Issue 22, 2009
From the journal:

Soft Matter

Review of multi-scale particulate simulation of the rheology of wormlike micellar fluids†

J. T. Padding,*abc   W. J. Briels,a   M. R. Stukan‡b  and  E. S. Boek*bc  

* Corresponding authors

a Computational Biophysics, Univ. of Twente, PO Box 217, Enschede, AE, The Netherlands
E-mail: j.t.padding@utwente.nl

b Schlumberger Cambridge Research, High Cross, Madingley Road, Cambridge, United Kingdom
E-mail: esb30@cam.ac.uk

c Dept. Chemistry, Cambridge University, Lensfield Road, Cambridge, United Kingdom

Abstract

We provide a review of our recent work on the development of a multi-scale simulation methodology to calculate the rheology and flow of wormlike micelles. There is a great need for understanding the link between the detailed chemistry of surfactants, forming wormlike micelles, and their macroscopic rheological properties. We show how this link may be explored through particle simulations. First, we calculate the mechanical properties of small units of wormlike micelles from atomistic molecular dynamics simulations. These mechanical properties are subsequently used in a coarse-grained Brownian dynamics model, where the persistence length is the smallest length scale. We show that the non-Newtonian rheology of wormlike micellar systems can be accurately determined from our simple mesoscopic simulation model. Finally, we show that this mesoscopic model can be used to study the flow of wormlike micelles in contraction–expansion geometries.

Graphical abstract: Review of multi-scale particulate simulation of the rheology of wormlike micellar fluids

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Article information

DOI
https://doi.org/10.1039/B911329K
Article type
Review Article
Submitted
10 Jun 2009
Accepted
19 Aug 2009
First published
06 Oct 2009

Soft Matter, 2009,5, 4367-4375

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Review of multi-scale particulate simulation of the rheology of wormlike micellar fluids

J. T. Padding, W. J. Briels, M. R. Stukan and E. S. Boek, Soft Matter, 2009, 5, 4367 DOI: 10.1039/B911329K

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