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

نویسندگان

  • Svetlana Markovic
  • Zoran Markovic
  • Johan P. Engelbrecht
  • Robert I. McCrindle
چکیده

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.

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عنوان ژورنال:
  • Journal of chemical information and computer sciences

دوره 42 1  شماره 

صفحات  -

تاریخ انتشار 2002