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Computational Requirements for Modeling Thermal Conduction in Polymeric Phase-Change Materials: Periodic Hard Spheres

Kevin A Redosado Leon1, Alexey Lyulin2,3, Bernard J Geurts1,2

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Summary

Accurate heat transfer modeling requires at least eight grid cells per sphere diameter in simulations of paraffin phase-change materials. This ensures reliable thermal conductivity predictions even with under-resolved gaps.

Keywords:
OpenFOAMconjugate heat transfereffective thermal conductivityhigh-fidelity simulationperiodic systemsresolution requirements

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Area of Science:

  • Computational physics
  • Materials science
  • Heat transfer

Background:

  • Paraffin-based polymeric phase-change materials are promising for thermal energy storage.
  • Accurate modeling of heat transfer in heterogeneous media is crucial for material design.
  • Numerical simulation requirements for phase-change material thermal conductivity prediction are not well-established.

Purpose of the Study:

  • To determine the numerical resolution requirements for accurate heat transfer modeling in heterogeneous media.
  • To investigate the impact of grid resolution on thermal conductivity predictions.
  • To analyze the effective thermal conductivity of paraffin sphere configurations.

Main Methods:

  • Developed a simulation platform using OpenFOAM for heat transfer analysis.
  • Systematically inferred resolution requirements by varying grid density.
  • Simulated unit cells with single and double sphere configurations.
  • Analyzed asymptotic convergence rates to confirm numerical accuracy.

Main Results:

  • Second-order accuracy in thermal conductivity prediction is achieved with at least eight grid cells per sphere diameter.
  • Under-resolving small gaps between spheres does not significantly impact temperature field accuracy.
  • High-fidelity simulations of touching or overlapping spheres are feasible with realistic computational costs.
  • Effective thermal conductivity depends on paraffin volume fraction and sphere spacing.

Conclusions:

  • Established clear numerical resolution guidelines for accurate heat transfer simulations of paraffin phase-change materials.
  • Demonstrated that robust thermal conductivity predictions are achievable even with simplified gap resolutions.
  • Provided insights into the effective thermal conductivity behavior of heterogeneous paraffin systems.