Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Dimensionless Groups in Fluid Mechanics01:15

Dimensionless Groups in Fluid Mechanics

1.1K
Dimensionless groups in fluid mechanics provide simplified ratios that help analyze fluid behavior without relying on specific units. The Reynolds number (Re), which represents the ratio of inertial to viscous forces, distinguishes between laminar and turbulent flows, making it essential in the design of pipelines and aerodynamic surfaces. The Froude number (Fr), the ratio of inertial to gravitational forces, is particularly useful in predicting wave formation and hydraulic jumps in...
1.1K
Density00:56

Density

16.7K
Density is an important characteristic of substances, crucial in determining whether an object sinks or floats in a fluid. Its SI unit is kg/m3, and its cgs unit is g/cm3. The density of an object helps in identifying its composition, and also reveals information about the phase of the matter and its substructure. The densities of liquids and solids are roughly comparable, consistent with the fact that their atoms are in close contact. However, gases have much lower densities than liquids and...
16.7K
Density, Specific Weight, Specific Gravity and Compressibility of Fluid01:27

Density, Specific Weight, Specific Gravity and Compressibility of Fluid

2.9K
Density, specific weight, specific gravity, and compressibility are fundamental properties of fluids. Density is the mass per unit volume, characterizing the mass of a fluid system. It influences buoyancy, pressure, flow dynamics, viscosity, thermal conductivity, and sound propagation. For instance, in pipeline design, accurate density measurements ensure that the pipeline can handle the fluid's mass.
Specific weight represents the weight per unit volume and is calculated by multiplying...
2.9K
Van der Waals Equation01:10

Van der Waals Equation

4.8K
The ideal gas law is an approximation that works well at high temperatures and low pressures. The van der Waals equation of state (named after the Dutch physicist Johannes van der Waals, 1837−1923) improves it by considering two factors.
First, the attractive forces between molecules, which are stronger at higher densities and reduce the pressure, are considered by adding to the pressure a term equal to the square of the molar density multiplied by a positive coefficient a. Second, the...
4.8K
The Van der Waals Equation01:26

The Van der Waals Equation

222
The ideal gas law is based on two simplifying assumptions: first, that there are no intermolecular attractions between gas molecules, and second, that the volume occupied by the molecules themselves is negligible compared with the volume of the container. However, these assumptions don't hold up under all conditions - specifically, at high pressures and low temperatures, as gas tends to deviate from ideal gas behavior.The van der Waals equation is an enhanced version of the ideal gas law,...
222
Characteristics of Fluids01:20

Characteristics of Fluids

7.3K
When a force is applied parallel to the top surface of a solid, it resists the applied force due to the internal frictional forces between the layers of the solid known as shearing resistance. However, when the force is removed, the shearing forces restore the original shape of the solid. Other deformation forces also cause temporary changes in shape if the forces are not beyond a threshold magnitude. Solids tend to retain their shape, making the study of their rest and motion easier. Beyond...
7.3K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

The Angular Localization Function (ALF): A Practical Tool to Measure Solvent Angular Order with Molecular Density Functional Theory.

The journal of physical chemistry. B·2026
Same author

A molecular density functional theory of aqueous electrolytic solution.

The Journal of chemical physics·2026
Same author

A variational formulation of the free energy of mixed quantum-classical systems: Coupling classical and electronic density functional theories.

The Journal of chemical physics·2026
Same author

Molecular density functional theory with atomistic dipolar solvent to study pressure effect on a Diels-Alder reaction.

Physical chemistry chemical physics : PCCP·2026
Same author

Prediction of the Aqueous Redox Properties of Functionalized Quinones Using a New QM/MM Variational Formulation.

Journal of chemical theory and computation·2025
Same author

Ions at electrochemical interfaces: From explicit to implicit molecular solvent descriptions.

The Journal of chemical physics·2025

Related Experiment Video

Updated: May 5, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

7.6K

Classical Density Functional Theory of Lennard-Jones Fluids: The Weighted-Density Approximation Revisited.

Luc Belloni1, Guillaume Jeanmairet2, Daniel Borgis3,4

  • 1LIONS, NIMBE, CEA, CNRS, Université Paris-Saclay, Gif-sur-Yvette 91191, France.

The Journal of Physical Chemistry. B
|May 4, 2026
PubMed
Summary

This study applies the weighted-density approximation in classical density functional theory to model solvent behavior around solutes. The method accurately predicts dewetting solvent profiles near phase coexistence, significantly reducing computational time.

More Related Videos

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

5.9K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

14.1K

Related Experiment Videos

Last Updated: May 5, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

7.6K
Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

5.9K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

14.1K

Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Statistical Mechanics

Background:

  • Classical density functional theory (DFT) is a powerful tool for studying fluid behavior.
  • The weighted-density approximation (WDA) is a key component of DFT for modeling excess free energy functionals.
  • Accurately modeling solvent behavior, especially near phase transitions, remains a challenge.

Purpose of the Study:

  • To apply the full weighted-density approximation for excess functionals in classical DFT.
  • To investigate solvent density profiles around various solutes under different conditions.
  • To validate the theoretical approach against numerical simulations, particularly near the liquid-gas coexistence curve.

Main Methods:

  • Utilizing the full original version of the weighted-density approximation for the excess functional.
  • Deriving density-dependent weight functions from direct pair correlation functions obtained via simulation and integral equation techniques.
  • Employing a stabilization technique for the two-phase region at subcritical temperatures.
  • Minimizing the full functional or its gradient to obtain solvent profiles around solutes.

Main Results:

  • The method successfully models solvent density profiles for Lennard-Jones solvents around soft and hard spheres.
  • Observed dewetting solvent profiles near the coexistence line closely match reference simulation data.
  • The computational efficiency is significantly improved, requiring tens of seconds versus hours for simulations.

Conclusions:

  • The full weighted-density approximation provides an accurate and efficient method for predicting solvent structure in DFT.
  • The approach is effective in capturing complex phenomena like dewetting and phase behavior.
  • This work offers a computationally advantageous alternative to traditional simulation methods for studying fluid systems.