reaction kinetics theoryturbulencevortices/ autocatalytic reactionsdeveloped turbulencereaction-diffusion modelintermittencyintermittent population distributionsnonGaussian statisticsWe present a model of a diffusing chemical species undergoing stochastic autocatalytic (birth-death) reactions. This system develops ...
(3) equivariant diffusion model that satisfies all physical symmetries and constraints for generating sets of structures—reactant, transition state and product—in an elementary reaction. Provided reactant and product, this model generates a transition state structure in seconds instead of hours, which...
In accordance with the proposed diffusion-kinetic model, the initial nonlinear section of each curve principally reflects the drug diffusion process, whereas the linear section corresponds to the kinetic process of partial loss of polymer weight because of the onset of the hydrolytic decomposition of ...
mous model can be written as u t = f u, v + r 2 u, 1 v t = g u, v + r 2 v, 2 where f and g describe the reaction kinetics and the last term in each equation represents diffusion, with the ratio of diffusion coefficients, =D v / D u . Here we choose the ...
Kinetics of diffusion-controlled reactions: Transient effects in fluorescence quenching A test of the continuum model for diffusion controlled reactions as applied to fluorescence quenching is presented and discussed. By proper selection of sy... TL Nemzek,WR Ware - 《Journal of Chemical Physics》 被...
These vectorized digits are then passed to the NNK model and serve as input neurons. Fig. 1: Schematic illustration of neural network kinetics (NNK) framework. a The on-lattice structure and chemistry representation of the entire system. A vacancy and its local atomic environment are encoded ...
Time delays have been investigated in the context of Turing patterns, both numerically and analytically, through the incorporation of constant fixed time delays. One of the canonical reaction–diffusion mechanisms that exhibits Turing instabilities is the Schnakenberg model (Schnakenberg 1979), also ...
Ising modelmolecular dynamics methodreaction kinetics theorysuspensions/ reversible diffusion controlled reactionscolloidal kinetic Ising modeltime dependenceThe time-dependence of reversible diffusion-controlled reactions in a binary suspension of equal-sized spheres is studied on the basis of the time-...
Wu, Numerical simulation of electrochemical diffusion-migration model with reaction at electrodes, Computer Methods in Applied Mechanics and Engineering 132, 305-317 (1996).Kwok, Y.-K. and C.C.K. Wu, Numerical simulation of electrochemical diffusion- migration model with reaction at electrodes. ...
E. Accuracy of timescales retrieved from diffusion modeling in olivine: a 3D perspective. Am. Mineral. 100, 2026–2042 (2015). Google Scholar Dohmen, R. & Chakraborty, S. Fe–Mg diffusion in olivine II: point defect chemistry, change of diffusion mechanisms and a model for calculation of...