226 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Imperial College LondonGB19 papers
- University of Chemistry and Technology, PragueCZ15 papers
- Czech Academy of SciencesCZ10 papers
- Jan Evangelista Purkyně University in Ústí nad LabemCZ7 papers
- University of GuelphCA4 papers
- Ca' Foscari University of VeniceIT3 papers
- FZU ‒ Institute of Physics of the Academy of Sciences of the Czech RepublicCZ3 papers
- National Institute for Theoretical PhysicsZA3 papers
- Ontario Tech UniversityCA3 papers
- Universidad de ExtremaduraES3 papers
- Finnish Meteorological InstituteFI2 papers
- Loughborough UniversityGB2 papers
28 papers · 1 filter
First-order condensation and meniscus pinning in finite open wedges
Jiří Janek, Miriam Magočiová, Alexandr Malijevský
We study first-order condensation in finite open wedges using classical density functional theory (DFT) and compare the resulting microscopic phase behaviour with recent macroscopi…
Derjaguin-corrected Kelvin equation for finite open slits
Alexandr Malijevský
We formulate a Derjaguin-corrected Kelvin equation for phase transitions in finite open slits. In such pores, capillary condensation is modified by the finite wall length because t…
Beyond capillary condensation: Shear-induced bridging transitions in patterned slits
Alexandr Malijevský, Andrew O. Parry, Jiří Janek
We study the equilibrium phase behavior of a fluid confined in a slit made from two patterned walls. Shearing the walls frustrates the fluid, due to a competition between capillary…
Uniform distributions in nonuniform systems: Wall potentials generating constant density profiles in classical density functional theory
Jiří Janek, Alexandr Malijevský
We study the inverse problem of classical density functional theory for inhomogeneous fluids: finding the wall potential that produces a constant equilibrium density profile, i.e.,…
Complete Wetting and Drying at Sinusoidal Walls
Alexandr Malijevský, Martin Pospíšil, Miriam Magočiová +1
We investigate complete wetting and drying at sinusoidally corrugated solid walls, focusing on the effects of wall geometry and interaction range. Two distinct interaction models a…
Capillary condensation between parallel walls of unequal length
Alexandr Malijevský
We present a macroscopic theory of capillary condensation in slits formed by parallel walls of unequal length. Using the concept of an edge contact angle, we identify four distinct…
Three types of condensation in open wedges
Jiří Janek, Alexandr Malijevský
Condensation in linear wedges formed by semi-infinite walls is a well-established critical phenomenon characterized by the continuous growth of an adsorbed liquid layer as bulk two…
Phase behaviour of fluids in undulated nanopores
Martin Pospíšil, Alexandr Malijevský
The geometry of walls forming a narrow pore may qualitatively affect the phase behaviour of the confined fluid. Specifically, the nature of condensation in nanopores formed of sinu…
Critical effects and scaling at meniscus osculation transitions
A. O. Parry, Martin Pospíšil, A. Malijevský
We propose a simple scaling theory describing critical effects at rounded meniscus osculation transitions which occur when the Laplace radius of a condensed macroscopic drop of liq…
Meniscus osculation and adsorption on geometrically structured walls
Martin Pospíšil, Andrew. O. Parry, A. Malijevský
We study the adsorption of simple fluids at smoothly structured, completely wet, walls and show that a meniscus osculation transition occurs when the Laplace and geometrical radii…
Strain localization in planar shear of granular media: the role of porosity and boundary conditions
Stanislav Parez, Tereza Travnickova, Martin Svoboda +1
Shear strain localization into shear bands is associated with velocity weakening instabilities and earthquakes. Here, we simulate steady-state plane-shear flow of numerical granula…
Capillary Condensation and Depinning Transitions in Open Slits
Alexandr Malijevský, Andrew O. Parry
We study the low temperature phase equilibria of a fluid confined in an open capillary slit formed by two parallel walls separated by a distance which are in contact with a res…
Thermodynamic perturbation theory and equation of state developments
I. Nezbeda
An alternative way of utilizing the thermodynamic perturbation theory of Wertheim for the development of equations of state for associating fluid models is presented and detailed f…
Edge Contact Angle, Capillary Condensation, and Meniscus Depinning
Alexandr Malijevský, Andrew O. Parry
We study the phase equilibria of a fluid confined in an open capillary slit formed when a wall of finite length is brought a distance away from a second macroscopic surface…
Breaking Cassie's law for condensation in a nano-patterned slit
Martin Láska, Andrew O. Parry, Alexandr Malijevský
We study the phase transitions of a fluid confined in a capillary slit made from two adjacent walls each of which are a periodic composite of stripes of two different materials. Fo…
Recent Progress in Molecular Simulation of Aqueous Electrolytes: Force Fields, Chemical Potentials and Solubility
Ivo Nezbeda, Filip Moučka, William R. Smith
Although aqueous electrolytes are among the most important solutions, the molecular simulation of their intertwined properties of chemical potentials, solubility and activity coeff…
Orientational ordering and phase behaviour of a binary mixture of hard spheres and hard spherocylinders
Liang Wu, Alexandr Malijevský, George Jackson +2
We study structure and fluid-phase behaviour of a binary mixture of hard spheres (HSs) and hard spherocylinders (HSCs) in isotropic and nematic states using the ensemble M…
Bridging transitions for spheres and cylinders
Alexandr Malijevský, Andrew O. Parry
We study bridging transitions between spherically and cylindrically shaped particles (colloids) of radius separated by a distance that are dissolved in a bulk fluid (solven…
Application of molecular simulations: Insight into liquid bridging and jetting phenomena
I. Nezbeda, J. Jirsák, F. Moučka +1
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field wit…
Virial expansions and augmented van der Waals approach: Application to Lennard-Jones-like Yukawa fluid
A. Trokhymchuk, R. Melnyk, I. Nezbeda
We argue that recently proposed [Melnyk et al., Fluid Phase Equilibr., 2009, Vol. 279, 1] a criterion to split the pair interaction energy into two parts, one of which is forced to…
Sedimentation of a two-dimensional colloidal mixture exhibiting liquid-liquid and gas-liquid phase separation: a dynamical density functional theory study
Alexandr Malijevsky, Andrew J. Archer
We present dynamical density functional theory results for the time evolution of the density distribution of a sedimenting model two-dimensional binary mixture of colloids. The int…
Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension
Jose G. Sampayo, Alexandr Malijevsky, Erich A. Muller +2
Test area deformations are used to analyse vapour-liquid interfaces of Lennard-Jones particles by molecular dynamics simulation. For planar vapour-liquid interfaces the change in f…
Microscopic Density Functional Theory for Dendrimers
Alexandr Malijevsky
Density functional theory for a simple model of dendrimers is proposed. The theory is based on fundamental measure theory which accounts for the hard-sphere repulsion of the segmen…
A perspective on the interfacial properties of nanoscopic liquid drops
Alexandr Malijevsky, George Jackson
The structural and interfacial properties of a nanoscopic liquid drops are assessed by means of mechanical, thermodynamical, and statistical mechanical approaches that are discusse…