New Insight into Cluster Aggregation Mechanism during Polymerization-Induced Self-Assembly by Molecular Dynamics Simulation

Brunel, Fabrice; Lesage de la Haye, Jennifer; Lansalot, Muriel; D’Agosto, Franck

doi:10.1021/acs.jpcb.9b03622

Public

New Insight into Cluster Aggregation Mechanism during Polymerization-Induced Self-Assembly by Molecular Dynamics Simulation

Published in The Journal of Physical Chemistry B • Jul 9, 2019

Authors:

Fabrice Brunel

Jennifer Lesage de la Haye

Muriel Lansalot

Abstract

Investigations of polymerization-induced self-assembly in emulsion were conducted using molecular dynamics simulations. Using umbrella sampling and the weighted histogram analysis method algorithm, we calculated the interaction free energy between different self-assembled copolymer aggregates. In th...

Subject

Molecular dynamics

Vesicle

Copolymer

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