The Ca(OH)2/CaO system is a promising candidate for thermochemical energy storage because of its high energy density, low cost and negligible heat loss. Coupling mechanisms of multiple physiochemical processes still need further investigation and the system performance should be further improved. In this work, for the first time, a three-dimensional numerical model is developed to study the thermochemical energy storage process by Ca(OH)2 dehydration reaction in a shell-tube reactor. The turbulent heat transfer fluid flow in the shell side, and the steam flow, heat transfer and dehydration reaction in the tube side are comprehensively taken into account. Effects of operation conditions and reactor geometry parameters on the dehydration process are also investigated in detail. Five indicators are proposed to comprehensively evaluate the reactor performance, including reaction time, energy storage density, heat exchange power, heat exchange efficiency and energy storage efficiency. The results reveal that higher inlet temperature and inlet velocity of heat transfer fluid can enhance the heat transfer and accelerate the reaction. Lower porosity, although increases the energy storage density, leads to higher flow resistance and impedes the reaction. With deep understanding of the physiochemical processes, 16 more tubes are properly added in the by-pass flow region, leading to shorter reaction time and higher energy storage amount. The low values of heat exchange efficiency and energy storage efficiency reveal that the input heat cannot be efficiently transferred to the tube side. To improve the energy conversion performance of reactor, additional schemes are discussed including regenerative HTF, optimization of reactor geometry, increase of reactant thermal conductivity, reducing tube-side flow resistance and extending HTF residence time. The numerical model and simulation results in the present work could be helpful for optimizing the shell-tube Ca(OH)2/CaO reactor and improving the thermochemical energy storage performance.
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