采用耗散粒子动力学(Dissipative particle dynamics, DPD)方法研究了P123(PEO20-PPO70-PEO20)嵌段共聚物水溶液常温下的物理凝胶化行为. 在体积分数(2%~10%)较低时, P123在水溶液中形成球形胶束. 当P123的水溶液体积分数升高到20%时, 会形成柱状胶束. 在P123的水溶液体积分数为30%和40%时, 观察到具有三维网络结构的凝胶. 这些模拟结果不仅与实验结果一致, 而且证明了耗散粒子动力学方法是一种非常适合研究物理凝胶化行为的重要方法. 另外, 在P123的水溶液体积分数为40%时, 研究了凝胶随着时间发展的形成过程.
Dissipative particle dynamics(DPD) method was used to study the physical gelation behavior of P123(PEO20-PPO70-PEO20) block copolymer aqueous solution at room temperature. P123 in aqueous solution forms spherical micelles at lower volume fractions(2%—10%). When the volume fraction of P123 is increased to 20%, cylindrical micelles are formed. The gels with three dimensional network structures are observed when the volume fraction of P123 are 30% and 40%. These simulation results are consistent with the experiments. We find that dissipative particle dynamics simulation method is an important and suitable method to study physical gelation behaviour.