Spectral Moments of Polycyclic Aromatic Hydrocarbons. Solution of a Kinetic Problem

The relationship between the rate of supercritical fluid extraction of polycyclic aromatic hydrocarbons (PAHs) from coal-tar pitch and some topological invariants are examined. The aim is to explain the appearance of a minimum value on the activation energy/molar mass curve of the PAHs. Rate constan...

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Bibliographic Details
Published in:Journal of Chemical Information and Computer Sciences 2002-01, Vol.42 (1), p.82-86
Main Authors: Marković, Svetlana, Marković, Zoran, Engelbrecht, Johan P, McCrindle, Robert I
Format: Article
Language:English
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Summary:The relationship between the rate of supercritical fluid extraction of polycyclic aromatic hydrocarbons (PAHs) from coal-tar pitch and some topological invariants are examined. The aim is to explain the appearance of a minimum value on the activation energy/molar mass curve of the PAHs. Rate constants are approximated using spectral moment expansion. It is shown that the size of the PAHs determines more than 95% of the extraction rate. Activation energy for the extraction of the PAHs was found to increase with increasing molar mass. The appearance of a minimum value on the activation energy/molar mass curve is the consequence of experimental difficulties resulting from the tendency of lower members of the PAHs to sublime.
ISSN:0095-2338
1549-960X
1520-5142
DOI:10.1021/ci0100604