Related Experiment Video
Updated: Jun 6, 2026
08:46
Methane Hydrate Crystallization on Sessile Water Droplets
Published on: May 26, 2021
Water as a solute: competitive shell formation in (He,Ne) mixed microdroplets
1Department of Chemistry and CNISM, University of Rome La Sapienza, Piazzale A. Moro 5, 00185 Rome, Italy.
Physical Chemistry Chemical Physics : PCCP
|December 1, 2010
Summary
Quantum Monte Carlo (QMC) simulations reveal how helium (He) and neon (Ne) solvents form distinct shells around a water molecule. Differences in solvent adatom interactions create competing environments influencing cluster structure and mixing energetics.
Area of Science:
- Computational Chemistry
- Quantum Mechanics
- Materials Science
Background:
- Rare gas clusters are model systems for studying solvation effects.
- Water clusters are crucial in atmospheric and biological processes.
- Understanding mixed solvent behavior is key to predicting properties of complex systems.
Purpose of the Study:
- Investigate the structural behavior of mixed He-Ne clusters with a water dopant.
- Analyze the influence of solvent-adatom interactions on cluster formation.
- Determine the energetics of mixing for these mixed rare gas systems.
Main Methods:
- Utilized Quantum Monte Carlo (QMC) stochastic calculations.
- Employed ab initio potentials for accurate interaction modeling.
- Analyzed structural details and energetics of small and large mixed aggregates.
Main Results:
- Observed preferential shell structuring around the water molecule.
- Identified competing environments due to differing He-Ne interactions with water.
- Revealed structural effects arising from distinct solvent adatom networking.
Conclusions:
- Solvent adatom differences significantly impact cluster structure and solvation.
- QMC calculations provide detailed insights into mixed rare gas-water systems.
- The study elucidates fundamental principles governing solvation in mixed clusters.
Related Concept Videos
02:05Entropy and Solvation
The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ ≥ 15); an...
03:00Solubility
Solution, Solubility, and Solubility Equilibrium
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules, atoms, and/or ions)...
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules, atoms, and/or ions)...
02:28Intermolecular Forces in Solutions
The formation of a solution is an example of a spontaneous process, a process that occurs under specified conditions without energy from some external source.
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
02:42Aqueous Solutions and Heats of Hydration
Water and other polar molecules are attracted to ions. The electrostatic attraction between an ion and a molecule with a dipole is called an ion-dipole attraction. These attractions play an important role in the dissolution of ionic compounds in water.
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
03:13Intermolecular Forces
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...
01:12Solvents
A solvent is a substance, most often a liquid, that can dissolve other substances. Here, the substance being dissolved is called a solute. When a solvent and a solute combine, they form a solution - a homogenous mixture of both the solvent and the solute. Water is a universal biological solvent. Its polar structure allows it to dissolve many other polar compounds. The ability of water to dissolve is governed by a balance between water molecules binding to each other and binding to the solute.
A...
A...