Related Experiment Video

Updated: Jun 18, 2026

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

A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state

Joachim Gross1

  • 1Engineering Thermodynamics, Process, and Energy Department, Delft University of Technology, 2628 CA Delft, The Netherlands. j.gross@tudelft.nl

The Journal of Chemical Physics
|December 2, 2009
PubMed

More Related Videos

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package06:37

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

Published on: September 17, 2021

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Related Concept Videos

Clausius-Clapeyron Equation02:35

Clausius-Clapeyron Equation

The equilibrium between a liquid and its vapor depends on the temperature of the system; a rise in temperature causes a corresponding rise in the vapor pressure of its liquid. The Clausius-Clapeyron equation gives the quantitative relation between a substance’s vapor pressure (P) and its temperature (T); it predicts the rate at which vapor pressure increases per unit increase in temperature.
Van der Waals Equation01:10

Van der Waals Equation

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 volume...
Vapor Pressure of Fluid01:28

Vapor Pressure of Fluid

The vapor pressure of a fluid is a crucial concept in fluid mechanics, influencing phenomena such as boiling and cavitation. Vapor pressure refers to the pressure exerted by a vapor at a state of thermodynamic equilibrium with its corresponding liquid phase at a specific temperature. It represents the tendency of molecules to escape from the fluid surface into the vapor phase.
When a liquid is placed in a closed container with a small air space, and the space is evacuated, vapor molecules will...
The Van der Waals Equation01:26

The Van der Waals Equation

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,...
Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation04:01

Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation

Thus far, the ideal gas law, PV = nRT, has been applied to a variety of different types of problems, ranging from reaction stoichiometry and empirical and molecular formula problems to determining the density and molar mass of a gas. However, the behavior of a gas is often non-ideal, meaning that the observed relationships between its pressure, volume, and temperature are not accurately described by the gas laws.
The Clausius–Clapeyron Equation01:29

The Clausius–Clapeyron Equation

The Clausius-Clapeyron equation is a fundamental principle in physical chemistry and thermodynamics that describes the relationship between a substance's vapor pressure and temperature. Named after Rudolf Clausius and Benoît Paul Émile Clapeyron, the equation is integral in predicting a substance's behavior under different temperature conditions.The Clausius-Clapeyron equation allows us to calculate how the pressure at which a liquid boils (its vapor pressure) changes as the temperature changes.