Mathematical model of enthalpy of condensed substances using average molar volumes of elements
Date
2023-11
Authors
Kozub, Pavlo
Miroshnichenko, Nataliia
Kozub, Svetlana
Syrova, Ganna
Journal Title
Journal ISSN
Volume Title
Publisher
SSPG Publish
Abstract
The mathematical dependence of the enthalpy of formation on the average molar volumes of chemical compounds, the number of atoms in the formula unit and the temperature for the condensed state in the widest possible temperature range is obtained. It is established that in contrast to entropy and heat capacity, it is necessary to take into account the initial enthalpy of formation, which can be calculated by the additive scheme. For this the value of atomic enthalpies for all elements is calculated and it is shown that the proposed mathematical model in thisform allows to calculate the entropy of a compound with an average accuracy of up to 120 J/mol (R2-0.9).
Description
Keywords
average molar volume, enthalpy of formation, temperature dependence, 2023а
Citation
Mathematical model of enthalpy of condensed substances using average molar volumes of elements / P. Kozub, N. Miroshnichenko, S. Kozub, G. Syrova // Innovations and prospects in modern science : Proceedings of the 12th International scientific and practical conference, Stockholm, Sweden, 20─22 November 2023 / SSPG Publish. – Stockholm : SSPG Publish, 2023. – P. 328 –334.