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Levine, R. D.

Publications and source records attributed to Levine, R. D..

18 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Classical trajectory study of the K + CH3I reaction

Potential surfaces for the system K+IR were considered, taking into account a covalent surface, an ionic surface, the overall potential, and a comparison of a modified Bunker-Blais and a hybrid covalent-ionic potential of the electron-jump type. The Lagrange equations were solved as a system of second-order differential equations. The impact parameter, angular, and energy dependences of the product distributions for the nonreactive, reactive, and dissociative scattering were studied.

Labudde, R. A.↗
NASA NTRS1972

Entropy and chemical change. 1: Characterization of product (and reactant) energy distributions in reactive molecular collisions: Information and enthropy deficiency

Optimal means of characterizing the distribution of product energy states resulting from reactive collisions of molecules with restricted distributions of initial states are considered, along with those for characterizing the particular reactant state distribution which yields a given set of product states at a specified total energy. It is suggested to represent the energy-dependence of global-type results in the form of square-faced bar plots, and of data for specific-type experiments as triangular-faced prismatic plots. The essential parameters defining the internal state distribution are isolated, and the information content of such a distribution is put on a quantitative basis. The relationship between the information content, the surprisal, and the entropy of the continuous distribution is established. The concept of an entropy deficiency, which characterizes the specificity of product state formation, is suggested as a useful measure of the deviance from statistical behavior. The degradation of information by experimental averaging is considered, leading to bounds on the entropy deficiency.

Bernstein, R. B.↗
NASA NTRS1972

Post-threshold energy dependence of the cross section for endoergic processes - Vibrational excitation and reactive scattering.

The essential features of the translational energy dependence or excitation function for two types of endoergic collisional processes are deduced on the basis of information on the inverse, exoergic processes. Microreversibility is conveniently exploited via the symmetric field function, Y(E), which is uniquely determined at a given total energy, E. In the case of the vibrational excitation of diatomic molecules by atomic or molecular impact, use is made of the abundant data on the temperature dependence of the relaxation time.

Levine, R. D.↗
NASA NTRS1969

Simplistic analysis of reactive scattering

Angular distribution of nonreactively scattered molecules in reactive collision, analyzing relation to reaction probability using gray sphere optical model

Bernstein, R. B.↗