Modeling of Functional Group Distribution in Copolymerization: A Comparison of Deterministic and Stochastic Approaches

Ali Parsa, Mohammad; Kozhan, Iurii; Wulkow, Michael; A. Hutchinson, Robin

doi:10.1002/mats.201300156

Public

Modeling of Functional Group Distribution in Copolymerization: A Comparison of Deterministic and Stochastic Approaches

Published in Macromolecular Theory and Simulations • Dec 19, 2013

Authors:

Mohammad Ali Parsa

Iurii Kozhan

Michael Wulkow

Abstract

The distribution of functional groups in polymer chains produced in radical copolymerization by starved‐feed semibatch operation is simulated using three different methodologies. Even under perfect control of the overall copolymer composition, a significant fraction of the polymer chains produced co...

Subject

Copolymer

Monte Carlo method

Polymer

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