Title

On the Molecular-Level Interactions Between Pocahontas No. 3 Coal and Pyridine

Document Type

Article

Publication Date

11-1-2001

Department

Chemistry and Biochemistry

School

Mathematics and Natural Sciences

Abstract

Pocahontas No. 3 coal is a low volatile bituminous coal containing, on the average, poly-cyclic aromatic (PCA) units of C20 in the xy plane. The average interlayer distance between these PCA layers is 3.53 ± 0.02 Å; so the z-dimension of the average short-range structural unit of POC, which contains ca. 5 layers of PCA units stacked in an approximately parallel manner, is ca.14 Å. The high aromaticity of POC suggests the possibility of extensive interlayer π−π interactions, but its very low oxygen atom/carbon atom ratio indicates that POC has few oxygen sites available for hydrogen-bonding.

Publication Title

Energy and Fuels

Volume

15

Issue

6

First Page

1537

Last Page

1538

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