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In diffusion-controlled drug delivery, it is possible for drug molecules to bind to the carrier material and never be released. A common way to incorporate this phenomenon into the governing mechanistic model is to include an irreversible…

Medical Physics · Physics 2024-01-19 Elliot J. Carr

In this work we present a model reduction procedure to derive a hybrid-dimensional framework for the mathematical modeling of reactive transport in fractured porous media. Fractures are essential pathways in the underground which allow fast…

Numerical Analysis · Mathematics 2020-01-16 Alessio Fumagalli , Anna Scotti

This paper deals with the solution of unified fractional reaction-diffusion systems. The results are obtained in compact and elegant forms in terms of Mittag-Leffler functions and generalized Mittag-Leffler functions, which are suitable for…

Classical Analysis and ODEs · Mathematics 2014-09-11 R. K. Saxena , A. M. Mathai , H. J. Haubold

Reaction dynamics involving subdiffusive species is an interesting topic with only few known results, especially when the motion of different species is characterized by different anomalous diffusion exponents. Here we study the reaction…

Soft Condensed Matter · Physics 2009-11-11 S. B. Yuste , Katja Lindenberg

The large-scale properties of chemical reaction systems, such as the metabolism, can be studied with graph-based methods. To do this, one needs to reduce the information -- lists of chemical reactions -- available in databases. Even for the…

Molecular Networks · Quantitative Biology 2009-09-25 Petter Holme

Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect…

Materials Science · Physics 2014-07-28 Jani Kotakoski , Clemens Mangler , Jannik C. Meyer

We consider in this paper a solvable model for the motion of molecular motors. Based on the averaging principle, we reduce the problem to a diffusion process on a graph. We then calculate the effective speed of transportation of these…

Probability · Mathematics 2013-06-11 Mark Freidlin , Wenqing Hu

Reaction-diffusion processes in two-dimensional percolating structures are investigated. Two different problems are addressed: reaction spreading on a percolating cluster and front propagation through a percolating channel. For reaction…

Statistical Mechanics · Physics 2013-07-01 Federico Bianco , Sergio Chibbaro , Davide Vergni , Angelo Vulpiani

We survey recent results on reaction-diffusion equations with discontinuous hysteretic nonlinearities. We connect these equations with free boundary problems and introduce a related notion of spatial transversality for initial data and…

Analysis of PDEs · Mathematics 2015-08-11 Mark Curran , Pavel Gurevich , Sergey Tikhomirov

Finding representative reaction pathways is necessary for understanding mechanisms of molecular processes, but is considered to be extremely challenging. We propose a new method to construct reaction paths based on mean first-passage times.…

Chemical Physics · Physics 2015-06-26 Sanghyun Park , Klaus Schulten

The periodic Lorentz gas is a paradigmatic model to examine how macroscopic transport emerges from microscopic chaos. It consists of a triangular lattice of circular hard scatterers with a moving point particle. Recently this system became…

Statistical Mechanics · Physics 2019-05-30 S. Gil-Gallegos , R. Klages , J. Solanpää , E. Räsänen

{\bf Purpose}: To develop a geometry-governed diffusion framework that explains differential tissue response under FLASH ultra-high dose rate (UHDR) irradiation by explicitly accounting for structural heterogeneity and anomalous transport…

Medical Physics · Physics 2026-04-20 Neda Valizadeh , Robabeh Rahimi , Ramin Abolfath

Inspired by the recent developments in modeling and analysis of reaction networks, we provide a geometric formulation of the reversible reaction networks under the influence of diffusion. Using the graph knowledge of the underlying reaction…

Systems and Control · Computer Science 2012-12-21 Marko Seslija , Arjan van der Schaft , Jacquelien M. A. Scherpen

We investigate a class of diffusion-controlled reactions that are initiated at the time instance when a prescribed number $K$ among $N$ particles independently diffusing in a solvent are simultaneously bound to a target region. In the…

Chemical Physics · Physics 2023-10-17 Denis S. Grebenkov , Aanjaneya Kumar

The paper treats a reaction-diffusion equation with hysteretic nonlinearity on a one-dimensional lattice. It arises as a result of the spatial discretization of the corresponding continuous model with so-called nontransverse initial data…

Analysis of PDEs · Mathematics 2016-01-22 Pavel Gurevich , Sergey Tikhomirov

In this paper we present a mathematical model and a numerical workflow for the simulation of a thermal single-phase flow with reactive transport in porous media, in the presence of fractures. The latter are thin regions which might behave…

Numerical Analysis · Mathematics 2021-03-17 Alessio Fumagalli , Anna Scotti

The trend to equilibrium for reaction-diffusion systems modelling chemical reaction networks is investigated, in the case when reaction processes happen on subsets of the domain. We prove the convergence to equilibrium by directly showing…

Analysis of PDEs · Mathematics 2024-12-17 Laurent Desvillettes , Kim Dang Phung , Bao Quoc Tang

Many chemical reactions can be formulated in terms of particle diffusion in a complex energy landscape. Transition path theory (TPT) is a theoretical framework for describing the direct (reaction) pathways from reactant to product states…

Statistical Mechanics · Physics 2023-10-03 Paul C Bressloff

We investigate a diffusion process in heterogeneous media where particles stochastically reset to their initial positions at a constant rate. The heterogeneous media is modeled using a spatial-dependent diffusion coefficient with a…

Statistical Mechanics · Physics 2022-01-17 M. K. Lenzi , E. K. Lenzi , L. M. S. Guilherme , L. R. Evangelista , H. V. Ribeiro

We study the asymptotic behaviour of a system of nonlinear reaction--diffusion--advection equations in a domain consisting of two bulk regions connected via microscopic channels distributed within a thin membrane. Both the width of the…

Analysis of PDEs · Mathematics 2025-12-15 Lucas M. Fix , Gianna Götzmann , Malte A. Peter , Jan-F. Pietschmann
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