Energetic Characteristics of Hydrophobic Porous Materials as Candidates for Manufacturing of Nanorockets.

A new propulsion mechanism for nano- and microrocket engines is hypothesized. It is based on the instantaneous expulsion from hydrophobic nanopores triggered by irradiation from electromagnetic microwaves, ultrasound, or sudden pressure release. A large energy output is needed for the propulsion of a nanoparticle, and the value can be determined experimentally and by means of atomistic simulations.

Evaluation of Evaporation Fluxes for Pesticides and Low Volatile Hazardous Materials Based on Evaporation Kinetics of Net Liquids.

Evaporation is the phase transition process that plays a significant role in many spheres of life and science. Volatilization of hazardous materials, pesticides, petroleum spills, etc., impacts the environment and biosphere.

Spontaneous Dipole Reorientation in Confined Water and Its Effect on Wetting/Dewetting of Hydrophobic Nanopores.

The properties of nanoconfined fluids are important for a broad range of natural and engineering systems. In particular, wetting/dewetting of hydrophobic nanoporous materials is crucial due to their broad applicability for molecular separation and liquid purification; energy storage, conversion, recuperation, and dissipation; for catalysis, chromatography, and so on. In this work, a rapid, orchestrated, and spontaneous dipole reorientation was observed in hydrophobic nanotubes of various pore sizes (7.

Effect of the Topology on Wetting and Drying of Hydrophobic Porous Materials.

Establishing molecular mechanisms of wetting and drying of hydrophobic porous materials is a general problem for science and technology within the subcategories of the theory of liquids, chromatography, nanofluidics, energy storage, recuperation, and dissipation. In this article, we demonstrate a new way to tackle this problem by exploring the effect of the topology of pure silica nanoparticles, nanotubes, and zeolites. Using molecular dynamics simulations, we show how secondary porosity promotes the intrusion of water into micropores and affects the hydrophobicity of materials.

Subnanometer Topological Tuning of the Liquid Intrusion/Extrusion Characteristics of Hydrophobic Micropores.

Intrusion (wetting)/extrusion (drying) of liquids in/from lyophobic nanoporous systems is key in many fields, including chromatography, nanofluidics, biology, and energy materials. Here we demonstrate that secondary topological features decorating main channels of porous systems dramatically affect the intrusion/extrusion cycle. These secondary features, allowing an unexpected bridging with liquid in the surrounding domains, stabilize the water stream intruding a micropore.

Molecular dynamics investigation of the transient regime in the freezing of salt clusters.

Molecular dynamics (MD) investigations of the freezing of supercooled liquids can identify nuclei far smaller than can be detected in laboratory experiments, to date, and consequently can provide information about nucleation so far inaccessible to experiment. In a recent MD study of the freezing of clusters of SeF6, a new method of recording nucleation events was introduced. It involved the observation of times of first appearance of nuclei of the size of n.