Thermodynamically consistent phase-field modeling for mass transport with interfacial reaction

Zhaoyang Wang; Huaxiong Huang; Ping Lin; Shixin Xu

doi:10.1063/5.0341739

Thermodynamically consistent phase-field modeling for mass transport with interfacial reaction

Zhaoyang Wang
, Huaxiong Huang (Lead / Corresponding author)
, Ping Lin
, Shixin Xu

Mathematics

Research output: Contribution to journal › Article › peer-review

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Abstract

A thermodynamically consistent phase-field model is proposed to describe the mass transport and reaction processes of multiple species in a two-phase flow. A key feature of this model is that the nonlinear reactions between different species occur only at the interface, and the reaction products accumulated on the interface subsequently modify the local interfacial tension. For the governing equations derived based on the energy variation method, we propose a structure-preserving numerical scheme that satisfies molar quantity conservation and energy dissipation laws at the discrete level. A series of numerical experiments is conducted to validate the effectiveness of the model as well as the accuracy and stability of the scheme. In particular, we simulate microvessels with bifurcated geometries to demonstrate the potential risk of microaneurysm formation.

Original language	English
Article number	073339
Journal	Physics of Fluids
Volume	38
Issue number	7
DOIs	https://doi.org/10.1063/5.0341739
Publication status	Published - 15 Jul 2026

ASJC Scopus subject areas

Computational Mechanics
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Fluid Flow and Transfer Processes

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10.1063/5.0341739

Author Accepted ManuscriptAccepted author manuscript, 3.8 MB

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abstract = "A thermodynamically consistent phase-field model is proposed to describe the mass transport and reaction processes of multiple species in a two-phase flow. A key feature of this model is that the nonlinear reactions between different species occur only at the interface, and the reaction products accumulated on the interface subsequently modify the local interfacial tension. For the governing equations derived based on the energy variation method, we propose a structure-preserving numerical scheme that satisfies molar quantity conservation and energy dissipation laws at the discrete level. A series of numerical experiments is conducted to validate the effectiveness of the model as well as the accuracy and stability of the scheme. In particular, we simulate microvessels with bifurcated geometries to demonstrate the potential risk of microaneurysm formation.",

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AU - Wang, Zhaoyang

AU - Huang, Huaxiong

AU - Lin, Ping

AU - Xu, Shixin

PY - 2026/7/15

Y1 - 2026/7/15

N2 - A thermodynamically consistent phase-field model is proposed to describe the mass transport and reaction processes of multiple species in a two-phase flow. A key feature of this model is that the nonlinear reactions between different species occur only at the interface, and the reaction products accumulated on the interface subsequently modify the local interfacial tension. For the governing equations derived based on the energy variation method, we propose a structure-preserving numerical scheme that satisfies molar quantity conservation and energy dissipation laws at the discrete level. A series of numerical experiments is conducted to validate the effectiveness of the model as well as the accuracy and stability of the scheme. In particular, we simulate microvessels with bifurcated geometries to demonstrate the potential risk of microaneurysm formation.

AB - A thermodynamically consistent phase-field model is proposed to describe the mass transport and reaction processes of multiple species in a two-phase flow. A key feature of this model is that the nonlinear reactions between different species occur only at the interface, and the reaction products accumulated on the interface subsequently modify the local interfacial tension. For the governing equations derived based on the energy variation method, we propose a structure-preserving numerical scheme that satisfies molar quantity conservation and energy dissipation laws at the discrete level. A series of numerical experiments is conducted to validate the effectiveness of the model as well as the accuracy and stability of the scheme. In particular, we simulate microvessels with bifurcated geometries to demonstrate the potential risk of microaneurysm formation.

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JO - Physics of Fluids

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Thermodynamically consistent phase-field modeling for mass transport with interfacial reaction

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