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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…
We review a dynamical approach to non-equilibrium MD (D-NEMD). We show how, using a proper simulation setup, is possible to treat interesting cases in which the initial condition is a stationary non-equilibrium state produced by a suitable…
The study of the shape of droplets on surfaces is an important problem in the physics of fluids and has applications in multiple industries, from agrichemical spraying to microfluidic devices. Motivated by these real-world applications,…
We derive a mathematical model for the motion of several insulating rigid bodies through an electrically conducting fluid. Starting from a universal model describing this phenomenon in generality, we elaborate (simplifying) physical…
We derive a Debye-H\"uckel-like model of the electric ion-ion interaction for non-constant dielectric susceptibility, which does not depend on any kind of charging process due to its foundation in the general framework of non-equilibrium…
Ion-conducting glasses and polymer systems show several characteristic peculiarities in their composition-dependent diffusion properties and in their dynamic response. First we give a brief review of the current understanding of the ion…
We propose a generalisation of molecular density functional theory to describe inhomogeneous solvent mixture, with the objective of modelling electrolytic solutions. Two electrolytic models are presented, both within the HNC approximation.…
Although aqueous electrolytes are among the most important solutions, the molecular simulation of their intertwined properties of chemical potentials, solubility and activity coefficients has remained a challenging problem, and has…
The asymptotic analysis of kinetic models describing the behavior of particles interacting through alignment is performed. We will analyze the asymptotic regime corresponding to large alignment frequency where the alignment effects are…
Diffusiophoresis is the spontaneous motion of particles under gradients of solutes. In electrolyte-driven diffusiophoresis, the zeta potential of the particles is an important surface property that characterizes diffusiophoretic mobility.…
When a gas in an externally imposed potential field is compressed, temperature gradients appear. This has been called the piezothermal effect. It is possible to analytically calculate the time-dependent behavior of the piezothermal effect…
The standard continuum model of a lithium-ion battery, the Doyle-Fuller-Newman (DFN) model, is computationally expensive to solve. Typically simpler models, such as the single particle model (SPM), are used to provide insight for control…
In this article we propose and investigate a hierarchy of mathematical models based on partial differential equations (PDE) and ordinary differential equations (ODE) for the simulation of the biophysical phenomena occurring in the…
In this paper the development of a physically consistent phase-field theory of solidification shrinkage is presented. The coarse-grained hydrodynamic equations are derived directly from the N-body Hamiltonian equations in the framework of…
We theoretically investigate an electric-field-driven system of charged spheres as a primitive model of concentrated electrolytes under an applied electric field. First, we provide a unified formulation for the stochastic charge and density…
We study conformational and electrophoretic properties of polyelectrolytes (PEs) in tetravalent salt solutions under the action of electric fields by means of molecular dynamics simulations. Chain conformations are found to have a sensitive…
We study various asymptotic approximations of Good's special functions arising in atomic physics. These special functions are situated beyond Anger's functions to which they are closely related. Our major tool is the method of the…
When a liquid drop spreads on an adaptive substrate the latter changes its properties what may result in an intricate coupled dynamics of drop and substrate. Here we present a generic mesoscale hydrodynamic model for such processes that is…
A physically consistent approach is considered for defining an external magnetic field as needed in computational fluid dynamics problems involving magnetohydrodynamics (MHD). The approach results in simple analytical formulae that can be…
A survey is given on the applications of hydrodynamic model of nucleus-nucleus collisons, focusing especially on i) the resolution of hydrodynamic equations for arbitrary configurations, by using the smoothed-particle hydrodynamic approach;…