Mg-based thermochemical hydrogen–thermal co-storage: process simulation and reaction-heat matching optimization

YIN Xincheng; GE Zhiwei; SUN Haocheng; MEN Jingjing; WANG Liang; LIN Xipeng; CHEN Haisheng

doi:10.11949/0438-1157.20260664

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Mg-based thermochemical hydrogen–thermal co-storage: process simulation and reaction-heat matching optimization

更新时间：2026-08-10

- Mg-based thermochemical hydrogen–thermal co-storage: process simulation and reaction-heat matching optimization
- CIESC Journal (2026)
- 作者机构：
  
  1.中国科学院工程热物理研究所，北京 100190
  2.中国科学院大学，北京 100049
  3.长时规模储能重点实验室（中国科学院），北京 100190
  4.中科南京未来能源系统研究院，江苏南京 211135
- 作者简介：
- 基金信息：
- DOI：10.11949/0438-1157.20260664
  CLC： TK 91;TK 02
- Received：13 May 2026，
  
  Revised：2026-08-08，
  
  Accepted：10 August 2026，
- 稿件说明：
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YIN Xincheng, GE Zhiwei, SUN Haocheng, et al. Mg-based thermochemical hydrogen–thermal co-storage: process simulation and reaction-heat matching optimization[J/OL]. CIESC Journal, 2026.
DOI：

YIN Xincheng, GE Zhiwei, SUN Haocheng, et al. Mg-based thermochemical hydrogen–thermal co-storage: process simulation and reaction-heat matching optimization[J/OL]. CIESC Journal, 2026. DOI： 10.11949/0438-1157.20260664.

摘要

针对热化学储/释氢反应（MgH

/Mg）储氢过程的热消纳与释氢过程的热需求难以高效协同利用的难题，建立了MgO/Mg(OH)

储/释热与MgH

/Mg储/释氢循环匹配的热化学双反应循环模型。基于热化学释氢-释热与储氢-储热的反应过程热供需关系，采用Aspen Plus在250～450℃和0.5～1.5MPa范围内设计1210个工况实验，探讨双反应的氢-热匹配反应边界。研究结果表明：热化学释氢-释热与储氢-储热双反应耦合熵产导致出口温度随着入口温度呈现明显过渡分区，低温区域以放热反应占优，体系表现为放热富余和出口温升；350 ℃附近吸、放热贡献趋于协调，形成反应热近匹配的关键过渡区；高温区域吸热反应增强，体系转为放热不足和出口温降。双流股压力通过改变H

和H

O分压及其化学势，调节反应亲和力和双反应受限步骤：释氢-释热阶段的协同区域主要位于低释氢压力-高释热压力区，且压力主控作用随温度升高由释热侧向释氢侧迁移，储氢-储热阶段的协同区域则位于高储氢压力-低储热压力区；以双反应温差、单侧转化率、

多目标优化了90%～110%的反应氢-热近匹配的工程应用边界。本研究基于等效混合稳态反应模拟，揭示了热化学双反应过程的最低㶲损及能质匹配关系，研究结果可为热化学独立床层双反应器的结构设计以及双反应协同过程的压力调控策略提供理论依据。

Abstract

To address the poor thermal coordination between heat consumption during hydrogen storage and heat demand during hydrogen release in the MgH

/Mg thermochemical hydro

gen storage cycle

a thermochemical dual-reaction cycle model was established by coupling the MgO/Mg(OH)

heat storage/release cycle with the MgH

/Mg hydrogen storage/release cycle. Based on the heat supply–demand relationship between the hydrogen release–heat release and hydrogen storage–heat storage processes

210 operating cases were simulated in Aspen Plus over an inlet temperature range of 250–450 °C and a pressure range of 0.5–1.5 MPa to determine the hydrogen–heat matching boundaries of the coupled reactions. The results show that entropy generation arising from the coupling of the dual reactions leads to distinct transitional regimes in the outlet-temperature response to inlet temperature. At low temperatures

the exothermic reaction dominates

resulting in excess heat release and an increase in outlet temperature. At approximately 350 °C

the endothermic and exothermic contributions become increasingly balanced

forming a critical transition region for near-matching of reaction heat. At high temperatures

the endothermic reaction is enhanced

and the system shifts to insufficient heat release and a decrease in outlet temperature. The pressures of the two reaction streams regulate the reaction affinity and the rate-limiting steps of the coupled reactions by altering the partial pressures and chemical potentials of H

and H

O. During the hydrogen release–heat release process

the synergistic operating region is mainly located in the low hydrogen-release-pressure and high heat-release-pressure range

while the dominant pressure effect shifts from the heat-release side to the hydrogen-release side as the temperature increases. By contrast

the synergistic region for the hydrogen storage–heat storage process is located in the high hydrogen-storage-pressure and low heat-storage-pressure range. Through multi-objective optimization involving the temperature difference between the two reactions

individual reaction conversions

and the hydrogen–heat matching ratio

an engineering operating boundary corresponding to a near-matching range of 90%–110% was identified. Based on an equivalent-mixing steady-state reaction model

this study elucidates the minimum exergy destruction and energy-quality matching characteristics of thermochemical dual-reaction processes. The results provide a theoretical basis for the structural design of thermochemically coupled dual reactors with separate reaction beds and for the development of pressure-control strategies for synergistic dual-reaction operation.

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