The self-consistent multi scale simulation of complex fluids

ORAL

Abstract

We present a method that uses self-consistent simulation of coarse grained and fine-grained models, in order to analyse properties of physical systems. The method uses the coarse-grained model to obtain a first estimate of the quantity of interest, before computing a correction by analysing properties of the fine system.
We illustrate the method by applying it to the Asakura-Oosawa (AO) model of colloid-polymer mixtures. We show that the liquid-vapour critical point in that system is affected by three-body interactions which are neglected in the corresponding coarse-grained model. We analyse the size of this effect and the nature of the three-body and higher interactions.
Additionally, we apply our methodology to the binary hard-sphere mixture to demonstrate the existence of the liquid-vapour critical point.

*This work was supported by the Leverhulme Trust through research project grant number RPG-2017-203.

Presenters

  • Hideki Kobayashi

    • Department of Chemistry, University of Cambridge

Authors

  • Hideki Kobayashi

    • Department of Chemistry, University of Cambridge
  • Paul Rohrbach

    • Department of Applied Mathematics and Theoretical Physics, University of Cambridge
  • Robert Scheichl

    • Institute for Applied Mathematics and Interdisciplinary Center for Scientific Computing (IWR), University of Heidelberg
  • Nigel B. Wilding

    • School of Physics, Universty of Bristol
  • Robert L Jack

    • Department of Applied Mathematics and Theoretical Physics, University of Cambridge