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Understanding flow-induced crystallisation in polymers: a perspective on the role of molecular simulations

Graham, Richard S.

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Authors

RICHARD GRAHAM richard.graham@nottingham.ac.uk
Professor of Applied Mathematics



Abstract

Flow induced crystallisation in polymers is an important problem in both fundamental polymer science and industrial polymer processing. The key process of flow-induced nucleation occurs on a very rapid timescale and on a highly localised lengthscale and so is extremely difficult to observe directly in experiments. However, recent advances in molecular dynamics simulations mean that flow-induced nucleation can be simulated at an achievable computational cost. Such studies offer unrivalled time and lengthscale resolution of the nucleation process. Nevertheless, the computational cost of molecular dynamics places considerable constraints on the range of molecular weights, temperature and polydispersity that can be studied. In this review I will discuss recent progress, describe how future work might resolve or work around the constraints of molecular simulation and examine how multiscale modelling could translate molecular insight into improved polymer processing.

Citation

Graham, R. S. (2019). Understanding flow-induced crystallisation in polymers: a perspective on the role of molecular simulations. Journal of Rheology, 63(1), 203-214. https://doi.org/10.1122/1.5056170

Journal Article Type Article
Acceptance Date Nov 24, 2018
Online Publication Date Jan 8, 2019
Publication Date Jan 8, 2019
Deposit Date Nov 27, 2018
Publicly Available Date Nov 27, 2018
Journal Journal of Rheology
Print ISSN 0148-6055
Electronic ISSN 1520-8516
Publisher AIP Publishing
Peer Reviewed Peer Reviewed
Volume 63
Issue 1
Pages 203-214
DOI https://doi.org/10.1122/1.5056170
Public URL https://nottingham-repository.worktribe.com/output/1312674
Publisher URL https://sor.scitation.org/doi/10.1122/1.5056170
Additional Information Received: 2018-09-12; Accepted: 2018-11-24; Published: 2019-01-08

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