نتایج جستجو برای: reaction rate constant

تعداد نتایج: 1494826  

Journal: :international journal of environmental research 2010
h. liu j. tan h.x. yu h.x. liu l.s. wang

although extensive experimental work has been carried out during the last several years, experimental reaction rate constants are available only for hundreds of compounds. therefore, it is useful to develop a theoretical prediction method, which can be used to obtain estimates of the necessary kinetic parameters. one of the most successful approaches to predict chemical properties starting only...

2000
D. J. Bicout Attila Szabo

The reaction A + B −→ B is studied when the reactants diffuse in phase space, i.e. their dynamics is described by the Langevin equation. The steadystate rate constants are calculated for both the target (static A and mobile B’s) and trapping (mobile A and static B’s) problems when the reaction is assumed to occur at the first contact. For Brownian dynamics (i.e., ordinary diffusion), the rate c...

Journal: :Physical chemistry chemical physics : PCCP 2015
Shaun G Ard Ryan S Johnson Joshua J Melko Oscar Martinez Nicholas S Shuman Vladimir G Ushakov Hua Guo Jürgen Troe Albert A Viggiano

The reactions of FeO(+) with H2 and of Fe(+) with N2O were studied with respect to the production and reactivity of electronically excited (4)Fe(+) cations. The reaction of electronic ground state (6)FeO(+) with H2 was found to predominantly produce electronically excited (4)Fe(+) as opposed to electronic ground state (6)Fe(+) corresponding to a spin-allowed reaction. (4)Fe(+) was observed to r...

An empirical rate equation was obtained for the methanation kinetics catalyzed by MCR-2X, a commercial catalyst prepared by Haldor-Topsoe. The studies were carried out in a fixed-bed reactor under differential conditions, and in a gradientless recycle reactor (Berry) over a range of total pressures, reactant concentractions (H2/CO ratios), and temperatures. The kinetics of methanation were foun...

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