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Exploring the Molecular Distributions in Dilute Polymer Solutions Using a Multi-Scale Numerical Solver

Simulating the rheological behaviors of polymer solutions is intrinsically a multi-scale problem. To study the macroscopic and microscopic characteristics in the fluid flow of dilute polymer solutions, we designed a multi-scale solver, which couples the Brownian Configuration Fields with the macrosc...

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Detalles Bibliográficos
Autores principales: Liu, Yi, Yang, Canqun, Wu, Cheng-Kun, Zhang, Xiang, Zhang, Xin, Guo, Xiao-Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6415244/
https://www.ncbi.nlm.nih.gov/pubmed/30966421
http://dx.doi.org/10.3390/polym10040387
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author Liu, Yi
Yang, Canqun
Wu, Cheng-Kun
Zhang, Xiang
Zhang, Xin
Guo, Xiao-Wei
author_facet Liu, Yi
Yang, Canqun
Wu, Cheng-Kun
Zhang, Xiang
Zhang, Xin
Guo, Xiao-Wei
author_sort Liu, Yi
collection PubMed
description Simulating the rheological behaviors of polymer solutions is intrinsically a multi-scale problem. To study the macroscopic and microscopic characteristics in the fluid flow of dilute polymer solutions, we designed a multi-scale solver, which couples the Brownian Configuration Fields with the macroscopic hydrodynamic governing equations. Numerical simulation results using the multi-scale solver exhibited good accordance with the macroscopic only approach. Through a scalar field D we also quantitatively studied the flow behaviours in 2D planar channels, and analyzed the correlation between the molecular distribution and the macroscopic fluid flow in polymer solutions. Our results verified the correctness of the solver, which could provide valuable guidance for multi-scale simulations of complex fluids based on OpenFOAM.
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spelling pubmed-64152442019-04-02 Exploring the Molecular Distributions in Dilute Polymer Solutions Using a Multi-Scale Numerical Solver Liu, Yi Yang, Canqun Wu, Cheng-Kun Zhang, Xiang Zhang, Xin Guo, Xiao-Wei Polymers (Basel) Article Simulating the rheological behaviors of polymer solutions is intrinsically a multi-scale problem. To study the macroscopic and microscopic characteristics in the fluid flow of dilute polymer solutions, we designed a multi-scale solver, which couples the Brownian Configuration Fields with the macroscopic hydrodynamic governing equations. Numerical simulation results using the multi-scale solver exhibited good accordance with the macroscopic only approach. Through a scalar field D we also quantitatively studied the flow behaviours in 2D planar channels, and analyzed the correlation between the molecular distribution and the macroscopic fluid flow in polymer solutions. Our results verified the correctness of the solver, which could provide valuable guidance for multi-scale simulations of complex fluids based on OpenFOAM. MDPI 2018-04-01 /pmc/articles/PMC6415244/ /pubmed/30966421 http://dx.doi.org/10.3390/polym10040387 Text en © 2018 by the authors. 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 (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Liu, Yi
Yang, Canqun
Wu, Cheng-Kun
Zhang, Xiang
Zhang, Xin
Guo, Xiao-Wei
Exploring the Molecular Distributions in Dilute Polymer Solutions Using a Multi-Scale Numerical Solver
title Exploring the Molecular Distributions in Dilute Polymer Solutions Using a Multi-Scale Numerical Solver
title_full Exploring the Molecular Distributions in Dilute Polymer Solutions Using a Multi-Scale Numerical Solver
title_fullStr Exploring the Molecular Distributions in Dilute Polymer Solutions Using a Multi-Scale Numerical Solver
title_full_unstemmed Exploring the Molecular Distributions in Dilute Polymer Solutions Using a Multi-Scale Numerical Solver
title_short Exploring the Molecular Distributions in Dilute Polymer Solutions Using a Multi-Scale Numerical Solver
title_sort exploring the molecular distributions in dilute polymer solutions using a multi-scale numerical solver
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6415244/
https://www.ncbi.nlm.nih.gov/pubmed/30966421
http://dx.doi.org/10.3390/polym10040387
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