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The implementation of boundary conditions is among the most challenging parts of modeling fluid flow through channels and complex media. Here, we show that the existing methods to deal with liquid-wall interactions using multicomponent…
In this paper we study the 3d frustrated lattice gas model in the annealed version, where the disorder is allowed to evolve in time with a suitable kinetic constraint. Although the model does not exhibit any thermodynamic transition it…
We investigate a minimal model for non-crystalline water, defined on a Husimi lattice. The peculiar random-regular nature of the lattice is meant to account for the formation of a random 4-coordinated hydrogen-bond network. The model turns…
We report Monte Carlo simulations of a lattice-polymer model that can account for both polymer crystallization and liquid-liquid demixing in solutions of semiflexible homopolymers. In our model, neighboring polymer segments can have…
Complex fluid-fluid interfaces featuring mesoscale structures with adsorbed particles are key components of newly designed materials which are continuously enriching the field of soft matter. Simulation tools which are able to cope with the…
In this paper we apply the global isomorphism approach [V.~L. Kulinskii, J. Phys. Chem. B \textbf{114} 2852 (2010)] between the Lennard-Jones fluids and Lattice Gas model to the study of the liquid-vapor equilibrium for the systems with the…
In the first part of the thesis we consider the constraints of causality and unitarity for particles interacting via strictly finite-range interactions. We generalize Wigner's causality bound to the case of non-vanishing partial-wave…
We present a theoretical study of wetting phenomena and interactions between liquid-vapor interfaces based on the density functional theory. The focus is mostly on the impact of long-range van der Waals interactions both within the fluid…
A partially-wetting liquid can deform the underlying elastic substrate upon which it rests. This situation requires the development of theoretical models to describe the wetting forces imparted by the drop onto the solid substrate,…
In a previous work, we investigated a two-dimensional lattice-fluid model, displaying some waterlike thermodynamic anomalies. The model, defined on a triangular lattice, is now extended to aqueous solutions with apolar species. Water…
Lattice models are crucial for studying thermodynamic properties in many physical, biological and chemical systems. We investigate Lattice Restricted Primitive Model (LRPM) of electrolytes with different discretization parameters in order…
We consider a model of lattice gas dynamics in the d-dimensional cubic lattice in the presence of disorder. If the particle interaction is only mutual exclusion and if the disorder field is given by i.i.d. bounded random variables, we prove…
The motion of a contact line is examined, and comparisons drawn, for a variety of models proposed in the literature. Pressure and stress behaviours at the contact line are examined in the prototype system of quasistatic spreading of a thin…
We introduce a numerical method for investigating interfacial flows coupled with frictional solid particles. Our method combines the lattice Boltzmann method (LBM) to model the dynamics of a two-component fluid and the discrete element…
In contrast to the commonly used lattice Boltzmann method, off-lattice Boltzmann methods decouple the velocity discretization from the underlying spatial grid, thus allowing for more efficient geometric representations of complex…
The hard square lattice gas model on a square lattice is known to undergo a continuous phase transition from a low density fluid-like phase to high density phase with columnar or smectic order. We estimate the critical activity $z_c$ by…
The interactions between a group of components are commonly studied in several areas of science (social science, biology, material science, complex dynamical systems, among others) using the methods of thermodynamics and statistical…
We present a two-dimensional lattice gas with anisotropic interactions which model the known properties of the surface reconstructions of CdTe and ZnSe. In constrast to an earlier publication [12], the formation of anion dimers is…
The injection of liquid fuel at supercritical pressures is a relevant topic in combustion, but usually overlooked. In the past, the wrong assumption whereby the liquid experiments a fast transition to a supercritical state was made, thus…
We study a one-dimensional model of interacting bosons on a lattice with two flat bands. Regular condensation is suppressed due to the absence of a well defined minimum in the single particle spectrum. We find that interactions stabilize a…