期刊
JOURNAL OF CHEMICAL THERMODYNAMICS
卷 163, 期 -, 页码 -出版社
ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jct.2021.106586
关键词
Heat capacity; Vaporization enthalpy; Alkanes; Group contribution scheme
资金
- Ministry of Science and Higher Education of the Russian Federation [14, Y26.31.0019]
This study investigates the relationship between the heat capacities of liquid and ideal gas in alkanes, and the intermolecular interaction energy. A linear correlation was found for 40 alkanes, regardless of branching, with competitive results compared to experimental techniques.
In the present work, the relationship between the difference of the heat capacities of the liquid and ideal gas and intermolecular interaction energy in alkanes was investigated. The vaporization enthalpy at 298.15 K was considered as a measure of intermolecular interaction energy. For 40 alkanes linear correlation between the above quantities was revealed with a root mean square deviation (RMS) of 3.5 J.K-1.mol(-1), regardless of branching. Using this correlation and group-contribution-derived vaporization enthalpies at 298.15 K, the vaporization enthalpies of 192 alkanes at elevated temperatures were calculated and compared with 317 literature values. RMS equaled 1.7 kJ.mol(-1), being competitive with experimental techniques. (C) 2021 Elsevier Ltd.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据