相关论文: Water Evaporation: A Transition Path Sampling Stud…

Even though the phenomenon of evaporation is omnipresent and has immense scientific and technological importance, the research effort to unveil its fundamentals remains inadequately low. As one particular consequence, the textbooks and…

Dewetting of liquid films on solid surfaces in the presence of evaporation is a common phenomenon and has been studied by many researchers. The previous numerical approach has revealed that evaporation accelerates the dewetting speed of the…

The interface between liquid water and the Pt(111) metal surface is characterized structurally and thermodynamically via reactive molecular dynamics (MD) simulations within the ReaxFF framework. The formation of a distinct buckled adsorbate…

Molecular dynamics simulations are used to study the behavior of closely-fitting spherical and ellipsoidal particles moving through a fluid-filled cylinder at nanometer scales. The particle, the cylinder wall and the fluid solvent are all…

We critically analyze the possibility of finding signatures of a phase transition by looking exclusively at static quantities of statistical systems, like e.g., the topology of potential energy sub-manifolds (PES). This topological…

In this work, the van der Waals fluid model, a diffuse-interface model for liquid-vapor two-phase flows, is numerically investigated. The thermodynamic properties of the van der Waals fluid are first studied. Dimensional analysis is…

The theory of solute transfer and deposit growth in evaporating sessile drops on a plane substrate is presented. The main ideas and the principal equations are formulated. The problem is solved analytically for two important geometries:…

Estimations of evaporation field values in atom probe tomography (APT) literature are sparse despite their importance in the reconstruction and data analysis process. This work describes a straightforward method for estimating the…

We investigate the dynamics of the extended simple point charge (SPC/E) model of water in the supercooled region. The dynamics at negative pressures show a minimum in the diffusion constant $D$ when the density is decreased at constant…

We study steady-state evaporation in an atom guide via Monte Carlo simulations. The evaporation surface follows a specific profile as a function of longitudinal guide location. We demonstrate that the choice of evaporation profile…

Molecular dynamics simulations of SPC/E water confined in a Silica pore are presented. The simulations have been performed at different hydration levels and temperatures to study the single-particle dynamics. Due to the confinement and to…

Evaporating droplets and films are used in applications from different fields. Various methods of evaporative self-assembly are of particular interest. The paper describes a mathematical model of mass transfer in a droplet drying on a…

We present a Molecular Dynamics study of the single particle dynamics of supercooled water confined in a silica pore. Two dynamical regimes are found: close to the hydrophilic substrate molecules are below the Mode Coupling crossover…

Using molecular dynamics simulations, we study the motion of a closely fitting nanometer-size solid sphere in a fluid-filled cylindrical nanochannel at low Reynolds numbers and for a wide range of fluid-solid interactions corresponding to…

Liquid dropout and retention in gas-condensate reservoirs, specially in the near wellbore region, obstruct gas flowing paths and impact negatively the produced fluid volume and composition. Yet, condensate banking forecasting is commonly…

The interface between a pure liquid and its vapor is usually close to saturation temperature, hence strongly hindering any thermocapillary flow. In contrast, when the gas phase contains an inert gas such as air, surface-tension-driven…

Molecular dynamics simulations with separate thermostats for rotational and translational motions were used to study the effects of these degrees of freedom on the structure of water at a fixed density. To describe water molecules, we used…

The statistically steady humidity distribution resulting from an interaction of advection, modeled as an uncorrelated random walk of moist parcels on an isentropic surface, and a vapour sink, modeled as immediate condensation whenever the…

Isothermal-isobaric molecular dynamics simulations have been performed to examine a broad set of properties of the model water-1,2-dimethoxyethane (DME) mixture as a function of composition. The SPC-E and TIP4P-Ew water models and the…

We study the governing equations for the motion of the fluid particles near air-water interface from an energetic point of view. Since evaporation and condensation phenomena occur at the interface, we have to consider phase transition. This…