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        Experimental research and molecular dynamics simulation on thermal properties of capric acid/ethylene-vinyl/graphene composite phase change materials

        Yue Gu,Linhua Jiang,Weizhun Jin,Zhenhua Wei,Xing Liu,Mingzhi Guo,Kailun Xia,Lei Chen 한국공업화학회 2021 Journal of Industrial and Engineering Chemistry Vol.99 No.-

        In this paper, a new series of phase change materials (PCMs) composed of capric acid/ethylene-vinylacetate/graphene (CA/EVA/GR) were prepared and thermal properties were investigated using moleculardynamics simulation. The composite PCMs were characterized by Fourier transform infraredspectroscopy (FT-IR), X-ray diffraction (XRD), scanning electron microscopy (SEM), differential scanningcalorimetry (DSC) and thermal conductivity measurement. FT-IR, XRD and SEM results manifest that CAcan be successfully wrapped by EVA and GR additives, and there is no chemical reaction between CA, EVAand GR. DSC results indicate that adding GR into CA/EVA can result in composite PCMs maintain the highlatent heat, while too much GR will cause a significant reduction in latent heat. Thermal conductivityobtained from experimental tests reveal that GR can gradually enhance the thermal conductivity of CA/EVA with increasing dosage of GR. The experimental results of thermal conductivity fall close to that ofmolecular dynamics (MD) simulation at GR dosages below 1.8 wt%, but the experimental results present atrend which is contrary to MD simulation at higher GR dosages. The mean square displacement (MSD)results manifest that composite PCMs containing 1.8 wt% GR has the highest diffusion coefficient, whilehigher GR dosage will reduce the diffusion coefficient gradually.

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