Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Van der Waals Equation

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...

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

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.

Conformations of Butane

Conformations of Butane

Unlike ethane and propane that have only two major conformations, butane has more than two conformers. The staggered form of butane in which the bulky methyl groups on the two carbons are placed on opposite sides, that is, at a dihedral angle of 180°, is the lowest energy, most stable form — called the anti conformer. This conformation is stabilized due to the absence of steric repulsion between the largely spaced out methyl groups. The other two staggered conformations are...

Van der Waals Interactions

Van der Waals Interactions

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.

VSEPR Theory and the Basic Shapes

VSEPR Theory and the Basic Shapes

Overview of VSEPR Theory

Force and Potential Energy in One Dimension

Force and Potential Energy in One Dimension

Force can be calculated from the expression for potential energy, which is a function of position. The component of a conservative force, in a particular direction, equals the negative of the derivative of the corresponding potential energy with respect to the displacement in that direction. For regions where potential energy changes rapidly with displacement, the work done and force is maximum. Also, when force is applied along the positive coordinate axis, the potential energy decreases with...

You might also read

Related Articles

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

Sort by

Same author

New rate coefficients for rotationally inelastic collisions of OCS with <i>para</i>- and <i>ortho</i>-H<sub>2</sub>.

Physical chemistry chemical physics : PCCP·2025

Same author

Collisional excitation of propargylimine by helium: new <i>ab initio</i> 3D-potential energy surfaces and scattering calculations.

Physical chemistry chemical physics : PCCP·2024

Same author

Quenching transitions for the rovibrational transitions of water: Ortho-H<sub>2</sub>O in collision with ortho- and para-H<sub>2</sub>.

The Journal of chemical physics·2022

Same author

New theoretical investigation of rotational inelastic (de)-excitation of calcium isocyanide CaNC(<sup>2</sup>Σ<sup>+</sup>) in collision with He(<sup>1</sup>S).

Physical chemistry chemical physics : PCCP·2022

Same author

Rotational quenching of an interstellar gas thermometer: CH<sub>3</sub>CNHe collisions.

Physical chemistry chemical physics : PCCP·2020

Same author

Dynamics of AlOH inelastic scattering with p-H<sub>2</sub>(J = 0) on a full and accurate potential energy surface.

Physical chemistry chemical physics : PCCP·2019

Search research articles

Related Experiment Video

Updated: Dec 26, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Potential Energy Surface for the CH₄-H₂ van der Waals Interaction.

Emna Sahnoun^1,2, Laurent Wiesenfeld¹, Kamel Hammami²

¹Laboratoire Aimé-Cotton, , CNRS, Université Paris-Saclay91405 Orsay, France.

The Journal of Physical Chemistry. A

|March 14, 2020

Summary

This study precisely determines the van der Waals interaction between methane and hydrogen. These findings are crucial for understanding atmospheric radiative properties.

More Related Videos

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

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

Published on: April 12, 2019

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

Related Experiment Videos

Last Updated: Dec 26, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

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

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

Published on: April 12, 2019

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

Area of Science:

Atmospheric Chemistry
Computational Quantum Chemistry
Molecular Interactions

Background:

Methane (CH4) is a minor atmospheric component influencing radiative properties.
Understanding CH4 interactions with other gases is vital for atmospheric models.
Precise interaction potentials are needed for accurate simulations.

Purpose of the Study:

To compute the interaction potential between methane (CH4) and hydrogen (H2).
To provide accurate data for atmospheric radiative transfer calculations.
To establish a benchmark for CH4-diatomic molecule interactions.

Main Methods:

Utilized *ab initio* coupled cluster formalism (CCSD(T) and CCSD(T)-F12a).
Employed extended atomic bases and considered full molecular scattering geometry.
Compared *ab initio* results with analytic multipolar expansion for long-range interactions.

Main Results:

Calculated the potential energy surface for CH4-H2 interaction.
Determined the potential well depth to be -92.92 cm⁻¹.
Developed a potential suitable for scattering dynamics calculations.

Conclusions:

Presented the first precise determination of the CH4-H2 interaction potential.
The computed interaction is intermediate compared to other methane-diatomic interactions.
This work advances the understanding of atmospheric gas interactions and radiative properties.