Abstract
A size-dependant thermodynamical model for the carbon-hydrogen previously developed by Ouzilleau et al. [1] has been expanded here to include chemisorption of methyl groups. Gibbsenergy minimalisation calculations using FACTSAGE software on this model indicates that hydrogen bonding through methyl groups is energetically favoured as an intermediate between bonding as monoatomic hydrogen to edge hexagons (which is more favourable) and as monoatomic hydrogen to corner hexagons (which is less favourable).
The model has also been applied to methane decomposition and oxide reduction using natural gas. A C-H solid solution as a thermodynamic description of the solid carbon phase influences calculations of carbon activity in metastable methane, and gives different results than when using graphite.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
P. Ouzilleau, A. E. Gheribi, G. Eriksson, D. K. Lindberg and P. Chartrand, «A size-dependent thermodynamic model for coke crystallites: the carbon-hydrogen system,» Submmitted to Carbon Journal, In revision process.
Oleg Ostrovski and Guangqing Zhang, AIChE Journal, 52 (2006), 300–310.
C.W. Bale et al., CALPHAD, 33 (2009), 295–311.
Hillert, Journal of Alloys and Compounds 320 (2001) 161–176
“JANAF Thermochemical Tables”, D.R. Stull and H. Prophet, U.S. Department of Commerce, Washington, 1985.Cp Fitted by CRCT, Montreal.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2015 TMS (The Minerals, Metals & Materials Society)
About this chapter
Cite this chapter
Dalaker, H., Ouzilleau, P., Chartrand, P. (2015). The Application of a Recent Thermodynamic Model for Coke Crystallites: Chemisorption of Methyl Groups, Decomposition of Natural Gas, and the Reduction of Metal Oxides. In: Jiang, T., et al. 6th International Symposium on High-Temperature Metallurgical Processing. Springer, Cham. https://doi.org/10.1007/978-3-319-48217-0_42
Download citation
DOI: https://doi.org/10.1007/978-3-319-48217-0_42
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-48603-1
Online ISBN: 978-3-319-48217-0
eBook Packages: Chemistry and Materials ScienceChemistry and Material Science (R0)