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In this paper we investigate, both analytically and numerically, the emergence of a kinetic glass transition in two different model systems: a uniformly heated granular gas and a molecular fluid with nonlinear drag. Despite the profound…

Soft Condensed Matter · Physics 2024-04-25 A. Patrón , B. Sánchez-Rey , A. Prados

The work is presented, leading to the universal contact molecular mechanism of phase transitions and other reactions in solid state. The two components of the mechanism - nucleation and interface propagation - are investigated in detail and…

General Physics · Physics 2011-10-11 Yuri Mnyukh

The local balance equations for the density, momentum, and energy of a dilute gas of elastic or inelastic hard spheres, strongly confined between two parallel hard plates are obtained. The starting point is a Boltzmann-like kinetic…

Statistical Mechanics · Physics 2020-04-22 J. Javier Brey , P. Maynar , M. I. García de Soria

We consider a non reactive multi component gas mixture.We propose a class of models, which can be easily generalized to multiple species. The two species mixture is modelled by a system of kinetic BGK equations featuring two interaction…

Analysis of PDEs · Mathematics 2018-06-26 Christian Klingenberg , Marlies Pirner , Gabriella Puppo

Based on our experience in kinetic modeling of coupled multiple metabolic pathways we propose a generic rate equation for the dynamical modeling of metabolic kinetics. Its symmetric form makes the kinetic parameters (or functions) easy to…

Molecular Networks · Quantitative Biology 2007-12-18 L. W. Lee , L. Yin , X. M. Zhu , P. Ao

An interface description and numerical simulations of model A kinetics are used for the first time to investigate the intra-surface kinetics of phase ordering on corrugated surfaces. Geometrical dynamical equations are derived for the…

Statistical Mechanics · Physics 2015-06-25 Oliver Schoenborn , Rashmi C. Desai

The macroscopic behavior of the solution of a coupled system of partial differential equations arising in the modeling of reaction-diffusion processes in periodic porous media is analyzed. Our mathematical model can be used for studying…

Analysis of PDEs · Mathematics 2019-06-19 G. Cardone , C. Perugia , C. Timofte

The generalized transport equations for a consistent description of kinetic and hydrodynamic processes in dense gases and liquids are considered. The inner structure of the generalized transport kernels for these equations is established.…

Statistical Mechanics · Physics 2015-06-16 B. Markiv , I. Omelyan , M. Tokarchuk

We present a detailed theory for the total reaction rate constant of a composite core-shell nanoreactor, consisting of a central solid core surrounded by a hydrogel layer of variable thickness, where a given number of small catalytic…

We consider a mathematical model for heterogeneous catalysis in a finite three-dimensional pore of cylinder-like geometry, with the lateral walls acting as a catalytic surface. The system under consideration consists of a…

Analysis of PDEs · Mathematics 2017-08-29 Dieter Bothe , Matthias Köhne , Siegfried Maier , Jürgen Saal

We study the evolution of fronts in a bistable reaction-diffusion system when the nonlinear reaction term is spatially non-homogeneous. This equation has been used to model wave propagation in various biological systems. Extending previous…

Pattern Formation and Solitons · Physics 2009-10-31 Horacio G. Rotstein , Anatol M. Zhabotinsky , Irving R. Epstein

The shrinking core model describes the reaction of a spherical solid particle with a surrounding fluid. In this work, we revisit the SCM by deriving it from the underlying physical processes and performing a careful non-dimensionalisation,…

Other Condensed Matter · Physics 2025-08-05 Cristian Moreno-Pulido , Rachael Olwande , Tim Myers , Francesc Font

A recombination reaction model for high-temperature chemical kinetics is derived from ab initio simulations data. A kinetic recombination rate model is derived using a recently developed ab initio state-specific dissociation model and the…

Chemical Physics · Physics 2020-09-15 Narendra Singh , Thomas Schwartzentruber

Numerical heat and mass transfer analysis of a configuration where a cool liquid hydrocarbon is suddenly introduced to a hotter gas at supercritical pressure shows that a well-defined phase equilibrium can be established before substantial…

Fluid Dynamics · Physics 2022-04-25 Jordi Poblador-Ibanez , William A. Sirignano

We consider a kinetic model, which describes the sedimentation of rod-like particles in dilute suspensions under the influence of gravity. This model has recently been derived by Helzel and Tzavaras in \cite{HT2015}. Here we restrict our…

Fluid Dynamics · Physics 2017-03-09 Christiane Helzel , Athanasios E. Tzavaras

A kinetic model for granular mixtures is considered to study three different non-equilibrium situations. The model is based on the equivalence between a gas of elastic hard spheres subjected to a drag force proportional to the particle…

Soft Condensed Matter · Physics 2025-02-27 Pablo Avilés , David González Méndez , Vicente Garzó

The kinetics of dissolution of an amorphous solid is studied using a simple model of a glass that captures with reasonable accuracy the dynamic heterogeneities associated with the relaxation of an amorphous material at low temperatures. The…

Soft Condensed Matter · Physics 2018-01-31 Ian Douglass , Peter Harrowell

The long time behavior of a model for a first order, weakly reversible chemical reaction network is considered, where the movement of the reacting species is described by kinetic transport. The reactions are triggered by collisions with a…

Analysis of PDEs · Mathematics 2020-02-18 Gianluca Favre , Christian Schmeiser

A general adsorption model is developed to describe the interactions between near-wall fluid molecules and solid surface. This model serves as a framework for the theoretical modelling of the boundary slip phenomena. Based on this…

Soft Condensed Matter · Physics 2016-12-26 Jian-Jun Shu , Ji Bin Melvin Teo , Weng Kong Chan

We consider a multi component mixture of inert gas in the kinetic regime by assuming that the total number of particles of each species remains constant. In this article we shall illustrate our model for the case of two species. To account…

Analysis of PDEs · Mathematics 2018-10-23 Christian Klingenberg , Marlies Pirner , Gabriella Puppo