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Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics
We present a constructive paradigm to derive thermodynamically consistent models coupling the bulk and surface dynamics hierarchically following the generalized Onsager principle. In the model, the bulk and surface thermodynamical variables are allowed to be different and the free energy of the mode...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9689322/ https://www.ncbi.nlm.nih.gov/pubmed/36421538 http://dx.doi.org/10.3390/e24111683 |
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author | Jing, Xiaobo Wang, Qi |
author_facet | Jing, Xiaobo Wang, Qi |
author_sort | Jing, Xiaobo |
collection | PubMed |
description | We present a constructive paradigm to derive thermodynamically consistent models coupling the bulk and surface dynamics hierarchically following the generalized Onsager principle. In the model, the bulk and surface thermodynamical variables are allowed to be different and the free energy of the model comprises the bulk, surface, and coupling energy, which can be weakly or strongly non-local. We illustrate the paradigm using a phase field model for binary materials and show that the model includes the existing thermodynamically consistent ones for the binary material system in the literature as special cases. In addition, we present a set of such phase field models for a few selected mobility operators and free energies to show how boundary dynamics impart changes to bulk dynamics and vice verse. As an example, we show numerically how reactive transport on the boundary impacts the dynamics in the bulk using a reactive transport model for binary reactive fluids by adopting a structure-preserving algorithm to solve the model equations in a rectangular domain. |
format | Online Article Text |
id | pubmed-9689322 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-96893222022-11-25 Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics Jing, Xiaobo Wang, Qi Entropy (Basel) Article We present a constructive paradigm to derive thermodynamically consistent models coupling the bulk and surface dynamics hierarchically following the generalized Onsager principle. In the model, the bulk and surface thermodynamical variables are allowed to be different and the free energy of the model comprises the bulk, surface, and coupling energy, which can be weakly or strongly non-local. We illustrate the paradigm using a phase field model for binary materials and show that the model includes the existing thermodynamically consistent ones for the binary material system in the literature as special cases. In addition, we present a set of such phase field models for a few selected mobility operators and free energies to show how boundary dynamics impart changes to bulk dynamics and vice verse. As an example, we show numerically how reactive transport on the boundary impacts the dynamics in the bulk using a reactive transport model for binary reactive fluids by adopting a structure-preserving algorithm to solve the model equations in a rectangular domain. MDPI 2022-11-17 /pmc/articles/PMC9689322/ /pubmed/36421538 http://dx.doi.org/10.3390/e24111683 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Jing, Xiaobo Wang, Qi Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics |
title | Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics |
title_full | Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics |
title_fullStr | Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics |
title_full_unstemmed | Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics |
title_short | Thermodynamically Consistent Models for Coupled Bulk and Surface Dynamics |
title_sort | thermodynamically consistent models for coupled bulk and surface dynamics |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9689322/ https://www.ncbi.nlm.nih.gov/pubmed/36421538 http://dx.doi.org/10.3390/e24111683 |
work_keys_str_mv | AT jingxiaobo thermodynamicallyconsistentmodelsforcoupledbulkandsurfacedynamics AT wangqi thermodynamicallyconsistentmodelsforcoupledbulkandsurfacedynamics |