A size-dependent thermodynamic model for coke crystallites: The carbon–hydrogen system up to 2500 K

A1 Journal article (refereed)


Internal Authors/Editors


Publication Details

List of Authors: Philippe Ouzilleau, Aïmen E. Gheribi, Gunnar Eriksson, Daniel K. Lindberg, Patrice Chartrand
Publisher: Elsevier
Publication year: 2015
Journal: Carbon
Volume number: 85
Start page: 99
End page: 118
eISSN: 1873-3891


Abstract

The development is presented of a model of the thermodynamic functions of enthalpy, entropy and Gibbs energy for the elements carbon and hydrogen in coke crystallites. It is applicable to varying degrees of graphitization, described by the crystallite length La and the crystallite height Lc. The model parameters are derived from known properties such as bond enthalpies and entropies of formation. Good agreement has been obtained between the predicted thermal dehydrogenation of petroleum cokes and experimental data. The removal of hydrogen from idealized coke crystallites is predicted to occur mostly between 1100 and 1300 K. Agreement has also been found in the comparison of the predicted thermodynamic stability of coke relative to graphite, in a previous experimental study. This stability has been determined as at ≈900 J g−1 at temperatures between 950 and 1250 K and for La = 10 nm. The current predictive capacity of the present model is valid for temperatures up to 2500 K.

Last updated on 2019-19-08 at 05:34