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Mg/Al/Ti改性钙基热化学储能材料及原子作用机制

Mg/Al/Ti Co-Modified Calcium-Based Thermochemical Energy StorageMaterials and the Mechanism of Their Atomic Interactions
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摘要 基于CaO/CaCO_(3)循环的钙基热化学储能体系在循环过程中由于CaO晶粒的烧结导致储能性能下降严重。本文基于改进的溶胶凝胶法制备了复合改性钙基材料,以MgCl_(2)为主要掺杂剂,并结合钛酸四丁酯或Al(NO_(3))_(3)共同作用提高材料在100次循环中的稳定性。复合改性材料在100次循环中的平均转化率为0.634,对应平均储能密度高达1132 kJ·kg^(-1)。此外,DFT计算表明,掺杂相与CaO的键合力强于CaO本身的键合力,抑制CaO原子扩散进而发挥抗烧结作用,且复合材料对CO_(2)的吸收能力也有所提高。 The CaCO_(3)/CaO-based thermochemical energy storage experiences a severe decrease in energy storage performance during the multiple cycles due to the sintering of CaO grains.In this study,the modified calcium-based composites are prepared by improved sol-gel method.MgCl_(2)is used as the main dopant,combined with tetrabutyl titanate or Al(NO_(3))_(3)to improve the cyclic stability in 100 cycles.The average conversion of the co-modified composite in 100 cycles is 0.634,and the corresponding average energy storage density is 1132 kJ·kg^(-1).In addition,DFT calculations show that the bonding strength between dopants and CaO is stronger than that within CaO itself.This strong bonding interaction inhibits the atomic diffusion of CaO and plays a role of anti-sintering.Furthermore,the ability of the composite to absorb is also improved.
作者 田希坤 郭思佳 闫君 林尚超 赵长颖 TIAN Xikun;GUO Sijia;YAN Jun;LIN Shangchao;ZHAO Changying(Institute of Engineering Thermophysics,Shanghai Jiao Tong University,Shanghai 200240,China)
出处 《工程热物理学报》 EI CSCD 北大核心 2023年第11期3052-3059,共8页 Journal of Engineering Thermophysics
基金 国家自然科学基金重大项目(No.52090063)。
关键词 热化学储能 钙基材料 循环稳定性 吸附能 thermochemical energy storage calcium-based materials cyclic stability adsorption energy
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