Computational prediction of microstructures in α‐alumina/PMMA composites and its experimental verification

Abstract

Processing, structure, property, and performance have been acknowledged in a linearly linked picture for materials manufacturing. It is promising to harness the processing-structure relationship to accelerate the development of functional materials. In the present study, we attempted to predict microstructures of a polymer composite via computational simulations, because functions of the polymer composite would respond to its microstructures. A program KAPSEL, which has been widely utilized to calculate dynamics of solid particles in coherent fluids, was slightly amended to handle parameters related to interfacial science. Constituents of the target polymer composite were α-alumina and poly(methyl methacrylate). When proper parameter values are given, the program yielded microstructural features similar to those found in an experiment. Nimbleness and affordability of the simulation scheme would allow us to omit experimental trial-and-error for functional polymer composites.

Continuous fiber reinforced thermoplastic composite pultrusion with in situ polymerizable methyl methacrylate: A review

“…[12,14] Therefore, establishing kinetic models of free radical vinyl polymerization is an essential step to control and optimize manufacturing process conditions as well as in-depth understanding of the reaction mechanisms during process. [15][16][17][18][19][20] The elementary reactions of the different polymerization steps are decomposition, initiation, propagation and termination. [11] The thermal decomposition of the initiators is regarded as the initiating polymerization step, and can be simulated through Arrhenius equations considering the solvent cage-effect.…”