金属有机热载纳米流体的储能机理研究

Metal-organic heat carrier nanofluids (MOHCs) has a great potential in the field of low-grade energy utilization because of its advantages, such as its unique thermal energy storage mechanism, fine thermostability and so on. However, the researches of the energy storage mechanism of MOHCs are still in its preliminary stage currently. The characteristics of fluid in the nanochannels, the parameters of materials and the ambient temperature have effects on energy storage, which need systematic study in the future. And the model used to predict and optimize the properties of MOHCs is to be established. This project starts from atomic level to macroscopic level and employs several multi-scale coupling simulations and experiments, including ab initio calculation, molecular simulation, and atomistic-continuum coupling method, and computational fluid mechanics and so on. This project aims to investigate the energy storage mechanism of MOHCs by investigating the transformation mechanism between thermal energy and interface energy in MOHCs, clarifying the energy transmission mechanism in MOHCs, and establishing and optimizing multi-scale model of MOHCs. Ultimately, this project can be used to provide guidance for the applications of MOHCs in the field of low-grade energy utilization.

金属有机热载纳米流体具有独特的热能储集机制以及良好的热稳定性等优点，使其在低品位能源利用中具有巨大的潜力。但是对于金属有机热载纳米流体的储能机理研究，目前还处于起步阶段，纳米通道内流体的基本性质，材料参数以及环境温度对热能储集的影响还需系统地研究。用于预测和优化金属有机热载纳米流体性能的模型还有待开发。本项目将从原子尺度出发，采用实验手段和多尺度耦合模拟方法，其中包括从头计算法、分子模拟、原子-连续耦合方法、计算流体力学等多种计算方法。研究金属有机热载纳米流体的储能机理，明确金属有机热载纳米流体中热能与界面能的相互转化机制，探究金属有机热载纳米流体中能量传递机理，建立和优化金属有机热载纳米流体多尺度计算模型，为金属有机热载纳米流体在低品位能源中的利用提供指导。

金属有机热载纳米流体利用流体工质在纳米多孔材料流固界面吸附分离过程中热能与表面能的相互转化，可以实现能量的储集和输出，在低品位能源利用中具有巨大的潜力。围绕金属有机热载纳米流体储能机理研究中流固界面能量转化机制、工质材料参数以及热力参数对能量储集影响机制、性能优化等关键科学问题，本项目在基础工质气液相变特性；流-固材料结构优化；流固界面能量转化；纳米流体相变热物性；金属有机热载纳米流体储能特性等方面开展了以分子模拟为主，理论和实验相结合的研究工作。完善了工质在热-力-电多场作用下的相变机理，阐明了流-固材料结构、组分对工质在多孔介质中热能与表面能转化的影响机制，揭示了多孔介质纳米流体储能模型中各组分对金属有机热载纳米流体储能特性的协同作用机制。研究结果为优化设计高效金属有机热载纳米流体提供依据，可直接应用于低品位能源利用。此外，项目关于流固界面能量转化研究，可为混合工质吸附分离、吸附式制冷热泵等领域提供指导。