Modeling and Simulation of the Process for the Generation of Gradient Porous Structures From Immiscible Polymer Blends

Abstract

Abstract There has been growing interest in integrating gradient porous structures into synthetic materials like polymers. One particular method for making gradient porous polymers is nonisothermal annealing of co-continuous phase structures of immiscible polymer blends under well-defined thermal boundary conditions. In this paper, we report a method to simulate this nonisothermal phase coarsening process for the generation of gradient-phase structures by the combined implementation of phase-field transport and momentum transport. Specifically, a phase-field equation is solved first to obtain a phase structure with phase size comparable with that of the blend to be annealed. This phase structure is then used as an initial geometry in a two-phase moving-interface flow simulation to gauge into the phase structure coarsening process. Several case studies were performed, and the results show that the controllable generation of gradient-phase structures can be enabled by well-designed geometry and thermal boundary conditions. Using 2D simulations, different types of gradient-phase structures experimentally observed were predicted. With increasing power in computation, the capability of 3D simulation may be unveiled for a more accurate prediction of the nonisothermal phase coarsening process and may ultimately evolve into a useful tool for the design and processing of gradient porous polymers.