MgCl_(2)·6H_(2)O吸附储热材料储热微观机理及性能研究  

Microcosmic mechanism and properties of MgCl_(2)·6H_(2)O as adsorption heat storage material

作　　者：霍英杰 闫霆 周宇翔 潘卫国 HUO Yingjie;YAN Ting;ZHOU Yuxiang;PAN Weiguo(College of Energy and Mechanical Engineering,Shanghai University of Electric Power,Shanghai 201306,China)

机构地区：[1]上海电力大学能源与机械工程学院,上海201306

出　　处：《功能材料》2023年第4期4132-4140,4195,共10页Journal of Functional Materials

基　　金：上海市科委科技攻关项目(21DZ1207203)。

摘　　要：在实现跨季节热量储存技术中,以水合盐作为储热材料的热化学吸附储热技术因其具有高储热密度、低能量损失以及可长期热储存几乎无热损失的优势,聚集了大批学者的目光,占据储热技术的关键地位。采用MgCl_(2)·6H_(2)O作为化学吸附材料,通过分子动力学模拟计算其热导率、质量扩散系数和吸附能的变化,在分子层面上探究整个系统储热过程中的微观作用形式。研究结果表明,随着温度的升高,MgCl_(2)·6H_(2)O的晶体密度呈现下降趋势。建立了热导率分子模型,计算得到体系的热导率在0.95 W/(m·K)左右。各粒子的扩散系数随着温度的升高而上升,其中H2O扩散系数最大,吸附能力随着粒子距离的增大而降低。Among the technologies for realizing inter-seasonal heat storage,the thermochemical adsorption heat storage technology using hydrated salts as heat storage materials has gathered the attention of a large number of scholars and occupied a key position in heat storage technology because of its advantages of high heat storage density,low energy loss and almost no heat loss for long-term heat storage.MgCl_(2)·6H_(2)O is used as a chemisorption material.The changes in thermal conductivity,mass diffusion coefficient,and adsorption energy are calculated by molecular dynamics simulation to investigate the microscopic forms of action in the whole system thermal storage process at the molecular level.The results show that the crystal density of MgCl_(2)·6H_(2)O takes on a tendency to decrease with the increase in temperature.A molecular model of thermal conductivity was established,and the thermal conductivity of the system was calculated to be around 0.95 W/(m·K).The diffusion coefficient of each particle is proportional to the temperature,with H 2O having the largest diffusion coefficient,while the adsorption capacity is inversely proportional to the particle spacing.

关 键 词：吸附储热 MgCl_(2)·6H_(2)O 微尺度模拟 分子动力学 热导率 质量扩散系数 

分 类 号：TK124[动力工程及工程热物理—工程热物理]