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Related Concept Videos

The Kinetic Model of Gases01:24

The Kinetic Model of Gases

The kinetic model of gases explains the properties of a perfect gas using three main assumptions: molecules move in ceaseless random motion, their size is negligible compared to the distances between them, and they do not interact except during perfectly elastic collisions. The total energy of a gas is the sum of the kinetic energies of all its constituent molecules. The pressure exerted by the gas arises from the continual bombardment of the container walls by billions of colliding molecules.
Thermal Sigmatropic Reactions: Overview01:16

Thermal Sigmatropic Reactions: Overview

Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...
Mechanisms of Heat Transfer I01:14

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Just as interesting as the effects of heat transfer on a system are the methods by which the heat transfer occur. Whenever there is a temperature difference, heat transfer occurs. It may occur rapidly, such as through a cooking pan, or slowly, such as through the walls of a picnic ice box. So many processes involve heat transfer that it is hard to imagine a situation where no heat transfer occurs. Yet, every heat transfer takes place by only three methods: conduction, convection, and radiation.
Mechanisms of Heat Transfer01:14

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Mechanisms of Heat Transfer II01:20

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Related Experiment Video

Updated: Jul 3, 2026

Characterization of Thermal Transport in One-dimensional Solid Materials
05:20

Characterization of Thermal Transport in One-dimensional Solid Materials

Published on: January 26, 2014

A new model for thermal diffusion: kinetic approach.

Pierre-Arnaud Artola1, Bernard Rousseau, Guillaume Galliéro

  • 1Laboratoire de Chimie Physique, UMR 8000, Université Paris-Sud 11, Orsay, France.

Journal of the American Chemical Society
|July 26, 2008
PubMed
Summary
This summary is machine-generated.

A new kinetic model accurately predicts thermal diffusion and the Soret coefficient in mixtures. This model, based on self-diffusion activation free energies, shows excellent agreement with molecular dynamics simulations for Lennard-Jones and water-ethanol systems.

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Experimental Methodology for Estimation of Local Heat Fluxes and Burning Rates in Steady Laminar Boundary Layer Diffusion Flames
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Area of Science:

  • Thermodynamics
  • Chemical Engineering
  • Materials Science

Background:

  • Thermal diffusion and the Soret effect are crucial phenomena in multi-component systems.
  • Existing models often struggle to accurately predict these effects, especially in complex mixtures.
  • Understanding these transport properties is vital for various applications, including separation processes and material design.

Purpose of the Study:

  • To develop and validate a novel kinetic model for thermal diffusion.
  • To explicitly incorporate mass and chemical contributions into the model.
  • To accurately predict the Soret coefficient and self-diffusion activation free energies.

Main Methods:

  • Derivation of a kinetic model based on Prigogine's approach.
  • Inclusion of self-diffusion activation free energies.
  • Equilibrium and nonequilibrium molecular dynamics simulations.
  • Computation of self-diffusion activation free enthalpies and Soret coefficients.

Main Results:

  • The new model demonstrates very good agreement with simulation data for Lennard-Jones mixtures.
  • Accurate prediction of the composition dependence for the sign change of the Soret coefficient in water-ethanol mixtures.
  • Good overall behavior observed for the water-ethanol system.

Conclusions:

  • The proposed kinetic model offers a robust framework for predicting thermal diffusion and Soret coefficients.
  • The model's accuracy is validated by its strong performance against simulation data.
  • Further experimental validation at higher temperatures is proposed for the water-ethanol system.