苯基和苯甲酸苄酯作为木质素储氢模型的热化学研究

IF 3.1 3区 工程技术 Q2 CHEMISTRY, ANALYTICAL Journal of Thermal Analysis and Calorimetry Pub Date : 2024-12-10 DOI:10.1007/s10973-024-13765-6
Sergey P. Verevkin, Artemiy A. Samarov, Sergey V. Vostrikov
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引用次数: 0

摘要

苯基苯甲酸酯和苯基苯甲酸酯的热化学性质,包括蒸汽压力、汽化焓和生成焓,是本研究的主题。每个热力学性质的数据集使用量子化学计算和结构-性质相关性进行评估,并推荐用于工程计算。计算了与储氢有关的加氢/脱氢反应的能量,并与传统液态有机氢载体的反应焓进行了比较。图形抽象
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Thermochemical investigation of phenyl and benzyl benzoates as lignin-based models for hydrogen storage

The thermochemical properties of phenyl and benzyl benzoates, including vapour pressures, enthalpies of vaporisation and enthalpies of formation, were the subject of this study. The datasets for each thermodynamic property were evaluated using quantum chemical calculations and structure–property correlations and recommended for engineering calculations. The energetics of hydrogenation/dehydrogenation reactions relevant to hydrogen storage were calculated and compared with the enthalpies of reactions of conventional liquid organic hydrogen carriers.

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来源期刊
CiteScore
8.50
自引率
9.10%
发文量
577
审稿时长
3.8 months
期刊介绍: Journal of Thermal Analysis and Calorimetry is a fully peer reviewed journal publishing high quality papers covering all aspects of thermal analysis, calorimetry, and experimental thermodynamics. The journal publishes regular and special issues in twelve issues every year. The following types of papers are published: Original Research Papers, Short Communications, Reviews, Modern Instruments, Events and Book reviews. The subjects covered are: thermogravimetry, derivative thermogravimetry, differential thermal analysis, thermodilatometry, differential scanning calorimetry of all types, non-scanning calorimetry of all types, thermometry, evolved gas analysis, thermomechanical analysis, emanation thermal analysis, thermal conductivity, multiple techniques, and miscellaneous thermal methods (including the combination of the thermal method with various instrumental techniques), theory and instrumentation for thermal analysis and calorimetry.
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