Topic
Elementary reaction
About: Elementary reaction is a research topic. Over the lifetime, 2972 publications have been published within this topic receiving 76110 citations.
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TL;DR: In this paper, the authors explored the application of homogeneous reaction kinetics to geospeedometry and to structural relaxation theory, and showed that the cooling rate at the apparent equilibrium temperature (Ta~, obtained by measuring 'quenched' speciation) and the relaxation time scale at T~ can be approximately related as follows: 2RTae Tae (-dT/dt)lr~r"° "~ max(El, Eb) rr(Tae ) where R is the gas constant, and max(Ef and Eb) is the greater of
47 citations
TL;DR: In this article, a large elementary reaction mechanism was used to study the homogeneous chemistry of methane and natural gas mixed with air and steam, and the deposit propensity was predicted by the sum of mole fractions of all species containing five or more carbon atoms.
47 citations
TL;DR: A Chebyshev-based flux-flux correlation function approach is introduced for calculating multiple initial state selected reaction probabilities for bimolecular reactions and is applied to the title reaction to elucidate the influence of the H(2)O ro-vibrational states on its reactivity.
Abstract: A Chebyshev-based flux-flux correlation function approach is introduced for calculating multiple initial state selected reaction probabilities for bimolecular reactions. Based on the quantum transition-state theory, this approach propagates, with the exact Chebyshev propagator, transition-state wave packets towards the reactant asymptote. It is accurate and efficient if many initial state selected reaction probabilities are needed. This approach is applied to the title reaction to elucidate the influence of the H2O ro-vibrational states on its reactivity. Results from several potential energy surfaces are compared.
47 citations
TL;DR: In this paper, a non-premixed ignition of counterflowing H 2 against hot air is studied numerically with emphasis on developing simplifying approximations to the conservation equations governing this system.
47 citations
TL;DR: In this paper, the reactions of fluorine atoms and several aromatic and heterocyclic molecules were studied and it was shown that when a light group is emitted from a reaction complex randomization of the internal energy of the complex is not more rapid than reaction.
Abstract: This paper reports studies of the reactions of fluorine atoms and several aromatic and heterocyclic molecules. As in earlier work we have used the method of crossed molecular beams to create long‐lived reaction intermediates and to deduce from the angular distribution of the product molecules information about the energy distribution in the reaction complex. The data reported in this paper complement those collected earlier. They show that when a light group is emitted from a reaction complex randomization of the internal energy of the complex is not more rapid than reaction. When a heavy atom is emitted from the reaction complex the limited data available indicate that almost all vibrational degrees of freedom of the complex participate in the reaction. This latter observation provides an interesting connection between vibration‐translation energy exchange and the mechanism of chemical reaction.
47 citations