文献类型：期刊文献

英文题名：Regulation strategies for phase transition temperature ranges of phase change materials: A review

作者：Liu, Zhongbao[1];Hu, Biao[1,2];Xia, Zhaohui[2];Yang, Jinxin[1];Li, Chunwang[2];Wang, Hui[2]

第一作者：Liu, Zhongbao

通讯作者：Wang, H[1]

机构：[1]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China;[2]Beijing Union Univ, Coll Biochem Engn, Beijing 100023, Peoples R China

第一机构：Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China

通讯机构：[1]corresponding author), Beijing Union Univ, Coll Biochem Engn, Beijing 100023, Peoples R China.|[1141726]北京联合大学生物化学工程学院;[11417]北京联合大学;

年份：2026

卷号：178

外文期刊名：JOURNAL OF ENERGY STORAGE

收录：;EI(收录号：20262821095371);Scopus(收录号：2-s2.0-105044408706);WOS:【SCI-EXPANDED(收录号:WOS:001823930700001)】；

基金：This work was supported by the National Natural Science Foundation of China (No.52306290) and the Academic Research Projects of Beijing Union University (No. ZK10202506) .

语种：英文

外文关键词：Phase change materials; Regulation of the phase transition temperature range; Eutectic system; Pitzer model; Molecular dynamics simulation

摘要：Phase change materials (PCMs) have gained considerable attention in the realm of thermal energy storage on account of their high energy storage density and stable phase transition temperatures. Precise regulation of the phase transition temperature range is a prerequisite for their adaptation to practical application scenarios. If the phase transition temperature is excessively high, low-grade thermal energy cannot be effectively harvested; conversely, an excessively low temperature makes PCMs susceptible to environmental perturbations, leading to unintended phase transitions and consequently a sharp decline or even failure of energy storage efficiency. Therefore, the practical application of PCMs critically relies on the accurate control of their phase transition temperature ranges. This review systematically summarizes recent research progress in the regulation of phase transition temperature ranges of PCMs, with particular emphasis on two major strategies: eutectic system design and material modification. At the macroscopic level, thermodynamic models based on solid-liquid equilibrium theory, including the Schro & uml;der equation and the Pitzer model, are introduced for eutectic point prediction. At the microscopic level, recent advances in first-principles calculations based on density functional theory (DFT) and molecular dynamics (MD) simulations are reviewed to elucidate the underlying regulation mechanisms. Finally, current challenges, including the limited universality of existing thermodynamic models and the difficulty in coupling multiscale simulations, are discussed. Future perspectives are proposed, focusing on the development of high-accuracy force fields, the enhancement of nonequilibrium process simulations, and the deeper integration of theoretical modeling with experimental validation.