Related papers: A Lagrangian Method for Reactive Transport with So…
We study a system of interacting particles in a periodically moving external potential, within the simplest possible description of paradigmatic symmetric exclusion process on a ring. The model describes diffusion of hardcore particles…
In this paper, we develop a generalized hybrid method for both two-dimensional (2-D) and three-dimensional (3-D) surfactant dynamics. While the Navier-Stokes equations are solved by the Eulerian method, the surfactant transport is tracked…
A variation principle for mass transport in solids is derived that recasts transport coefficients as minima of local thermodynamic average quantities. The result is independent of diffusion mechanism, and applies to amorphous and…
In order to understand how the chemical and isotopic compositions of dust grains in a gaseous turbulent protoplanetary disk are altered during their journey in the disk, it is important to determine their individual trajectories. We study…
This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…
Reaction-diffusion equations are widely used as the governing evolution equations for modeling many physical, chemical, and biological processes. Here we derive reaction-diffusion equations to model transport with reactions on a…
Historically, the dominant conceptual paradigm of porous media flow, solute mixing and transport was based on steady two-dimensional flows in heterogeneous porous media. Although it is now well recognised that novel transport phenomena can…
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…
The problem of mass diffusion in layered systems has relevance to applications in different scientific disciplines, e.g., chemistry, material science, soil science, and biomedical engineering. The mathematical challenge in these type of…
We present a robust and efficient method for simulating Lagrangian solid-fluid coupling based on a new operator splitting strategy. We use variational formulations to approximate fluid properties and solid-fluid interactions, and introduce…
We show how the nonlinear interaction effects `volume filling' and `adhesion' can be incorporated into the fractional subdiffusive transport of cells and individual organisms. To this end, we use microscopic random walk models with…
Porous and heterogeneous materials are found in many applications from composites, membranes, chemical reactors, and other engineered materials to biological matter and natural subsurface structures. In this work we propose an integrated…
The replica exchange method is a powerful tool for overcoming slow relaxation in molecular simulations, but its efficiency depends strongly on the choice of the number and interval of replicas and their exchange probabilities. Here, we…
A temporal complex network-based approach is proposed as a novel formulation to investigate turbulent mixing from a Lagrangian viewpoint. By exploiting a spatial proximity criterion, the dynamics of a set of fluid particles is geometrized…
We describe a new model for image propagation through open air in the presence of changes in the index of refraction (e.g. due to turbulence) using the theory of optimal transport. We describe the relationship between photon density, or…
Multicomponent multiphase reactive transport processes with dissolution-precipitation are widely encountered in energy and environment systems. A pore-scale two-phase multi-mixture model based on the lattice Boltzmann method (LBM) is…
This paper proposes a diffuse-interface model for simulating gas-liquid-solid multiphase flows involving solid-liquid phase change, solute transport, and the Marangoni effect. In this model, a phase-field method is employed to capture the…
Modeling reactive transport in porous media, using a local chemical equilibrium assumption, leads to a system of advection-diffusion PDE's coupled with algebraic equations. When solving this coupled system, the algebraic equations have to…
We consider the spreading dynamics of some insoluble surface-active species along an aqueous interface. The model includes both diffusion, Marangoni convection and first-order reaction kinetics. An exact solution of the nonlinear transport…
We show that the Turing patterns in reaction systems with subdiffusion can be replicated in an effective system with Markovian cross-diffusion. The effective system has the same Turing instability as the original system, and the same…