神府大柳塔煤结构浅析

BASIC STRUCTURE MODEL OF DALIUTA 2# COAL

用~1H-、^(13)C-NMR和FTIR对神府大柳塔2~#煤(简称DL2)在420℃得到的甲苯萃取物(产率为25.6W%daf)和甲苯+20%四氢萘萃取物(产率为66.6W%daf)进行了分析,并据此按Brown-Ladner修正式求取了它们的结构参数。根据萃取物的结构参数和萃取过程分析推断了DL2煤的结构。认为DL2煤的结构特点为:结构中含有较大量氢化芳环和长直链取代基,羟基仅占氧含量的三分之一左右,有少量羰基存在于小分子或支链中。

Two extracts were obtained at 420℃ from Daliuta 2~# coal (DL2), which is a Chinese subbituminous coal in huge reserve,in a semicontinuous apparatus with toluene and toluene tetralin as solvents. Their structural parameters were evaluated by modified Brown-Ladner equatioas according to their ~1H- and ^(13)C-NMR spectra. Similarity of the IR spectra of DL2 coal, its extracts and residues implies that they are similar in structural units. Therefore, the structure of DL2 coal can be deduced from its extracts. The structure of DL2 coal is typically of high content of long-chain alkyl substituents and hydroaromatics.There are more than 5 rings which contain hydroaromatic and heterocyclic rings in the structural units of DL2 coal. The structural units are bridged by alkyl and ether link in three dimensions. Space enclosed by aromatic rings, branches and bridges is occupied by small species which can be extracted at low temperature by organic solvents.33% of oxygen in the coal was found in OH group. Sulphur may be mainly bonded in the forms of mercaptan and thioether which are thermally unstable. Nitrogen was mainly found in heteroaromatics.