Determination of the Thermodynamic Functions of a Fraction
of Primary Coal Tar by an Additive Method
D. E. Aitbekovaa,*, M. I. Baikenova,**, N. Zh. Balpanovaa,***, A. Tusipkhana,****,
G. G. Baikenovab,c,**, T. A. Yarkovad,*****, and A. M. Gyul’malieve,******
a Karaganda Buketov University, Karaganda, 100028 Kazakhstan
b Karaganda Economic University of Kazpotrebsoyuz,
Karaganda, 100009 Kazakhstan
c South Ural State University, Chelyabinsk, 454080 Russia
d Plekhanov Russian University of Economics, Moscow, 117997 Russia
e Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences,
Moscow, 119991 Russia
Correspondence to: *e-mail: darzhan91@mail.ru
Correspondence to: **e-mail: murzabek_b@mail.ru
Correspondence to: ***e-mail: nazerke_90@mail.ru
Correspondence to: ****e-mail: almas_kz_22@mail.ru
Correspondence to: *****e-mail: tat772003@list.ru
Correspondence to: ******e-mail: gyulmaliev@ips.ac.ru
Received 15 August, 2020
Abstract—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.
Keywords: thermodynamic functions, heavy hydrocarbon feedstock, primary coal tar, hydrogenation, additive method
DOI: 10.3103/S0361521921030034