Computational Requirements for Modeling Thermal Conduction in Polymeric Phase-Change Materials: Periodic Hard Spheres Case
This research focuses on modeling heat transfer in heterogeneous media composed of stacked spheres of paraffin as a perspective polymeric phase-change material. The main goal is to study the requirements of the numerical scheme to correctly predict the thermal conductivity in a periodic system compo...
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| Format: | Article |
| Language: | English |
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MDPI AG
2024-04-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/16/7/1015 |
| _version_ | 1797211986945114112 |
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| author | Kevin A. Redosado Leon Alexey Lyulin Bernard J. Geurts |
| author_facet | Kevin A. Redosado Leon Alexey Lyulin Bernard J. Geurts |
| author_sort | Kevin A. Redosado Leon |
| collection | DOAJ |
| description | This research focuses on modeling heat transfer in heterogeneous media composed of stacked spheres of paraffin as a perspective polymeric phase-change material. The main goal is to study the requirements of the numerical scheme to correctly predict the thermal conductivity in a periodic system composed of an indefinitely repeated configuration of spherical particles subjected to a temperature gradient. Based on OpenFOAM, a simulation platform is created with which the resolution requirements for accurate heat transfer predictions were inferred systematically. The approach is illustrated for unit cells containing either a single sphere or a configuration of two spheres. Asymptotic convergence rates confirming the second-order accuracy of the method are established in case the grid is fine enough to have eight or more grid cells covering the distance of the diameter of a sphere. Configurations with two spheres can be created in which small gaps remain between these spheres. It was found that even the under-resolution of these small gaps does not yield inaccurate numerical solutions for the temperature field in the domain, as long as one adheres to using eight or more grid cells per sphere diameter. Overlapping and (barely) touching spheres in a configuration can be simulated with high fidelity and realistic computing costs. This study further extends to examine the effective thermal conductivity of the unit cell, particularly focusing on the volume fraction of paraffin in cases with unit cells containing a single sphere. Finally, we explore the dependence of the effective thermal conductivity for unit cells containing two spheres at different distances between them. |
| first_indexed | 2024-04-24T10:35:13Z |
| format | Article |
| id | doaj.art-069f592468f741d49c8001920c418e22 |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-04-24T10:35:13Z |
| publishDate | 2024-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-069f592468f741d49c8001920c418e222024-04-12T13:25:20ZengMDPI AGPolymers2073-43602024-04-01167101510.3390/polym16071015Computational Requirements for Modeling Thermal Conduction in Polymeric Phase-Change Materials: Periodic Hard Spheres CaseKevin A. Redosado Leon0Alexey Lyulin1Bernard J. Geurts2Mathematics of Multiscale Modeling and Simulation, Faculty EEMCS, University of Twente, P.O. Box 217, 7500 AE Enschede, The NetherlandsGroup Soft Matter and Biological Physics, Department of Applied Physics and Science Education, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The NetherlandsMathematics of Multiscale Modeling and Simulation, Faculty EEMCS, University of Twente, P.O. Box 217, 7500 AE Enschede, The NetherlandsThis research focuses on modeling heat transfer in heterogeneous media composed of stacked spheres of paraffin as a perspective polymeric phase-change material. The main goal is to study the requirements of the numerical scheme to correctly predict the thermal conductivity in a periodic system composed of an indefinitely repeated configuration of spherical particles subjected to a temperature gradient. Based on OpenFOAM, a simulation platform is created with which the resolution requirements for accurate heat transfer predictions were inferred systematically. The approach is illustrated for unit cells containing either a single sphere or a configuration of two spheres. Asymptotic convergence rates confirming the second-order accuracy of the method are established in case the grid is fine enough to have eight or more grid cells covering the distance of the diameter of a sphere. Configurations with two spheres can be created in which small gaps remain between these spheres. It was found that even the under-resolution of these small gaps does not yield inaccurate numerical solutions for the temperature field in the domain, as long as one adheres to using eight or more grid cells per sphere diameter. Overlapping and (barely) touching spheres in a configuration can be simulated with high fidelity and realistic computing costs. This study further extends to examine the effective thermal conductivity of the unit cell, particularly focusing on the volume fraction of paraffin in cases with unit cells containing a single sphere. Finally, we explore the dependence of the effective thermal conductivity for unit cells containing two spheres at different distances between them.https://www.mdpi.com/2073-4360/16/7/1015conjugate heat transferhigh-fidelity simulationeffective thermal conductivityOpenFOAMresolution requirementsperiodic systems |
| spellingShingle | Kevin A. Redosado Leon Alexey Lyulin Bernard J. Geurts Computational Requirements for Modeling Thermal Conduction in Polymeric Phase-Change Materials: Periodic Hard Spheres Case Polymers conjugate heat transfer high-fidelity simulation effective thermal conductivity OpenFOAM resolution requirements periodic systems |
| title | Computational Requirements for Modeling Thermal Conduction in Polymeric Phase-Change Materials: Periodic Hard Spheres Case |
| title_full | Computational Requirements for Modeling Thermal Conduction in Polymeric Phase-Change Materials: Periodic Hard Spheres Case |
| title_fullStr | Computational Requirements for Modeling Thermal Conduction in Polymeric Phase-Change Materials: Periodic Hard Spheres Case |
| title_full_unstemmed | Computational Requirements for Modeling Thermal Conduction in Polymeric Phase-Change Materials: Periodic Hard Spheres Case |
| title_short | Computational Requirements for Modeling Thermal Conduction in Polymeric Phase-Change Materials: Periodic Hard Spheres Case |
| title_sort | computational requirements for modeling thermal conduction in polymeric phase change materials periodic hard spheres case |
| topic | conjugate heat transfer high-fidelity simulation effective thermal conductivity OpenFOAM resolution requirements periodic systems |
| url | https://www.mdpi.com/2073-4360/16/7/1015 |
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