二元聚合物刷体系相分离的计算机模拟

Computer Simulation of Phase Separation in Binary Polymer Brush Systems

利用耗散粒子动力学(DPD)方法研究了二元聚合物刷体系的相分离行为.发现组分间相容性的差别对膜厚的影响很小,对纵向相分离结构中相区尺寸的影响则较大.溶剂质量对控制聚合物刷膜的厚度和密度具有决定作用,同时对层状膜结构也具有调控作用.结果表明,通过控制环境条件,二元聚合物刷膜材料在快速且可逆地调节表面润湿性方面具有潜在的应用价值.

The phase separation in binary polymer brush system was studied by dissipative particle dynamics （DPD） simulation method. The results show that the film thickness is not sensitive to the compatibility be- tween the two polymer brush components, while the compatibility has obvious influence on the domain size during the vertical phase segregation. The role of solvent quality on controlling the film thickness and film den- sity is crucial. Meanwhile, the solvent quality is also important for tuning the layer structure in the phase sepa- ration. These results imply that by controlling the environment condition, the material prepared by the binary polymer brush film may be potentially applicable in fast tuning surface wettability reversibly.