodynamics模型等)相结合,该方法能够在介观尺度上有效地研究聚合物熔体和溶液体系、生物膜及囊泡体系以及胶体悬浮液等体系的行为。这些研究结果,对新材料的研发、特殊材料的制备、以及材料加工条件的选择具有十分重要的科学意义和实际应用价值。

Soft matters comprise a variety of complex physical states between the ideal ？uid and solid state.The representative examples are polymers,surfactants,liquid crystals,colloid and biological macromolecules.Soft matters exhibit strong nonlinear response to weak impulse from environment,and could also show extensive self-assembly behavior.As a novel simulation technique,dissipative particle dynamics（DPD） method is a robust tool to investigate the complex behavior of soft matters at mesoscopic level.Here we present a review on the development of DPD method and its applications in soft matters researches.In fact,DPD can be well combined with other theoretical methods,such as Flory-Huggins theory and smoothed particle hydrodynamics model,to e？ectively elucidate the properties of polymer melt,polymer solution,bio-membrane,vesicles and colloid systems.From an application point of view,the simulation results could provide important evidence and possibility for synthesizing new materials,realizing new structure and optimizing the processing condition.