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Mesoscale modelling of miscible and immiscible multicomponent fluids

Zhao, Zuochao; Moat, Richard and Qin, Rongshan (2019). Mesoscale modelling of miscible and immiscible multicomponent fluids. Scientific reports, 9, article no. 8277 (2019).

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A mesoscopic simulation method based on the integration of dissipative particle dynamics (DPD), smoothed particle hydrodynamics (SPH) and computational thermodynamics (CT) has been developed. The kinetic behaviours of miscible and immiscible fluids were investigated. The interaction force between multicomponent mesoscopic particles is derived from the system free energy. The diffusivity of the components in non-ideal solution is determined by the chemical potential. The proposed method provides convincing predictions to the effects of convection, diffusion and microscopic interaction on the non-equilibrium evolution of engineering fluids, and demonstrates a potential to simulate more complicated phenomena in materials processing.

Item Type: Journal Item
Copyright Holders: 2019 The Authors
ISSN: 2045-2322
Project Funding Details:
Funded Project NameProject IDFunding Body
Study of the electropulse-based superclean steel green processing methodNA150320The Royal Society
Keywords: kinetics; mesoscopic modelling; interaction; thermodynamics; chemical engineering; coarse-grained models
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Engineering and Innovation
Faculty of Science, Technology, Engineering and Mathematics (STEM)
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Item ID: 61633
Depositing User: Rongshan Qin
Date Deposited: 05 Jun 2019 11:07
Last Modified: 23 Jun 2019 05:24
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