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We develop a formally exact technique for obtaining steady-state distributions of non-interacting active Brownian particles in a variety of systems. Our technique draws on results from the theory of two-way diffusion equations to solve the…

Soft Condensed Matter · Physics 2017-04-06 Caleb G. Wagner , Michael F. Hagan , Aparna Baskaran

An overview of the author's papers on the new approach to the Brownian coagulation theory and its generalization to the diffusion-limited reaction rate theory is presented. The traditional diffusion approach of the Smoluchowski theory for…

Chemical Physics · Physics 2016-05-24 Mikhail S. Veshchunov

Steric or attractive interactions among reactants or between reactants and inert crowders can substantially influence the total rate of a diffusion-influenced reaction in the liquid phase. However, the role of the product species, that has…

Chemical Physics · Physics 2018-04-19 Rafael Roa , Toni Siegl , Won Kyu Kim , Joachim Dzubiella

An active Brownian particle is a minimal model for a self-propelled colloid in a dissipative environment. Experiments and simulations show that, in the presence of boundaries and obstacles, active Brownian particle systems approach…

Soft Condensed Matter · Physics 2024-01-17 Caleb G. Wagner , Michael F. Hagan , Aparna Baskaran

Stochastic reaction-diffusion models have become an important tool in studying how both noise in the chemical reaction process and the spatial movement of molecules influences the behavior of biological systems. There are two primary…

Analysis of PDEs · Mathematics 2013-04-23 Ikemefuna C. Agbanusi , Samuel A. Isaacson

Diffusion-limited reactions (DLR) are usually described within the Smoluchowski theory, which neglects interactions between the diffusing components. We propose a first extension of such frame- work that incorporates excluded-volume…

Statistical Mechanics · Physics 2010-11-24 N. Dorsaz , C. De Michele , F. Piazza , P. De Los Rios , G. Foffi

We show how the steady-state solution of the Smoluchowski (Fokker-Planck) equation for a color reaction-counterdiffusion problem, together with equilibrium trajectory information (e.g., from molecular simulations or confocal microscopy…

Chemical Physics · Physics 2014-07-30 James Carmer , Frank van Swol , Thomas M. Truskett

The Smoluchowski equation is a system of partial differential equations modelling the diffusion and binary coagulation of a large collection of tiny particles. The mass parameter may be indexed either by positive integers, or by positive…

Probability · Mathematics 2008-12-01 Mohammad Reza Yaghouti , Fraydoun Rezakhanlou , Alan Hammond

Starting from a microscopic model of self-propelled hard spheres we use tools of non-equilibrium statistical mechanics and the kinetic theory of hard spheres to derive a Smoluchowski equation for interacting Active Brownian particles. We…

Statistical Mechanics · Physics 2017-04-05 Benjamin Hancock , Aparna Baskaran

In many biological situations, a species arriving from a remote source diffuses in a domain confined between two parallel surfaces until it finds a binding partner. Since such a geometric shape falls in between two- and three-dimensional…

Chemical Physics · Physics 2019-11-05 Denis S. Grebenkov , Diego Krapf

In this paper, we investigate the effects of stochastic resetting on diffusion in $\R^d\backslash \calU$, where $\calU$ is a bounded obstacle with a partially absorbing surface $\partial \calU$. We begin by considering a Robin boundary…

Statistical Mechanics · Physics 2022-06-29 Paul C. Bressloff

Binary coagulation is an important process in aerosol dynamics by which two particles merge to form a larger one. The distribution of particle sizes over time may be described by the so-called Smoluchowski's coagulation equation. This…

Mathematical Physics · Physics 2021-06-25 Marina A. Ferreira

A self-consistent equation to derive a discreteness-induced stochastic steady state is presented for reaction-diffusion systems. For this formalism, we use the so-called Kuramoto length, a typical distance over which a molecule diffuses in…

Chemical Physics · Physics 2007-05-23 Yuichi Togashi , Kunihiko Kaneko

We consider an ideal gas of active Brownian particles that undergo self-propelled motion and both translational and rotational diffusion under the influence of gravity. We solve analytically the corresponding Smoluchowski equation in two…

Soft Condensed Matter · Physics 2018-03-02 Sophie Hermann , Matthias Schmidt

We developed an analytical theoretical method to determine the microscopical structure of weakly to moderately sheared colloidal suspensions in dilute conditions. The microstructure is described by the static structure factor, obtained by…

Soft Condensed Matter · Physics 2022-05-25 Simone Riva , Luca Banetta , Alessio Zaccone

In this paper we develop a hybrid version of the encounter-based approach to diffusion-mediated absorption at a reactive surface, which takes into account stochastic switching of a diffusing particle's conformational state. For simplicity,…

Statistical Mechanics · Physics 2022-09-21 Paul C. Bressloff

Diffusion behavior of Brownian particles in confined spaces was studied for the displacements notably shorter than the confinement size. The confinements, resembling structure of porous solids, were modeled using a spatially-varying…

Disordered Systems and Neural Networks · Physics 2016-11-24 Daniel Schneider , Rustem Valiullin , Nail Fatkullin

In 1917, Marian von Smoluchowski presented a simple mathematical description of diffusion-controlled reactions on the scale of individual molecules. His model postulated that a reaction would occur when two reactants were sufficiently close…

Quantitative Methods · Quantitative Biology 2015-11-17 Mark B. Flegg

Diffusion-limited association reactions are ubiquitous in nature. They are particularly important for biological reactions, where the reaction rates are often determined by the diffusive transport of the molecules on two-dimensional…

Soft Condensed Matter · Physics 2020-10-06 Sumantra Sarkar

Smoluchowski-type models for diffusion-influenced reactions (A+B -> C) can be formulated within two frameworks: the probabilistic-based approach for a pair A, B of reacting particles and the concentration-based approach for systems in…

Chemical Physics · Physics 2019-01-16 Mauricio J. del Razo , Hong Qian , Frank Noé
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