Thermodynamically consistent phase-field modelling of activated solute transport in binary solvent fluids.

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Title: Thermodynamically consistent phase-field modelling of activated solute transport in binary solvent fluids.
Authors: Kou, Jisheng1,2 (AUTHOR) jishengkou@163.com, Salama, Amgad3 (AUTHOR), Wang, Xiuhua2 (AUTHOR) jishengkou@163.com
Source: Journal of Fluid Mechanics. 1/13/2023, Vol. 955, p1-47. 47p.
Subjects: Solubility, Second law of thermodynamics, Solvents, Fluids, Two-phase flow, Conservation of mass
Abstract: Active diffusion of substances in binary immiscible and incompressible fluids with different densities occurs universally in nature and industry, but relevant mathematical models and numerical simulation have been studied scarcely so far. In this paper, a thermodynamically consistent phase-field model is established to describe the activated solute transport in binary fluids with different densities. A mixed free-energy function for multiple solutes is proposed, which leads to different solute chemical potentials in binary solvent fluids, thus it has the ability to characterize the solubility difference of the solutes in two solvents. The two-phase flow is governed by a general hydrodynamic phase-field model that can account for general average velocity and different densities. The proposed model is derived rigorously using the second law of thermodynamics. Moreover, a general multi-component solute diffusion model is established using the Maxwell–Stefan approach, which involves the crossing influences between different solutes. To solve the model effectively, an efficient, linearized and decoupled numerical method is proposed for the model as well. The proposed numerical method can preserve the thermodynamical consistency, i.e. obeying an energy dissipation law at the discrete level, as well as guarantee the mass conservation law for the solutes and solvent fluids. Numerical experiments are carried out to show that the proposed model and numerical method can simulate various processes of the solute active diffusion in two-phase solvent fluids. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Fluid Mechanics is the property of Cambridge University Press and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Thermodynamically consistent phase-field modelling of activated solute transport in binary solvent fluids.
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  Data: <searchLink fieldCode="AR" term="%22Kou%2C+Jisheng%22">Kou, Jisheng</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> jishengkou@163.com</i><br /><searchLink fieldCode="AR" term="%22Salama%2C+Amgad%22">Salama, Amgad</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Xiuhua%22">Wang, Xiuhua</searchLink><relatesTo>2</relatesTo> (AUTHOR)<i> jishengkou@163.com</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Fluid+Mechanics%22">Journal of Fluid Mechanics</searchLink>. 1/13/2023, Vol. 955, p1-47. 47p.
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  Data: <searchLink fieldCode="DE" term="%22Solubility%22">Solubility</searchLink><br /><searchLink fieldCode="DE" term="%22Second+law+of+thermodynamics%22">Second law of thermodynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Solvents%22">Solvents</searchLink><br /><searchLink fieldCode="DE" term="%22Fluids%22">Fluids</searchLink><br /><searchLink fieldCode="DE" term="%22Two-phase+flow%22">Two-phase flow</searchLink><br /><searchLink fieldCode="DE" term="%22Conservation+of+mass%22">Conservation of mass</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Active diffusion of substances in binary immiscible and incompressible fluids with different densities occurs universally in nature and industry, but relevant mathematical models and numerical simulation have been studied scarcely so far. In this paper, a thermodynamically consistent phase-field model is established to describe the activated solute transport in binary fluids with different densities. A mixed free-energy function for multiple solutes is proposed, which leads to different solute chemical potentials in binary solvent fluids, thus it has the ability to characterize the solubility difference of the solutes in two solvents. The two-phase flow is governed by a general hydrodynamic phase-field model that can account for general average velocity and different densities. The proposed model is derived rigorously using the second law of thermodynamics. Moreover, a general multi-component solute diffusion model is established using the Maxwell–Stefan approach, which involves the crossing influences between different solutes. To solve the model effectively, an efficient, linearized and decoupled numerical method is proposed for the model as well. The proposed numerical method can preserve the thermodynamical consistency, i.e. obeying an energy dissipation law at the discrete level, as well as guarantee the mass conservation law for the solutes and solvent fluids. Numerical experiments are carried out to show that the proposed model and numerical method can simulate various processes of the solute active diffusion in two-phase solvent fluids. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Fluid Mechanics is the property of Cambridge University Press and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1017/jfm.2023.8
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      – Code: eng
        Text: English
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        PageCount: 47
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      – SubjectFull: Solubility
        Type: general
      – SubjectFull: Second law of thermodynamics
        Type: general
      – SubjectFull: Solvents
        Type: general
      – SubjectFull: Fluids
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      – SubjectFull: Two-phase flow
        Type: general
      – SubjectFull: Conservation of mass
        Type: general
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      – TitleFull: Thermodynamically consistent phase-field modelling of activated solute transport in binary solvent fluids.
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            NameFull: Kou, Jisheng
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            NameFull: Salama, Amgad
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            NameFull: Wang, Xiuhua
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            – D: 13
              M: 01
              Text: 1/13/2023
              Type: published
              Y: 2023
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              Value: 955
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