Abstract
We present a method that exploits self-consistent simulation of coarse-grained and fine-grained models in order to analyze 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 analyzing properties of the fine system. We illustrate the method by applying it to the Asakura-Oosawa model of colloid-polymer mixtures. We show that the liquid-vapor critical point in that system is affected by three-body interactions which are neglected in the corresponding coarse-grained model. We analyze the size of this effect and the nature of the three-body interactions. We also analyze the accuracy of the method as a function of the associated computational effort.
Original language | English |
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Article number | 144108 |
Pages (from-to) | 144108 |
Journal | Journal of Chemical Physics |
Volume | 151 |
Issue number | 14 |
Early online date | 8 Oct 2019 |
DOIs | |
Publication status | Published - 14 Oct 2019 |
Funding
This work was supported by the Leverhulme Trust through research project Grant No. RPG–2017–203.
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry