Title of article
A structural model of the organic matter of Barzas liptobiolith coal
Author/Authors
I. I. Lyapilin and A. E. Patrakov ، نويسنده , , Yu. F. and Kamyanov، نويسنده , , V.F. and Fedyaeva، نويسنده , , O.N.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
11
From page
189
To page
199
Abstract
The average structure of organic substances contained in Barzas coal has been constructed by means of a commercial molecular modelling package on the basis of kinetic investigations and structural group analysis of high-molecular products obtained by the process of coal non-isothermal liquefaction in a proton–donor solvent. This model structure has been optimized geometrically by minimization of its conformational energy. The established model structure corresponds to the mean formula C727H790N2S4O36 and to a molecular weight of 10,260 g/mol (amu).
Keywords
Barzas coal , molecular modeling , Liquefaction
Journal title
Fuel
Serial Year
2005
Journal title
Fuel
Record number
1459959
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