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A Computational Model for High Speed Screening of Polymer Microstructures
Author(s) -
Wang Kegang,
Glicksman Martin E.,
Rajan Krishna
Publication year - 2004
Publication title -
macromolecular rapid communications
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.348
H-Index - 154
eISSN - 1521-3927
pISSN - 1022-1336
DOI - 10.1002/marc.200300174
Subject(s) - polymer , ultrafiltration (renal) , volume (thermodynamics) , particle size , particle (ecology) , materials science , membrane , diffusion , statistical physics , biological system , nanotechnology , chemistry , physics , chromatography , thermodynamics , composite material , geology , biochemistry , oceanography , biology
Abstract Summary: 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.Particle size distributions for various volume fractions of aggregates calculated for two thousand polymer aggregates.