基于界面分子动力学的双壳微纳胶囊热湿传递模拟

为了进一步研究双壳微纳相变胶囊掺入建筑石膏中对多孔材料热湿传递的影响,提出了含有相变胶囊的多孔墙体热湿耦合模型.考虑相变微纳胶囊发生相变过程由表及里的特征,利用界面分子动力学中的对势和多体势,给出了胶囊界面模型的热性能参数的计算方法,同时考虑到双壳微纳胶囊外壳亲水性质及石膏孔隙对水分的吸附/解吸的热湿耦合作用,提出了胶囊界面湿参数的模型,对掺与不掺相变微胶囊模型进行了实测模拟,并应用计算机软件对方程进行了求解.结果表明:该模型可用于模拟含有相变胶囊墙体材料的热湿传递过程.

Simulation Study of Thermal and Moisture Transfer of Double-Shell Micro-Nano Capsules Based on Interface Molecular Dynamics

Abstract： To further study the effect of building gypsum added with double shell micro nanocapsules with phase changing materials on heat and moisture transfer in porous walls, a model of the coupled heat and moisture in porous material with phase changing micro nanocapsules was proposed. The thermal parameters of capsule interface were given by using pair potential and multi body potential of interface molecular dynamics, and by taking into account the feature of phase changing micro nancapsules from the outside to the inside in phase transition. Meanwhile, the hydrophilic nature of outside shell and the effect of gypsum porporsit on the coupled heat and moisture by water adsorbed/desorbed were considered, and the moisture parameter model of capsule interface was proposed. And computer software was utilized to solve the equation of the added or non added material to deal with the simulation and measured data. The results show that the model can be used to simulate the heat and moisture transfer process in porous wall with phase change capsules. Key words：