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Interfacial structures of polymer matrix-filler particle composites play a crucial role in determining the properties of the composite materials, such as the gas separation performance of mixed matrix membranes. Monte Carlo simulations employing coarse-graining models show that the density distribution and the fraction of free volume of the polymer at the interface are dominated by the interaction...
This study investigated the factors responsible for molecular interactions leading to self-assembly between the molecules of sorbitol and polyhedral oligomeric silsesquioxane (POSS) carrying organic and inorganic side groups. The study also assessed the utility of such molecular adducts as processing aids which will aid preparation of polymer compounds, films, and spun fibers. Several POSS molecules...
The complexation between a polyampholyte and a charged particle was investigated via Monte Carlo simulations on an off-lattice. The simulations revealed that there are three regions for the conformation of the complex formed between a positively charged particle and a polyampholyte chain. When the charge density and the size of the particle were small, the chain adsorbed on the particle surface maintained...
The morphologies of A m1 B 2n A m2 and A m B n C p triblock copolymer melt films confined between two hard walls are investigated via Monte Carlo simulations on simple cubic lattices. Depending upon the thickness of the film, parallel, perforated, mesh-like and normal lamellae can occur in A 5 B 10 A 5 melts...
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