Partial Molar Volumes of Aqua Ions from First Principles

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The nonlinear decay of oscillations of a liquid column in a U-shaped tube is investigated within the theoretical framework of the projection method formalized by Bongarzone et al. [Chaos 31, 123124 (2021)]. Starting from the full hydrodynamic system supple ...

In aqueous solutions, a charged surface causes the redistribution of nearby ions. The ion layers formed are known as the electrical double layer (EDL), and are widespread in many systems involving electrochemistry, colloidal science, biomedicine, and energ ...

Sorption of mercury (Hg) in soils is suggested to be predominantly associated with organic matter (OM). However, there is a growing collection of research that suggests that clay minerals and oxides are also important solid phases for the sorption of solu ...

Stabilizing liquid-liquid interfaces, whether between miscible or immiscible liquids, is crucial for a wide range of applications, including energy storage, microreactors, and biomimetic structures. In this study, a versatile approach for stabilizing the w ...

Many natural and industrial processes involve fluid flow at a three phase interface between liquid, solid and gas. When the liquid is forced to move rapidly over the solid surface, the physical mechanisms governing contact line motions are multi-phase and ...

Cavitation bubbles, extensively investigated in fluid mechanics, present enduring challenges in hydraulic machinery, while holding considerable potential for practical applications in biomedicine and sonochemistry. Despite more than a century of research, ...

Molecular dynamics (MD) simulations have emerged as a transformative approach to analyse molecular systems at the atomic level, offering valuable insights into complex biological processes. Many biological phenomena can only accurately be described by inco ...

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Precise packaging of nanoliter amounts of liquid in a microsystem is important for many biomedical applications. However, existing liquid encapsulation technologies have limitations in terms of liquid waste, evaporation, trapped bubbles, and liquid degrada ...

The availability of a reliable and sufficient amount of water constitutes one of the Sustainable Development Goals set by the United Nations. The provision of water is still challenging in many regions of the world, especially in arid and semi-arid regions ...

Polarimetric angle-resolved second-harmonic scattering (AR-SHS) is an all-optical tool enabling the study of unlabeled interfaces of nano-sized particles in an aqueous solution. As the second harmonic signal is modulated by interference between nonlinear c ...

The geometry of biomolecules isolated in the gas phaseusuallydiffers substantially from their native structures in aqueous solution,which are the only ones truly relevant to life science. To connectthe high resolution of cold ion spectroscopy that can be a ...

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics ...

This thesis is a detailed description of three experimental investigations on aqueous interfaces. All projects made use of the microjet technology or the more recently developed flat-jet technique which enables the implementation of liquid water in vacuum ...

We model, via classical molecular dynamics simulations, the plastic phase of ice VII across a wide range of the phase diagram of interest for planetary investigations. Although structural and dynamical properties of plastic ice VII are mostly independent o ...

In the nanoscale regime, flow behaviors for liquids show qualitative deviations from bulk expectations. In this work, we reveal by molecular dynamics simulations that plug flow down to nanoscale induces molecular friction that leads to a new flow structure ...

Laser polishing (LP) is a process that allows a significant reduction of the surface roughness of a metal workpiece via re-melting a shallow layer of material. However, the practical use of LP is limited due to the difficulty of satisfying the high surface ...

We present chemical kinetics measurements of the luminol oxidation chemiluminescence (CL) reaction at the interface between two aqueous solutions, using liquid jet technology. Free-flowing liquid microjets are a relatively recent development that have foun ...

Experimental studies suggest that the fracture toughness of rocks increases with the confining pressure. Among many methods to quantify this dependency, a so-called burst experiment (Abou-Sayed, 1978) may be the most widely applied in practice. Its thick w ...

We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved solvent hydrodyna ...

Partial Molar Volumes of Aqua Ions from First Principles

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Stick-slip-to-stick transition of liquid oscillations in a U-shaped tube

Second harmonic scattering of nanoparticles: A journey into the electrical double layer

Organic matters, but inorganic matters too: column examination of elevated mercury sorption on low organic matter aquifer material using concentrations and stable isotope ratios

A Versatile Approach to Stabilize Liquid-Liquid Interfaces using Surfactant Self-Assembly

Wetting Dynamics Beneath an Impacting Droplet

The influence of the gas on the dynamics of cavitation bubbles

Advancing first principle-based molecular dynamics of biological systems with machine learning

Many-body screening effects in liquid water

Nanoliter Liquid Packaging in a Bioresorbable Microsystem by Additive Manufacturing and its Application as a Controlled Drug Delivery Device

Atmospheric water harvesting in semi-arid regions by membranes: A techno-economic assessment

Size dependence of second-harmonic scattering from nanoparticles: Disentangling surface and electrostatic contributions

Revealing the Structure of Tryptophan in Microhydrated Complexes by Cold Ion Spectroscopy

Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution

Spectroscopy and dynamics at liquid water interfaces

Temperature- and pressure-dependence of the hydrogen bond network in plastic ice VII

Maximizing friction by liquid flow clogging in confinement

Thermal Modelling and Experimental Validation in the Perspective of Tool Steel Laser Polishing

Imaging of Chemical Kinetics at the Water–Water Interface in a Free-Flowing Liquid Flat-Jet

Improving the Accuracy of Fracture Toughness Measurement in Burst Experiments

A lattice Boltzmann model for self-diffusiophoretic particles near and at liquid-liquid interfaces