Title

X-ray Scattering Analysis of the Average Poly-Cyclic Aromatic Unit in Argonne Premium Coal 401

Document Type

Article

Publication Date

1-1-1998

Department

Chemistry and Biochemistry

Abstract

An X-ray scattering study of APC 401 (a coal taken from the Pittsburgh seam), using MoKalpha X-rays, indicates that the longest distance between carbon atoms in the mean poly-cyclic aromatic (PCA) unit is approx. 7.5 Angstrom. The radial-distribution function indicates that, on the average, each carbon 2.2 nearest carbon neighbors at an average distance of 1.43 Angstrom. This information is consistent with the interpretation that 27% of the C-C bonds in this coal involve at least one alkyl carbon, while 73% of the C-C bonds are between aryl carbons. Comparisons of the atom-pair correlation function to simulated one-dimensional structure functions calculated from three-dimensional structural models of several poly-cyclic molecules indicate that a ribbon-shaped C-14 unit (analogous to anthracene) best agrees with the results of our X-ray scattering data. Interpretation of the atom-pair correlation function also suggests that the alkyl carbons are predominantly, if not exclusively, bonded to the PCA unit. (C) 1997 Elsevier Science Ltd.

Publication Title

Fuel

Volume

77

Issue

40910

First Page

43

Last Page

53