In solid-liquid systems, macroscopic solids lose their equilibrium and melt in a manner that results in overall movement of the solid-liquid interface. This phenomenon occurs when they are subjected to temperature gradients or external stress, for example. However, many experiments suggest that the melting of nano- and micro-sized metallic nuclei follows a different process not described by tra...

The equilibrium morphology of liquid drops exposed to geometric constraints can be rather complex. Even for simple geometries, analytical solutions are scarce. Here, we investigate the equilibrium shape and position of liquid drops confined in the wedge between two solid surfaces at an angle α. Using electrowetting, we control the contact angle and thereby manipulate the shape and the equilibri...

In this work a new mathematical model, based on non-equilibrium conditions, describing the dynamic adsorption of proteins in columns packed with spherical adsorbent particles is used to study the performance of chromatographic systems. Simulations of frontal chromatography, including axial dispersion, for non-equilibrium systems with non-linear adsorption isotherms are made and compared to thos...

Distribution coefficients (K(d) values) describe contaminant partitioning between liquids and solids for linear sorption at equilibrium conditions. If experimentally-determined K(d) values do not represent sorption equilibria, errors are introduced in contaminant transport models. These errors may be further propagated when K(d) values are used to compare contaminant mobility under different ch...

Using dynamical density functional theory we calculate the speed of solidification fronts advancing into a quenched two-dimensional model fluid of soft-core particles. We find that solidification fronts can advance via two different mechanisms, depending on the depth of the quench. For shallow quenches, the front propagation is via a nonlinear mechanism. For deep quenches, front propagation is ...

In this paper, the liquid-vapour-solid system near triple-phase contact line in a microchannel heat sink is studied numerically. Molecular dynamics (MD) method is employed aiming to get a microscopic insight into the complex liquid-vapour-solid system. In the present model, the Lennard-Jones potential is applied to mono-atomic molecules of argon as liquid and vapour, and platinum as solid subst...

In this work is examined whether it is possible to predict solid-liquid-vapor phase equilibrium of ternary systems used in the SAS processing by the Peng-Robinson equation of state coupled with the LCVM mixing rules and the UNIFAC method for excess Gibbs free energy calculation. The enthalpy of fusion and the melting point temperature are estimated by group contribution methods. The results sho...

The aim of this study is to identify the best available inter-atomic potentials for molecular dynamics (MD) calculation of solidification of iron and then to use the best potential to calculate thermodynamic properties such as equilibrium melting temperature, enthalpy, heat capacity and solid-liquid interfacial free energy. Our study reveals that embedded atom method (EAM) potential developed b...