Determination of the Thermodynamic Functions of a Fraction of Primary Coal Tar by an Additive Method

• Published in: Solid fuel chemistry Vol. 55; no. 3; pp. 171 - 176
• Main Authors: Aitbekova, D. E., Baikenov, M. I., Balpanova, N. Zh, Tusipkhan, A., Baikenova, G. G., Yarkova, T. A., Gyul’maliev, A. M.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01.05.2021; Springer Nature B.V
• Subjects: Aromatic compounds; Boiling points; Chemistry; Chemistry and Materials Science; Coal; Coal tar; Enthalpy; Hydrogenation; Hydrogenolysis; Hydroxyl groups; Modelling; Physical Chemistry; thermodynamic functions; primary coal tar; additive method; hydrogenation; heavy hydrocarbon feedstock
• ISSN: 0361-5219; 1934-8029
• DOI: 10.3103/S0361521921030034

The calculated thermodynamic functions of a primary coal tar fraction with a final boiling point of 300°C were presented for the modeling of hydrogenation products using an additive method. Based on model reactions of the hydrogenation of o -cresol, it was demonstrated that the hydrogenation of an aromatic ring is more likely than the hydrogenolysis of the bonds of methyl and hydroxyl groups with the aromatic ring in a temperature range of 700 K. The heat capacity, enthalpy, entropy, and Gibbs energy were calculated for the total composition of coal tar with a final boiling point of 300°C taking into account the additivity of thermodynamic functions in a temperature range of 298–1000 K. It was shown that these data can be used in the process modeling of the hydrogenation conversion of the primary coal tar fraction.