Simulation of the Destructive Hydrogenation of Coal Asphaltene
(Short Communication)

M. I. Baikenov^a, Sh. K. Amerkhanova^a, G. G. Baikenova^b,
L. K. Abulyaisova^a, and A. S. Uali^a

^a Buketov State University, ul. Universitetskaya 28, Karaganda, 100028 Kazakhstan

^b Modern Humanitarian Technical Institute, Karaganda, 100008 Kazakhstan

e-mail: amerkhanova_sh@mail.ru

Received July 2, 2012

Abstract—Data of the computer simulation of the destructive hydrogenation of coal asphaltene are reported.
These data were obtained by quantum-chemical methods for refining the geometric configurations of the
asphaltene molecule and its radical fragments (UPM3) and the directions of the unimolecular thermal degrada-
tion and hydrogenation of a radical fragment (UHF/6-311 + G(d,p)).

DOI: 10.3103/S0361521913040034

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