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

Philippe Ouzilleau; Aïmen E. Gheribi; Gunnar Eriksson; Daniel Lindberg; Patrice Chartrand

doi:10.1016/j.carbon.2014.12.042

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

Philippe Ouzilleau, Aïmen E. Gheribi, Gunnar Eriksson, Daniel Lindberg, Patrice Chartrand

Research output: Contribution to journal › Article › Scientific › peer-review

14 Citations (Scopus)

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.

Original language	Undefined/Unknown
Pages (from-to)	99–118
Journal	Carbon
Volume	85
DOIs	https://doi.org/10.1016/j.carbon.2014.12.042
Publication status	Published - 2015
MoE publication type	A1 Journal article-refereed

Access to Document

10.1016/j.carbon.2014.12.042

http://www.sciencedirect.com/science/article/pii/S0008622314012032

Cite this

@article{1a65dac528444779b347a04be52b3b2d,

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

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.",

author = "Philippe Ouzilleau and Gheribi, {A{\"i}men E.} and Gunnar Eriksson and Daniel Lindberg and Patrice Chartrand",

note = "ook",

year = "2015",

doi = "10.1016/j.carbon.2014.12.042",

language = "Odefinierat/ok{\"a}nt",

volume = "85",

pages = "99–118",

journal = "Carbon",

issn = "0008-6223",

publisher = "Elsevier",

}

TY - JOUR

T1 - A size-dependent thermodynamic model for coke crystallites: The carbon–hydrogen system up to 2500 K

AU - Ouzilleau, Philippe

AU - Gheribi, Aïmen E.

AU - Eriksson, Gunnar

AU - Lindberg, Daniel

AU - Chartrand, Patrice

N1 - ook

PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

U2 - 10.1016/j.carbon.2014.12.042

DO - 10.1016/j.carbon.2014.12.042

M3 - Artikel

SN - 0008-6223

VL - 85

SP - 99

EP - 118

JO - Carbon

JF - Carbon

ER -