摘要
本文以离子液体超级电容器为研究对象,利用分子动力学模拟,构建了电极-电解质固液界面的分子传热模型,探究了石墨烯-离子液体界面热导的影响因素.结果表明,当电极带电后,在电极附近会形成稳定的双电层结构,这种结构改变增加了界面处的分子体积占比,从而提高了界面传热.在负极侧,额外的吸附峰使其传热比正极处要强.相对于光滑表面电极,粗糙表面电极的界面热导反而更低,这是因为粗糙表面上参与有效传热的碳原子更少,减小了实际接触面积,从而减弱了界面传热.
In this article, molecular dynamics simulations were performed to investigate the heat transfer through the electrode-electrolyte interfaces of supercapacitors based on ionic liquids. The factors of thermal conductivity of interfaces between the graphene electrode and ionic liquids were analyzed. Simulation results show that when the electrode is charged, stable electrical double layers form at the electrode, and the change of EDL structure increases the molecular volume ratio, thus improving the interfacial heat transfer. At the negatively charged electrode, the extra adsorption peak makes the heat transfer stronger than that at the positively charged electrode. The interfacial thermal conductivity of the double layer at electrodes with the nanoscale roughness is lower than that of the smooth one. This is because there are fewer carbon atoms involved in heat transfer at the rough surface, which reduces the contacting area and thus weakens the heat transfer at the interface.
作者
汤小杨
曾良
曾子雅
冯光
Xiaoyang Tang;Liang Zeng;Ziya Zeng;Guang Feng(School of Energy and Power Engineering,Huazhong University of Science and Technology,Wuhan 430074,China;School of Mechanical and Power Engineering,Shanghai Jiaotong University,Shanghai 200240,China)
出处
《中国科学：化学》
CAS
CSCD
北大核心
2021年第10期1442-1449,共8页
SCIENTIA SINICA Chimica
基金
湖北省自然科学基金(编号:2020CFA093)资助项目。
关键词
分子动力学模拟
超级电容器
离子液体
双电层结构
固液界面传热
molecular dynamics simulation
supercapacitor
ionic liquids
electrical double layer structure
heat transfer through solid-liquid interface
