2007
DOI: 10.1021/ie061207p
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Detailed Kinetic Modeling of Gas-Phase Reactions in the Chemical Vapor Deposition of Carbon from Light Hydrocarbons

Abstract: The chemical kinetics of the pyrolysis of the hydrocarbons ethylene, acetylene, and propylene are modeled in detail under conditions relevant to the chemical vapor deposition of pyrolytic carbon. A mechanism that consisted of 227 species and 827 reactions (most of which are reversible) is developed and computed using a software package designed for computing time-dependent homogeneous reaction systems. Experimental results used for model validation are obtained using a vertical flow reactor at 900 °C, pressure… Show more

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Cited by 163 publications
(172 citation statements)
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“…The model is validated by comparison of the computational with experimental results for homogeneous gas-phase pyrolysis of ethylene, acetylene, and propylene as well as for heterogeneous CVD of pyrocarbon from those precursors [8,9]. Concentrations of 44 species including hydrogen and hydrocarbons ranging from methane to coronene are analyzed.…”
Section: Accepted Manuscriptmentioning
confidence: 99%
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“…The model is validated by comparison of the computational with experimental results for homogeneous gas-phase pyrolysis of ethylene, acetylene, and propylene as well as for heterogeneous CVD of pyrocarbon from those precursors [8,9]. Concentrations of 44 species including hydrogen and hydrocarbons ranging from methane to coronene are analyzed.…”
Section: Accepted Manuscriptmentioning
confidence: 99%
“…More details of the mechanism development can be found in our previous papers [8,9]; the mechanism can be downloaded [10].…”
Section: Accepted Manuscriptmentioning
confidence: 99%
See 2 more Smart Citations
“…7 for methane pyrolysis [85]. Detailed reaction mechanisms have been developed to describe the molecular growth processes in the gas-phase by hundreds of elementary steps [86,87]. Even though sticking coefficients for the many potential coke precursors in the gas-phase are difficult to estimate simple models for either adsorption of individual species or the coking growth rate have been developed and applied in the prediction of coking propensity of the catalytic system [88].…”
Section: Deposits From the Gas-phase: Gas-phase Initiated Coking In Dmentioning
confidence: 99%