Journal
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
Volume 136, Issue -, Pages -Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.icheatmasstransfer.2022.106219
Keywords
Graphite nanoparticle; Molecular dynamics; Shape-stabilized phase change materials; Thermal conductivity
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Funding
- Isfahan University of Technology (IUT) - Iran Nanotechnology Innovation Council [1-5548]
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In this study, thermophysical analysis of various nanocomposites was conducted using Molecular Dynamics simulations. The results showed that introducing graphite with nanostructure and low oxygen-containing functional groups can improve thermal conductivity. This finding is significant for the future development of high thermal conductivity phase change materials.
In this study, Molecular Dynamics (MD) simulations were conducted for a thermophysical analysis of polyethylene glycol (PEG)/graphite (G), PEG/expanded graphite (EG), PEG/graphite oxide nanoparticle (GONP), and PEG/reduced GONP (rGONP) nanocomposites as shape stabilized phase change materials (SSPCMs). Specifically, thorough information regarding the PEG penetration in diverse graphite atomic structures and thermal conductivity (TC) under varied temperatures was investigated. The results of equilibrium MD simulations showed that PEG atoms penetration was increased at first and then remained constant with step time. Further, non equilibrium MD simulations revealed that the thermal conduction could be improved by introducing graphite whit nanostructure and a low amount of oxygen-containing functional groups (relative to rGONP). So that the TC measured for PEG/rGONP is about 18% higher than that of PEG/GONP. We expect MD outcomes of this research could benefit the future development of SSPCMs with high TC.
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