两亲性梳形高分子在油水界面自组装行为的Monte Carlo模拟

Monte Carlo Simulation for the Self-Assmbly of Amphiphilic Comb-Shape Copolymers in the Water/Oil Interface

采用三维 Monte Carlo技术模拟了两亲性梳形高分子在油水界面的自组装行为 ,用三维立体显示软件观察了所形成的自组装微相结构 ,统计了自组装过程体系自由能的变化。结果表明 :两亲性梳形高分子可以油水界面自组装成球状、管状、双连续结构及层状结构 ;自组装结构的形成与体系特定热力学状态有关 ;主链亲水型梳形高分子与主链亲油型梳形高分子将表现出不同的自组装结构选择性。

Seif assembly behaviors of amphiphilic comb shape copolymer water oil systems were simulated by a three dimensional Monte Carlo lattice model.The resulted three dimentional Micro phase structures were demonstated by the software.Free enery changes were also computed.Some self assembly structures such as spheres,cylinders,cross session cylinders and lamellae were identified.The microstructures depended on the volume ratios of oil,water and comb shape macromolecule,and on the architectures of amphiphiles.For the same architecture,A 9B 9 3 formed cylinder structure and however B 9A 9 3 gave lamella when the surfactants were 30% and mixed with 10% oil and 60% water.From Monte Carlo free energies,it can be found that these regular micro phase structures as described above were formed when f was close to zero.