Molecular dipole chains III: energy transfer

Article Abstract:

One-dimensional models were used to study energy transfers in excited dipole chains. The analytical treatment of a pair of dipoles show that energy transfer from dipole to dipole can only be complete for low excitations and interesting behavior of these chains were found when different initial conditions were added to the model.

Energy transfer

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Molecular simulation of the interlayer structure and the mobility of alkyl chains in HDTMA(super +)/montmorillonite hybrids

Article Abstract:

Molecular simulation techniques are used to find the basal spacing of organoclay on the basis of the energy minimum, using the canonical NVT ensemble. Simulation indicates that the mobility of the alkyl chains strongly depends on the surfactant arrangement rather than the surfactant packing density.

Usage, Simulation methods, Simulation, Alkyl groups

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Toluene model for molecular dynamics simulations in the ranges 298

Article Abstract:

A molecular dynamic study of liquid toluene is described to reveal the structure of the liquid. The thermodynamics and kinetic properties in the liquid phase are calculated within a temperature and a pressure range of 298< T (K) < 350 and 0.1 < P (Mpa) < 10 respectively.

Author: Fioroni, Marco, Vogt, Dieter

Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004

Petrochemical Manufacturing, Toluene, Thermodynamics

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Subjects list: Research, Molecular dynamics, Chemical properties

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