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Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…

Numerical Analysis · Mathematics 2009-03-06 Stefan Engblom , Lars Ferm , Andreas Hellander , Per Lötstedt

We introduce a one-dimensional stochastic system where particles perform independent diffusions and interact through pairwise coagulation events, which occur at a nontrivial rate upon collision. Under appropriate conditions on the diffusion…

Probability · Mathematics 2010-09-30 Inés Armendáriz

We consider a single-species diffusion-limited annihilation reaction with reactants confined to a two-dimensional surface with one arbitrarily large dimension and the other comparable in size to interparticle distances. This situation could…

Biomolecules · Quantitative Biology 2015-03-20 Aleksandr Kivenson , Michael F. Hagan

The kinetics of bimolecular reactions in solution depends, among other factors, on intermolecular forces such as steric repulsion or electrostatic interaction. Microscopically, a pair of molecules first has to meet by diffusion before the…

Soft Condensed Matter · Physics 2019-10-24 Manuel Dibak , Christoph Fröhner , Frank Noé , Felix Höfling

The classical models for irreversible diffusion-influenced reactions can be derived by introducing absorbing boundary conditions to over-damped continuous Brownian motion (BM) theory. As there is a clear corresponding stochastic process,…

Statistical Mechanics · Physics 2016-10-13 Mauricio J. Del Razo , Hong Qian

Traditional chemical kinetics may be inappropriate to describe chemical reactions in micro-domains involving only a small number of substrate and reactant molecules. Starting with the stochastic dynamics of the molecules, we derive a…

Mathematical Physics · Physics 2009-11-10 D. Holcman , Z. Schuss

Starting from the microscopic Smoluchowski equation for interacting Brownian particles under stationary shearing, exact expressions for shear-dependent steady-state averages, correlation and structure functions, and susceptibilities are…

Soft Condensed Matter · Physics 2009-11-11 Matthias Fuchs , Michael E. Cates

Background. The calculation of diffusion-controlled ligand binding rates is important for understanding enzyme mechanisms as well as designing enzyme inhibitors. We demonstrate the accuracy and effectiveness of a Lagrangian particle-based…

Biomolecules · Quantitative Biology 2016-05-17 Wenxiao Pan , Michael Daily , Nathan A. Baker

We consider the following second-order stochastic differential equation on $\mathbb{R}^{2d}$: \begin{equation*} dX_t^m=Y_t^mdt, \quad mdY_t^m=b(X_t^m)dt+\sigma(X_t^m)dB_t-Y^m_tdt, \end{equation*} where $X^m_t$ and $Y^m_t$ represent the…

Probability · Mathematics 2026-02-03 Shiyu Liu , Wei Liu , Lihu Xu

The strong friction regime at low temperatures is analyzed systematically starting from the formally exact path integral expression for the reduced dynamics. This quantum Smoluchowski regime allows for a type of semiclassical treatment in…

Statistical Mechanics · Physics 2010-08-03 Stefan A. Maier , Joachim Ankerhold

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.…

Numerical Analysis · Mathematics 2024-04-30 Yu Zhao , Zhennan Zhou

This study deals with continuous limits of interacting one-dimensional diffusive systems, arising from stochastic distortions of discrete curves with various kinds of coding representations. These systems are essentially of a…

Statistical Mechanics · Physics 2011-09-09 Guy Fayolle , Cyril Furtlehner

We study the dynamics of simple reactions where the chemical species are confined on a general, time-modulated surface, and subjected to externally-imposed stirring. The study of these inhomogeneous effects requires a model based on a…

Fluid Dynamics · Physics 2009-02-25 Khalid Kamhawi , Lennon Ó Náraigh

A particle with internal unobserved states diffusing in a force field will generally display effective advection-diffusion. The drift velocity is proportional to the mobility averaged over the internal states, or effective mobility, while…

Statistical Mechanics · Physics 2017-10-13 Erik Aurell , Stefano Bo

We consider a random model of diffusion and coagulation. A large number of small particles are randomly scattered at an initial time. Each particle has some integer mass and moves in a Brownian motion whose diffusion rate is determined by…

Probability · Mathematics 2012-08-21 Alan Hammond , Fraydoun Rezakhanlou

We employ a general spectral approach based on the Steklov eigenbasis to describe imperfect diffusion-controlled reactions on bounded reactive targets in three dimensions. The steady-state concentration and the total diffusive flux onto the…

Chemical Physics · Physics 2025-05-01 Denis S. Grebenkov

This article deals with the issues of global-in-time existence and asymptotic analysis of a fluid-particle interaction model in the so-called bubbling regime. The mixture occupies the physical space $\Omega \subset \mathbb{R}^3$ which may…

Analysis of PDEs · Mathematics 2010-06-16 Jose A. Carrillo , Trygve Karper , Konstantina Trivisa

We study kinetics of diffusion-limited catalytically-activated $A + B \to B$ reactions taking place in three dimensional systems, in which an annihilation of diffusive $A$ particles by diffusive traps $B$ may happen only if the encounter of…

Statistical Mechanics · Physics 2009-11-11 O. Bénichou , M. Coppey , M. Moerau , G. Oshanin

Dynamic phenomena in social and biological sciences can often be modeled by employing reaction-diffusion equations. When addressing the control of these modes, from a mathematical viewpoint one of the main challenges is that, because of the…

Optimization and Control · Mathematics 2020-06-02 Domènec Ruiz-Balet , Enrique Zuazua

We analyse a dynamic control problem for scalar reaction-diffusion equations, focusing on the emulation of pattern formation through the selection of appropriate active controls. While boundary controls alone prove inadequate for…

Optimization and Control · Mathematics 2024-07-26 Domènec Ruiz-Balet , Enrique Zuazua