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Kinetics of low-temperature transitions and a reaction rate theory from non-equilibrium distributions
This article surveys the empirical information which originated both by laboratory
experiments and by computational simulations, and expands previous understanding of the …
experiments and by computational simulations, and expands previous understanding of the …
How does substitution affect the unimolecular reaction rates of Criegee intermediates?
To gain an understanding of the substitution effect on the unimolecular reaction rate
coefficients for Criegee intermediates (CIs), we performed ab initio calculations for CH2OO …
coefficients for Criegee intermediates (CIs), we performed ab initio calculations for CH2OO …
Deformed Butler–Volmer models for convex semilogarithmic current-overpotential profiles of Li-ion batteries
The Butler–Volmer (BV) equation links the current flux crossing an electrochemical interface
to the electric potential drop across it with the assumption of Arrhenius kinetics and the …
to the electric potential drop across it with the assumption of Arrhenius kinetics and the …
Elements of Transition-State Theory in Relation to the Thermal Dissociation of Selected Solid Compounds.
An analysis was carried out on the thermal dissociation of selected inorganic salts according
to Transition-State Theory (TST). For this purpose, two possibilities were compared in the …
to Transition-State Theory (TST). For this purpose, two possibilities were compared in the …
Two new predictors combined with quantum chemical parameters for the selection of oxidants and degradation of organic contaminants: A QSAR modeling study
Oxidation is an attractive treatment method to effectively remove organic contaminants in
water. In this study, degradation of 30 organic compounds in different oxidation systems was …
water. In this study, degradation of 30 organic compounds in different oxidation systems was …
Kramers escape rate in overdamped systems with the power-law distribution
Y Zhou, J Du - Physica A: Statistical Mechanics and its Applications, 2014 - Elsevier
Kramers escape rate in the overdamped systems is restudied for the power-law distribution.
By using the mean first passage time, we derive the escape rate with the power-law …
By using the mean first passage time, we derive the escape rate with the power-law …
[HTML][HTML] Isokinetic and compensation temperature in the analysis of thermal dissociation of the solid phase under dynamic conditions
Sets of Arrhenius parameters, determined according to known different equations for
dynamic conditions, in the vast majority form the Kinetic Compensation Effect (KCE) …
dynamic conditions, in the vast majority form the Kinetic Compensation Effect (KCE) …
The collision theory reaction rate coefficient for power-law distributions
The collision theory for power-law distributions and the generalized reaction rate coefficient
are studied when reactions take place in nonequilibrium systems with power-law …
are studied when reactions take place in nonequilibrium systems with power-law …
A probabilistic rate theory connecting kinetics to thermodynamics
D Michel - Physica A: Statistical Mechanics and its Applications, 2018 - Elsevier
Kinetics and thermodynamics are largely disconnected in current theories because
Arrhenius activation energies (E a) have strictly no influence on equilibrium distributions. A …
Arrhenius activation energies (E a) have strictly no influence on equilibrium distributions. A …
The rate coefficients of unimolecular reactions in the systems with power-law distributions
The rate coefficient formulae of unimolecular reactions are generalized to the systems with
the power-law distributions based on nonextensive statistics, and the power-law rate …
the power-law distributions based on nonextensive statistics, and the power-law rate …