Related papers: Where the linearized Poisson-Boltzmann cell model …
We consider the kinetic theory of a three-dimensional fluid of weakly interacting bosons in a non-equilibrium state which includes both normal fluid and a condensate. More precisely, we look at the previously postulated nonlinear…
In this paper, we present a parallel higher-order boundary integral method to solve the linear Poisson-Boltzmann (PB) equation. In our method, a well-posed boundary integral formulation is used to ensure the fast convergence of Krylov…
Room temperature ionic liquids are attractive to numerous applications and particularly, to renewable energy devices. As solvent free electrolytes, they demonstrate a paramount connection between the material morphology and Coulombic…
An extension of the renormalized Jellium model which allows to study colloidal suspensions containing trivalent counterions is proposed. The theory is based on a modified Poisson-Boltzmann equation which incorporates the effects of…
We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized Poisson Boltzmann equation, for molecules represented as non-overlapping spherical cavities.…
Classical theory of the electric double layer is based on the fundamental assumption of a dilute solution of point ions. There are a number of situations such as high applied voltages, high concentration of electrolytes, systems with…
In this article, I summarize my theoretical developments in the statistical field theory of salt solutions of zwitterionic and multipolar molecules. Based on the Hubbard-Stratonovich integral transformation, I represent configuration…
Porous electrodes are widely used in electrochemical systems, where accurately determining electric potentials, particularly overpotentials, is essential for understanding electrode behavior. At the macroscopic scale, porous electrodes are…
To accurately model the electron density and polarization, a polarizable multipole (PM) model using the AMOEBA force field has been introduced \cite{Ren:2003, Shi:2013} recently. In the AMOEBA force field, the traditional point atomic…
We introduce a renormalized Jellium model to calculate the equation of state for charged colloidal suspensions. An almost perfect agreement with Monte Carlo simulations is found. Our self-consistent approach naturally allows to define the…
The Blackstock-Crighton equation models nonlinear acoustic wave propagation in thermo-viscous fluids. In the present work we investigate the associated inhomogeneous Dirichlet and Neumann boundary value problems in a bounded domain and…
This paper is concerned with the analysis of a mathematical model arising in plasma physics, more specifically in fusion research. It directly follows \cite{DHK1}, where the tri-dimensional analysis of a Vlasov-Poisson equation with finite…
At higher altitudes, for high temperature gases, for instance near space shuttles moving at hypersonic speed, not only mechanical collisions are affecting the gas flow, but also chemical reactions have an impact on such hypersonic flows. In…
We numerically solve the non-linear Poisson-Boltzmann equation for two cylinders confined by two parallel charged plates. The repulsive electrical double layer component of the cylinder pair potential is substantially reduced by confinement…
A novel electromagnetic particle-in-cell algorithm has been developed for fully kinetic plasma simulations on unstructured (irregular) meshes in complex body-of-revolution geometries. The algorithm, implemented in the BORPIC++ code,…
This work introduces a sticky-charge wall model as a simple and intuitive representation of charge regulation. Implemented within the mean-field level of description, the model modifies the boundary conditions without affecting the…
We study the charging dynamics of a long electrolyte-filled slit pore in response to a suddenly applied potential. In particular, we analytically solve the Poisson-Nernst-Planck (PNP) equations for a pore for which $\lambda_D\ll H\ll L$,…
We associate a coupled nonlinear Fokker-Planck equation on $\R^d$, i.e. with solution paths in $\scr P$, to a linear Fokker-Planck equation for probability measures on the product space $\R^d\times \scr P$, i.e. with solution paths in $\scr…
We reformulate the theory of strong electrostatic coupling in order to describe an asymmetric electrolyte solution of monovalent salt ions and polyvalent counterions using field-theoretical techniques and Monte-Carlo simulations. The theory…
We give a geometric formulation of the Fokker-Planck-Kramer equations for a particle moving on a Lie algebra under the influence of a dissipative and a random force. Special cases of interest are fluid mechanics, the Stochastic Loewner…