Issue 33, 2017, Issue in Progress

MesoDyn prediction of a pharmaceutical microemulsion self-assembly consistent with experimental measurements

Abstract

In this work, for the first time a coarse-grained model in a mesoscopic dynamic (MesoDyn) simulation forĀ a pharmaceutical nonionic surfactant Brij97 was presented. By using this coarse-grained model, the morphology transition from oil in water (O/W) to a bicontinuous microemulsion formed in the Brij97/isopropanol/isoamyl acetate/H2O quaternary system was predicted. Furthermore, the effect of emulsifier/isoamyl acetate mass ratio, Brij97/alcohol mass ratio and alcohol structure on the droplets size and kinetic formation process of the O/W microemulsion were studied. These MesoDyn predictions were consistent with experimental measurements. This makes it possible to further predict the formation mechanism of complex drug-loaded aggregates of Brij97 by using this coarse-grained model.

Graphical abstract: MesoDyn prediction of a pharmaceutical microemulsion self-assembly consistent with experimental measurements

Article information

Article type
Paper
Submitted
07 Feb 2017
Accepted
23 Mar 2017
First published
07 Apr 2017
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2017,7, 20293-20299

MesoDyn prediction of a pharmaceutical microemulsion self-assembly consistent with experimental measurements

X. Zhao, Z. Wang, S. Yuan, J. Lu and Z. Wang, RSC Adv., 2017, 7, 20293 DOI: 10.1039/C7RA01541K

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