相关论文: The power-law reaction rate coefficient for an ele…
We study the TST reaction rate for the systems with power-law distributions. We derive the expressions of the reaction rate coefficient with tunneling correction, which strongly depends on the power-law parameter. The numerical results show…
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 coefficients are derived in the high and low pressure limits,…
The power-law reaction rate coefficient for the barrierless reactions is studied if the reactions take place in systems with power-law distributions, and a generalized rate formula for the barrierless reactions in Gorin model is derived. We…
The collision theory for power-law distributions and a generalized collision theory rate coefficient is studied when the reactions take place in nonequilibrium systems with power-law distributions. We obtain the power-law rate coefficient…
The temperature dependence of the rate of the reaction CH_4+H \to CH_3+H_2 is studied using classical collision theory with a temperature-dependent effective potential derived from a path integral analysis. Analytical expressions are…
Transition state theory (TST) is generalized for the nonequilibrium system with power-law distributions. The stochastic dynamics that gives rise to the power-law distributions for the reaction coordinate and momentum is modeled by the…
We consider a switching rate of a meta-stable reaction scheme, which includes reactions with arbitrary steps, e.g. $kA\to(k+r)A$. Employing WKB approximation, controlled by a large system size, we evaluate both the exponent and the…
Computing reaction rates in biomolecular systems is a common goal of molecular dynamics simulations. The reactions considered often involve conformational changes in the molecule, either changes in the structure of a protein or the relative…
Theoretical reaction rates in the temperature range 0.01*10^9<=T[K]<=10.*10^9 are calculated in the statistical model (Hauser-Feshbach formalism) for targets with 10<=Z<=83 (Ne to Bi) and for a mass range reaching the neutron and proton…
The rates or formation and concentration distributions of a dimer reaction showing hysteresis behavior are examined in an ab initio chemical reaction designed as elementary and where the hysteresis structure precludes the formation of…
Simple bimolecular reactions $A_1+A_2\rightleftharpoons A_3+A_4$ are analyzed within the framework of the Boltzmann equation in the initial stage of a chemical reaction with the system far from chemical equilibrium. The Chapman-Enskog…
We have derived the effect of steady heat flux on the rate of chemical reaction based on the line-of-centers model using the explicit velocity distribution function of the steady-state Boltzmann equation for hard-sphere molecules to second…
We study two different physical scenarios of thermonuclear reactions in stellar plasmas proceeding through a narrow resonance at low energy or through the low energy wing of a wide resonance at high energy. Correspondingly, we derive two…
We investigate the influence of a stochastically fluctuating step-barrier potential on bimolecular reaction rates by exact analytical theory and stochastic simulations. We demonstrate that the system exhibits a new resonant reaction…
This work describes the formalism for estimating thermonuclear reaction rates for astrophysical applications, emphasizing modern statistical approaches such as Monte-Carlo sampling and Bayesian models. We discuss related topics including…
The radiative neutron capture reaction rates have been studied at very low energies which are of interest for nuclear astrophysics. The rates for many of these reactions have remained independent of temperature so far. The temperature…
A general semiclassical theory for the calculation of reaction rate constants is developed. The theory can be understood as a formal framework that encompasses existing semiclassical methods: instanton theory and semiclassical transition…
From a rigorous multichannel quantum-defect formulation of bimolecular processes, we derive a fully quantal and analytic model for the total rate of exoergic bimolecular reactions and/or inelastic processes that is applicable over a wide…
A method based on Monte Carlo techniques is presented for evaluating thermonuclear reaction rates. We begin by reviewing commonly applied procedures and point out that reaction rates that have been reported up to now in the literature have…
We present a general expression for the association rate for partially diffusion-controlled reactions between spherical molecules with an asymmetric reactive patch on each surface. Reaction can occur only if the two patches are in contact…