A Computational Model for High Speed Screening of Polymer Microstructures

Kegang Wang; Martin E. Glicksman; Krishna Rajan

doi:10.1002/marc.200300174

A Computational Model for High Speed Screening of Polymer Microstructures

Kegang Wang
, Martin E. Glicksman
, Krishna Rajan

Department of Materials Design and Innovation

Rensselaer Polytechnic Institute

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	377-381
Number of pages	5
Journal	Macromolecular Rapid Communications
Volume	25
Issue number	1
DOIs	https://doi.org/10.1002/marc.200300174
State	Published - Jan 2 2004

Keywords

Microstructure
Modeling
Separation techniques
Simulations
Structure-property relations

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10.1002/marc.200300174

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title = "A Computational Model for High Speed Screening of Polymer Microstructures",

abstract = "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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AU - Wang, Kegang

AU - Glicksman, Martin E.

AU - Rajan, Krishna

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N2 - 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.

AB - 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.

KW - Microstructure

KW - Modeling

KW - Separation techniques

KW - Simulations

KW - Structure-property relations

UR - https://www.scopus.com/pages/publications/0442294085

U2 - 10.1002/marc.200300174

DO - 10.1002/marc.200300174

M3 - Article

AN - SCOPUS:0442294085

SN - 1022-1336

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SP - 377

EP - 381

JO - Macromolecular Rapid Communications

JF - Macromolecular Rapid Communications

IS - 1

ER -

A Computational Model for High Speed Screening of Polymer Microstructures

Abstract

Keywords

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