The addition of porous nanomaterials is promising to enhance the thermal energy property of the organic working fluid. In this paper, molecular dynamics (MD) and grand canonical Monte Carlo simulations are employed to investigate the adsorption and energy storage properties of R32, R134a and R1234yf in MOF-5 and MOF-177. The results showed that the working fluid with small molecular size is easier to absorb and desorb in MOF structure. Besides, the MOF with larger specific surface area and pore size can absorb more organic working fluids, which can result in the larger enhancement of energy storage.

中文翻译：

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MOF-5和MOF-177中R32、R134A和R1234YF储能特性的分子模拟

添加多孔纳米材料有望增强有机工作流体的热能特性。在本文中，分子动力学 (MD) 和大规范蒙特卡罗模拟用于研究 R32、R134a 和 R1234yf 在 MOF-5 和 MOF-177 中的吸附和储能特性。结果表明，分子尺寸小的工作流体在MOF结构中更容易吸附和解吸。此外，具有较大比表面积和孔径的MOF可以吸收更多的有机工质，从而可以带来更大的储能增强。