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).

DOI: https://doi.org/10.1038/s41598-019-44745-8

Abstract

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.

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About

• Item ORO ID
• 61633
• Item Type
• Journal Item
• ISSN
• 2045-2322
• Project Funding Details

• Funded Project Name	Project ID	Funding Body
  UKCOMES	EP/R029598/1	EPSRC
  Study of the electropulse-based superclean steel green processing method	NA150320	The Royal Society

• Keywords
• kinetics; mesoscopic modelling; interaction; thermodynamics; chemical engineering; coarse-grained models
• Academic Unit or School
• Faculty of Science, Technology, Engineering and Mathematics (STEM) > Engineering and Innovation
  Faculty of Science, Technology, Engineering and Mathematics (STEM)
• Copyright Holders
• © 2019 The Authors
• Related URLs
• • http://creativecommons.org/licenses/by/4...(Other)
• Depositing User
• Rongshan Qin