The pressure and temperature dependence of methane decomposition

Abstract

Single-channel hindered Gorin model RRKM calculations were performed on reaction (1).(1) C H , --+ C H , + H Good agreement between theory and experiment was obtained for the temperature and pressure dependence of reaction (1). Isotopic data for the reverse association reaction, (-l), reported previously, are consistent with the model. Rate constants were cast in the form of an analytical expression and appropriate parameters were tabulated.

Chemical vapor deposition of carbon on graphite by methane pyrolysis

“…We have incorporated this effect when using kinetic expressions available through the extensive critical compilations of NIST (Tsang and Hampson, 1986) and Baulch et al (1992). For the very important methane decomposition reaction, we specifically apply the characterization of Stewart et al (1989), which follows the same form.…”

“…where pi is the correction factor for the collision efficiency and Ei characterizes the collision energy (cf., Stewart et al, 1989). This form considers the microscopic rates of collisional energy transfer and reaction and incorporates the "Center…”

“…111, vij is the stoichiometric coefficient of the ith component in the jth reaction, and Kcj is the concentration based equilibrium constant expressed with parameters aW, bKj, and cKj given in Table 1. The values in Table 1 were compiled from the references by Tsang and Hampson (19861, Baulch et al (1992), and Stewart et al (1989). As shown in Table 2, we have abbreviated the designation of the particular reactor model according to the method for solving the algebraic/differential equations.…”

Development and testing of a comprehensive chemical mechanism for the oxidation of methane

“…There is close agreement between our expression and that from the GRI mechanism, with only a slight diversion at the highest temperatures. The expression used in the GRI mechanism is based on an RRKM calculation by Stewart et al [52], with a modified k ϱ and optimized k o . The expression used in Konnov's mechanism, based on the reverse reaction and thermodynamics, has a significantly different temper- , our mechanism; , GRI mechanism; , Konnov's mechanism; , Chevalier's mechanism.…”

High-temperature ethane and propane decomposition

“…In addition to the experiments presented here, calculations based on a RRKM/1-D master equation approach have been performed using a restricted Gorin model for the transition states [14,32]. These calculations were fit to the current decomposition rate coefficient measurements as well as the low-temperature methyl recombination measurements of Slagle et al [21] and the lowtemperature methyl/ethyl recombination measurements of Knyazev and Slagle [30].…”