A computational model for high speed screening of polymer microstructures

KG Wang and ME Glicksman and K Rajan, MACROMOLECULAR RAPID COMMUNICATIONS, 25, 377-381 (2004).

DOI: 10.1002/marc.200300174

In this paper we outline a computational strategy that permits the modeling of simultaneous interactions between very large numbers of polymer aggregates. Using a multiparticle diffusion method, we have simulated the dynamics of phase coarsening which can serve as the basis of conducting "virtual" combinatorial experiments and high-throughput screening of pore size distributions for ultrafiltration membranes.

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