49 citations · 100 across the 16 of their papers we have counts for
16 papers
Contact angle of water on a model heterogeneous surface. A density functional approach
K. Dąbrowska, O. Pizio, S. Sokołowski
We use a density functional approach to calculate the contact angle of the water model on a heterogeneous, graphite-like surface. The surface heterogeneity results from the pre-ads…
Molecular Dynamic study of model two-dimensional systems involving Janus dumbbells and spherical particles
L. Baran, K. Dabrowska, W. Rzysko +1
We have performed an extensive constant temperature Molecular Dynamics study of two-dimensional systems involving Janus dumbbells and spherical particles. Janus dumbbells have been…
Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory
O. Pizio, S. Sokolowski, V. M. Trejos
We have explored the phase behavior of a set of water-like models in slit pores of nanoscopic dimensions. The interaction between water and pore walls mimics the graphite surface.…
Towards the description of water adsorption in slit-like nanochannels with grafted molecular brushes. Density functional theory
V. M. Trejos, M. Aguilar, S. Sokołowski +1
We have explored a model for adsorption of water into slit-like nanochannels with two walls chemically modified by grafted polymer layers forming brushes. A version of density func…
Effects of ion concentration and solvent composition on the properties of water-methanol solutions of NaCl. NPT molecular dynamics computer simulation results
M. Cruz Sanchez, J. Gujt, S. Sokolowski +1
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and other properties of a model solution consisting of NaCl salt dissolved in water…
Gelation of patchy gold nanoparticles decorated by liquid-crystalline ligands: computer simulation study
Jaroslav M. Ilnytskyi, Arsen Slyusarchuk, Stefan Sokolowski
We consider patchy gold nanoparticles decorated by liquid crystalline ligands. The cases of two, three, four and six symmetrically arranged patches of ligands are discussed, as wel…