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.
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.
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Presenters
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Hideki Kobayashi
Department of Chemistry, University of Cambridge
Authors
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Hideki Kobayashi
Department of Chemistry, University of Cambridge
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Paul Rohrbach
Department of Applied Mathematics and Theoretical Physics, University of Cambridge
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Robert Scheichl
Institute for Applied Mathematics and Interdisciplinary Center for Scientific Computing (IWR), University of Heidelberg
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Nigel B. Wilding
School of Physics, Universty of Bristol
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Robert L Jack
Department of Applied Mathematics and Theoretical Physics, University of Cambridge