相关论文: Apparent Rate Constant for Diffusion-Controlled Th…
We consider a special type of fast reaction-diffusion systems in which the coefficients of the reaction terms of the two substances are much larger than those of the diffusion terms while the diffusive motion to the substrate is negligible.…
Canonical instanton theory is a widespread approach to describe the dynamics of chemical reactions in low temperature environments when tunneling effects become dominant. It is a semiclassical theory which requires locating classical…
Modern potential energy surfaces have shifted attention to molecular simulations of chemical reactions. While various methods can estimate rate constants for conformational transitions in molecular dynamics simulations, their applicability…
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…
We give an explicit formula for the change of speed of pushed and bistable fronts of the reaction diffusion equation when a small cutoff is applied at the unstable or metastable equilibrium point. The results are valid for arbitrary…
We evaluate charge diffusion constant of dense and hot hadronic matter based on the molecular dynamical method by using a hadronic collision generator which describes nuclear collisions at energies 10 < E < 100 GeV/A and satisfies detailed…
We study the properties of diffusion controlled reactions with traps or reaction sites attached to polymer chains or to a star polymer. Using a field theoretical renormalization group approach we obtain the scaling of the moments of…
Reaction rate constants and cross sections are computed for the radiative association of carbon cations ($\text{C}^+$) and fluorine atoms ($\text{F}$) in their ground states. We consider reactions through the electronic transition $1^1\Pi…
We study front propagation in the reaction diffusion process $\{A\stackrel{\epsilon}\to2A, A\stackrel {\epsilon_t}\to3A\}$ on a one dimensional (1d) lattice with hard core interaction between the particles. Using the leading particle…
A hybrid mesoscopic multi-particle collision model is used to study diffusion-influenced reaction kinetics. The mesoscopic particle dynamics conserves mass, momentum and energy so that hydrodynamic effects are fully taken into account.…
Micrometer-sized objects are widely known to exhibit chemically-driven motility in systems away from equilibrium. Experimental observation of reaction-induced motility or enhancement in diffusivity at the much shorter length scale of small…
We expand on a previous study of fronts in finite particle number reaction-diffusion systems in the presence of a reaction rate gradient in the direction of the front motion. We study the system via reaction-diffusion equations, using the…
A non-equilibrium steady state is characterized by a non-zero steady dissipation rate. Chemical reaction systems under suitable conditions may generate such states. We propose here a method that is able to distinguish states with identical…
We consider the dynamics of diffusing particles in one space dimension with annihilation on collision and nucleation (creation of particles) with constant probability per unit time and length. The cases of nucleation of single particles and…
A prototype statistical model for the etching of a random solid is investigated in order to assess the influence of disorder and temperature on the dissolution kinetics. At low temperature, the kinetics is dominated by percolation…
We use a boolean cellular automaton model to describe the diffusion limited dynamics of the irreversible reaction A+A->A+S on a 1D lattice. We derive a set of equations for the dynamics of the empty interval probabilities from which…
We examine the long time behaviour of A+B->0 reaction diffusion systems with initially segregated species A and B. All of our analysis is carried out for arbitrary (positive) values of the diffusion constants $D_A$, $D_B$, and initial…
Motivated by a problem in heterogeneous catalysis, we study a model for irreversible first-order reactions in which gas transport occurs only by diffusion, and reaction occurs only at a small number of well-localized sites. The main problem…
With the chemical reaction rate database UMIST95 (Millar et al. 1997) we analyze how uncertainties in rate constants of gas-phase chemical reactions influence the modelling of molecular abundances in the interstellar medium. Random…
Intermolecular hydrogen transfer free radical reactions are common in the combustion process and in a number of organic chemistry reactions. Therefore, evaluating the pressure and temperature-dependent rate constants of them is of great…