Related Experiment Video
Updated: Apr 24, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Structure of fluid mixtures near a solute: a density functional approach
1Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085, India.
Abstract:
The structure of fluid mixtures near a spherical solute is studied using a density functional approach and computer simulation. The input direct correlation function is obtained from integral equation theory with an accurate closure relation. The density and concentration profiles of binary as well as ternary hard-sphere mixtures near a large hard-spherical solute compare quite well with the computer simulation results over a wide range of parametric conditions.
More Related Videos
11:03An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
10:52Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Related Concept Videos
Liquid–Solid Solutions
Chemical and Solubility Equilibria
Solubility
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,...
Energetics of Solution Formation
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. Formation of the solution requires the solute–solute and solvent–solvent...
Entropy and Solvation
Solution Formation
This selective...