Theoretical Model Building for Describing the Reaction-Heat Coupling Phenomenon in Metal Hydride Reactors

WANG Jing; LI Ruiqing; DAI Min; YANG Fusheng; Jasmina Grbović NOVAKOVIĆ; WU Zhen; ZHANG Zaoxiao

doi:10.7652/xjtuxb202505007

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Theoretical Model Building for Describing the Reaction-Heat Coupling Phenomenon in Metal Hydride Reactors

更新时间：2025-08-26

- Theoretical Model Building for Describing the Reaction-Heat Coupling Phenomenon in Metal Hydride Reactors
- Journal of Xi’an Jiaotong University Vol. 59, Issue 5, Pages: 64-74(2025)
- 作者机构：
  
  1.西安交通大学化工学院， 710049，西安
  2.重庆嘉陵特种装备有限公司， 400032，重庆
  3.贝尔格莱德大学文查核科学研究所， 11000，塞尔维亚贝尔格莱德
- 作者简介：
- 基金信息：
- DOI：10.7652/xjtuxb202505007
  CLC： TK02
- Received：24 September 2024，
  
  Online First：13 January 2025，
  
  Published：10 May 2025
- 稿件说明：
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WANG Jing, LI Ruiqing, DAI Min, et al. Theoretical Model Building for Describing the Reaction-Heat Coupling Phenomenon in Metal Hydride Reactors[J]. Journal of Xi’an Jiaotong University, 2025, 59(5): 64-74.
DOI：

WANG Jing, LI Ruiqing, DAI Min, et al. Theoretical Model Building for Describing the Reaction-Heat Coupling Phenomenon in Metal Hydride Reactors[J]. Journal of Xi’an Jiaotong University, 2025, 59(5): 64-74. DOI： 10.7652/xjtuxb202505007.

摘要

为了完善金属氢化物反应器理论模型，实现精确描述反应器内部反应过程，利用经典的Stefan问题，描述金属氢化物反应器内部的氢热耦合现象，将之简化为反应锋面推进问题。通过结合热势理论和过増元等的热质理论，提出了一套新的基于热势理论的修正求解方法。该方法在求解耗散函数过程中，不再依照热位移场与内热源的关系将热位移场区分为两个部分分别求导，而是对热位移场整体进行求导。结果发现，与文献结果对比，热势理论修正方法求得的近似解在结构上涵盖了现有的理论模型，且具有较高的精度，与模拟结果的平均误差为0.6%。研究表明，利用反应锋面推进模型描述反应器中氢热耦合现象是合理的，所构建的理论模型可以对不同工况下的反应过程进行合理及精确的预测。

Abstract

In order to improve the theoretical model of metal hydride reactors and achieve an accurate description of the reaction process of the reactor

the classical Stefan problem is utilized to describe the hydrogen-thermal coupling phenomenon inside the metal hydride reactor

simplifying it into a reaction front advance problem. By combining the thermal potential theory and the caloric theory proposed by Guo Zengyuan et al

a new modified method based on the “thermal potential” theory is introduced. In this method

when solving for the dissipation function

instead of differentiating the thermal displacement field into two parts based on its relationship with the internal heat source

the entire thermal displacement field is differentiated as a whole. As a result

it was found that compared with the literature results

the approximate solution obtained by the modified method of thermal potential theory encompassed the existing theoretical models structurally and exhibited high accuracy

with an average error of 0.6% compared to the simulation results. Research has shown that utilizing the reaction front advance model to describe hydrogen-heat coupling phenomena in the reactor is reasonable

and the proposed theoretical model can provide reasonable and accurate predictions for the reaction process under different operating conditions.

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references

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