Lecture

Lennard-Jones Potential: Trajectories and Deflection Function

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In course

CH-310: Dynamics and kinetics

The course covers the principles of chemical kinetics, including differential rate laws, derivation of exact and approximate integral rate laws for common elementary and composite reactions, fundamentals of collision and transition state theories, and appl ...

Description

This lecture discusses the Lennard-Jones potential, a model potential for intermolecular interactions, and its comparison with the hard-sphere collision cross section. It covers the depth of the potential well, long-range attraction, and intermolecular repulsion. Trajectories and deflection functions for the Lennard-Jones potential are analyzed, showing how particles interact at different distances and energies. The differential cross section is explored for various impact parameters, highlighting the behavior for small and large values. Insights are drawn from the comparison with the hard-sphere deflection function, emphasizing the differences in deflection angles and interaction patterns.

Instructor

Ulrich Lorenz

Teaching & PhD PhD Students Jakub Hruby Past EPFL PhD Students Pavel Olshin, Gabriele Bongiovanni, Chengcheng Yan, Oliver Florian Harder, Mowry Nathan Junior, Constantin Richard Krüger

Official source

Related concepts (32)

Intermolecular force

An intermolecular force (IMF) (or secondary force) is the force that mediates interaction between molecules, including the electromagnetic forces of attraction or repulsion which act between atoms and other types of neighbouring particles, e.g. atoms or ions. Intermolecular forces are weak relative to intramolecular forces – the forces which hold a molecule together. For example, the covalent bond, involving sharing electron pairs between atoms, is much stronger than the forces present between neighboring molecules.

Van der Waals force

In molecular physics, the van der Waals force is a distance-dependent interaction between atoms or molecules. Unlike ionic or covalent bonds, these attractions do not result from a chemical electronic bond; they are comparatively weak and therefore more susceptible to disturbance. The van der Waals force quickly vanishes at longer distances between interacting molecules. Named after Dutch physicist Johannes Diderik van der Waals, the van der Waals force plays a fundamental role in fields as diverse as supramolecular chemistry, structural biology, polymer science, nanotechnology, surface science, and condensed matter physics.

Parabolic trajectory

In astrodynamics or celestial mechanics a parabolic trajectory is a Kepler orbit with the eccentricity equal to 1 and is an unbound orbit that is exactly on the border between elliptical and hyperbolic. When moving away from the source it is called an escape orbit, otherwise a capture orbit. It is also sometimes referred to as a C3 = 0 orbit (see Characteristic energy). Under standard assumptions a body traveling along an escape orbit will coast along a parabolic trajectory to infinity, with velocity relative to the central body tending to zero, and therefore will never return.

Hyperbolic trajectory

In astrodynamics or celestial mechanics, a hyperbolic trajectory or hyperbolic orbit is the trajectory of any object around a central body with more than enough speed to escape the central object's gravitational pull. The name derives from the fact that according to Newtonian theory such an orbit has the shape of a hyperbola. In more technical terms this can be expressed by the condition that the orbital eccentricity is greater than one.

Radial trajectory

In astrodynamics and celestial mechanics a radial trajectory is a Kepler orbit with zero angular momentum. Two objects in a radial trajectory move directly towards or away from each other in a straight line. There are three types of radial trajectories (orbits). Radial elliptic trajectory: an orbit corresponding to the part of a degenerate ellipse from the moment the bodies touch each other and move away from each other until they touch each other again. The relative speed of the two objects is less than the escape velocity.

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