A structural model of the organic matter of Barzas liptobiolith coal

被引：63

作者：

Patrakov, YF

Kamyanov, VF

Fedyaeva, ON

机构：

[1] Russian Acad Sci, Siberian Branch, Inst Coal & Coal Chem, Kemerovo 650000, Russia

[2] Russian Acad Sci, Inst Petr Chem, Siberian Branch, Tomsk 634021, Russia

来源：

FUEL | 2005年 / 84卷 / 2-3期

关键词：

Barzas coal; molecular modeling; liquefaction;

D O I：

10.1016/j.fuel.2004.08.021

中图分类号：

TE [石油、天然气工业]; TK [能源与动力工程];

学科分类号：

0807 ; 0820 ;

摘要：

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). (C) 2004 Elsevier Ltd. All rights reserved.

引用

页码：189 / 199

页数：11

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