An evaluation of molecular structure for various coals using the characterization chart.

概要

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SYNOPSIS: -The characterization chart proposed by authors illustrates relationship between aromaticity (fa) and atomic H/C ratio for polycyclic aromatic hydrocarbons, their hydrogenated and alkylated compounds. For an evaluation of average structure of coals using this chart, the effect of oxygen on atomic H/C ratio of coals should be taken into account. The oxygen-containing functional groups existing in a coal were classified into three types and correction factors of each type of oxygen for the atomic H/C ratio were shown. Using the experimental results of the type analysis of oxygen have been reported for various coals, an experimental equation for the correction of oxygen to the atomic H/C ratio was obtained as follow. (O/C) type1+2 (O/C) type2=0.73× (O/C) tota1 where, H/C and (O/C) total are the atomic ratios obtained from element analysis. The value of (H/C) c is corrected atomic ratio, being meaningful in the characterization chart. The use of (H/C) c instead of (H/C), make it possible to evaluate more reliable molecular structure for various coals on the characterization chart. The relationship between fa and (H/C) c for various coals on the characterization chart also indicates the change of the average structure depending on coalification degree.
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