摘要
多级孔碳(Hierarchical porous carbon,HPC)具有大的比表面积(1345 m^(2)/g)和高的孔体积(2.69 cm^(3)/g),对聚乙二醇(Polyethylene glycol,PEG)的负载量高达92.5%(wt),复合材料展现出优异的储能特性,因此采用分子动力学模拟的方法对其开展机理研究。复合后PEG@HPC熔点为324.5 K,相互作用能和径向分布函数结果表明,孔径越小,基材对芯材的作用力越强,有利于防止芯材的泄漏,保持复合材料的结构稳定性。振动态密度和重叠能表明,复合后声子振动匹配增强,有益于能量的传递和材料热导率的提升。
Hierarchical porous carbon(HPC)has a large specific surface area(1345 m~2/g)and a high pore volume(2.69 cm~3/g).The loading capacity of polyethylene glycol(PEG)is up to 92.5%(wt).Composite materials exhibit excellent energy storage characteristics,so we use molecular dynamics simulation methods to carry out mechanism research.After compounding,the melting point of PEG@HPC is 324.5 K.The results of the interaction energy and radial distribution function show that the smaller the pore size,the stronger the force of the substrate on the core material,which is beneficial to prevent the leakage of the core material and maintain the structural stability of the composites.Vibration dynamic density and overlap energy indicate that the phonon vibration matching is enhanced after compounding,which is beneficial to energy transfer and improvement of thermal conductivity.
作者
臧煜阳
冯黛丽
冯妍卉
张欣欣
ZANG Yu-Yang;FENG Dai-Li;FENG Yan-Hui;ZHANG Xin-Xin(School of Energy and Environmental Engineering,University of Science and Technology Beijing,Beijing 100083,China;MCC South(Wuhan)Thermal Engineering Co,Ltd,Wuhan 430223,China;Beijing Key Laboratory of Energy Saving and Emission Reduction for Metallurgical Industry,University of Science and Technology Beijing,Beijing 100083,China)
出处
《工程热物理学报》
EI
CAS
CSCD
北大核心
2021年第6期1526-1530,共5页
Journal of Engineering Thermophysics
基金
国家重点研发计划(No.2018YFA0702300)
国家自然科学基金(No.51876007)
北京市自然科学基金(No.3192022)。
关键词
多级孔碳
聚乙二醇
定形相变材料
分子动力学
热特性
hierarchical porous carbon
polyethylene glycol
shape-stabilized phase change material
molecular dynamics
thermal properties
