On the Deposition Equilibrium of Carbon Nanotubes or Graphite in the Reforming Processes of Lower Hydrocarbon Fuels

The modeling of carbon deposition from C-H-O reformates has usually employed thermodynamic data for graphite, but has rarely employed such data for impure filamentous carbon. Therefore, electrochemical data for the literature on the chemical potential of two types of purified carbon nanotubes (CNTs)...

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Bibliographic Details
Published in:Entropy (Basel, Switzerland) Switzerland), 2017-12, Vol.19 (12), p.650
Main Authors: Jaworski, Zdzisław, Pianko-Oprych, Paulina
Format: Article
Language:English
Subjects:
Atomic oxygen
Carbon
carbon deposition
Carbon nanotubes
Chemical potential
Computation
Deposition
Equilibrium
Equilibrium conditions
Graphite
Hydrocarbon fuels
Liquefied natural gas
Liquefied petroleum gas
Mathematical models
Modelling
Nanotubes
Natural gas
Reforming
Thermodynamic equilibrium
wet and dry reforming
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Summary:The modeling of carbon deposition from C-H-O reformates has usually employed thermodynamic data for graphite, but has rarely employed such data for impure filamentous carbon. Therefore, electrochemical data for the literature on the chemical potential of two types of purified carbon nanotubes (CNTs) are included in the study. Parameter values determining the thermodynamic equilibrium of the deposition of either graphite or CNTs are computed for dry and wet reformates from natural gas and liquefied petroleum gas. The calculation results are presented as the atomic oxygen-to-carbon ratio (O/C) against temperature (200 to 100 °C) for various pressures (1 to 30 bar). Areas of O/C for either carbon deposition or deposition-free are computed, and indicate the critical O/C values below which the deposition can occur. Only three types of deposited carbon were found in the studied equilibrium conditions: Graphite, multi-walled CNTs, and single-walled CNTs in bundles. The temperature regions of the appearance of the thermodynamically stable forms of solid carbon are numerically determined as being independent of pressure and the analyzed reactants. The modeling indicates a significant increase in the critical O/C for the deposition of CNTs against that for graphite. The highest rise in the critical O/C, of up to 290% at 30 bar, was found for the wet reforming process.
ISSN:1099-4300
1099-4300
DOI:10.3390/e19120650