相关论文: Reaction rates for a generalized reaction-diffusio…

We consider solvability of the generalized reaction-diffusion equation with both space- and time-dependent diffusion and reaction terms by means of the similarity method. By introducing the similarity variable, the reaction-diffusion…

We study a model for unimolecular reaction on a supported catalyst including reactant diffusion and desorption, using analytical methods and scaling concepts. For rapid reactions, enhancing surface diffusion or increasing particle size…

We consider stochastic reaction-diffusion equations on a finite network represented by a finite graph. On each edge in the graph a multiplicative cylindrical Gaussian noise driven reaction-diffusion equation is given supplemented by a…

We present two new quantum algorithms for reaction-diffusion equations that employ the truncated Chebyshev polynomial approximation. This method is employed to numerically solve the ordinary differential equation emerging from the…

We present a versatile open-source pipeline for simulating inhomogeneous reaction-diffusion processes in highly resolved, image-based geometries of porous media with reactive boundaries. Resolving realistic pore-scale geometries in…

Chemical reactions often proceed through the formation and the consumption of intermediate species. An example is the creation and subsequent degradation of the substrate-enzyme complexes in an enzymatic reaction. In this paper we provide a…

The concept of reaction extent (the progress of a reaction, advancement of the reaction, conversion, etc.) was introduced around 100 years ago. Most of the literature provides a definition for the exceptional case of a single reaction step…

We consider linear reaction-diffusion equations posed on unbounded domains, and discretized by adaptive Lagrange finite elements. To obtain finite-dimensional spaces, it is necessary to introduce a truncation boundary, whereby only a…

Moment approximation methods are gaining increasing attention for their use in the approximation of the stochastic kinetics of chemical reaction systems. In this paper we derive a general moment expansion method for any type of propensities…

Several different methods exist for efficient approximation of paths in multiscale stochastic chemical systems. Another approach is to use bursts of stochastic simulation to estimate the parameters of a stochastic differential equation…

In arXiv:2305.03945 [math.NA], a first-order optimization algorithm has been introduced to solve time-implicit schemes of reaction-diffusion equations. In this research, we conduct theoretical studies on this first-order algorithm equipped…

This paper aims at obtaining, by means of integral transforms, analytical approximations in short times of solutions to boundary value problems for the one-dimensional reaction-diffusion equation with constant coefficients. The general form…

We consider linear reaction--diffusion problems with mixed Diriclet-Neumann-Robin conditions. The diffusion matrix, reaction coefficient, and the coefficient in the Robin boundary condition are defined with an uncertainty which allow…

We derive guaranteed bounds of distance to the exact solution of the evolutionary reaction-diffusion problem with mixed Dirichlet-Neumann boundary condition. It is shown that two-sided error estimates are directly computable and equivalent…

Stochastic reaction networks are a fundamental model to describe interactions between species where random fluctuations are relevant. The master equation provides the evolution of the probability distribution across the discrete state space…

Multiple time scales problems are investigated by combining geometrical and analytical approaches. More precisely, for fast-slow reaction-diffusion systems, we first prove the existence of slow manifolds for the abstract problem under the…

Yeh and Hummer's simplified estimation method has often been adopted to obtain diffusion coefficients for solute molecules using molecular dynamic simulation. However, the simplified formula is not necessarily valid when a small basic cell…

We study the approximation of a multiscale reaction-diffusion system posed on both macroscopic and microscopic space scales. The coupling between the scales is done via micro-macro flux conditions. Our target system has a typical structure…

Reaction-diffusion equations are commonly used to model a diverse array of complex systems, including biological, chemical, and physical processes. Typically, these models are phenomenological, requiring the fitting of parameters to…

In this paper, we construct approximations of the microscopic solution of a nonlinear reaction--diffusion equation in a domain consisting of two bulk-domains, which are separated by a thin layer with a periodic heterogeneous structure. The…