화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Journal of Industrial and Engineering Chemistry, Vol.99, 256-263, July, 2021
DOI10.1016/j.jiec.2021.04.039  Export Citation
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 Wei1, Xing Liu2, Mingzhi Guo, Kailun Xia, and Lei Chen
  • College of Mechanics and Materials, Hohai University, Nanjing 210098, China
  • 1Department of Civil Engineering and Engineering Mechanics, Columbia University, New York 10027, USA
  • 2School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072, China
E-mail:
In this paper, a new series of phase change materials (PCMs) composed of capric acid/ethylene-vinyl acetate/graphene (CA/EVA/GR) were prepared and thermal properties were investigated using molecular dynamics simulation. The composite PCMs were characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), scanning electron microscopy (SEM), differential scanning calorimetry (DSC) and thermal conductivity measurement. FT-IR, XRD and SEM results manifest that CA can be successfully wrapped by EVA and GR additives, and there is no chemical reaction between CA, EVA and GR. DSC results indicate that adding GR into CA/EVA can result in composite PCMs maintain the high latent heat, while too much GR will cause a significant reduction in latent heat. Thermal conductivity obtained 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 of molecular dynamics (MD) simulation at GR dosages below 1.8 wt%, but the experimental results present a trend 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, while higher GR dosage will reduce the diffusion coefficient gradually.
Keywords:Composite phase change material;Ethylene-vinyl acetate;Molecular dynamic simulation;Thermal properties
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