Energy transfer in classical trajectories of atomic-diatomic molecule collisions

Hamzeh M. Abdel-Halim, Badria I. Al-Shihi

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2 Citations (Scopus)

Abstract

Energy transfer in nonreactive collisions of atom-diatomic molecules has been studied in three dimensions using Monte Carlo classical trajectories. Equations of motion, which predict the positions and momenta of the colliding particles after each step in the trajectory, have been integrated numerically by Runge-Kutta-Gill and Adams-Molton methods. The potential energy surfaces employed in the calculation, between the atom and each atom of the diatomic molecule, are Morse potentials plus an exponential repulsive term. Effects of the potential well-depth, initial energies (translational, rotational, and vibrational), and the masses of the colliding particles on energy transfer have been studied. The results show strong dependence of energy transfer type and quantity on these parameters. Dynamical analysis of the observations is given in order to get some understanding of the mechanism of energy transfer in nonreactive collisions.

Original languageEnglish
Pages (from-to)366-372
Number of pages7
JournalIndian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry
Volume35
Issue number5
Publication statusPublished - May 1996

Fingerprint

diatomic molecules
Energy transfer
energy transfer
Trajectories
trajectories
Molecules
collisions
Atoms
Morse potential
atoms
Potential energy surfaces
Equations of motion
Momentum
equations of motion
potential energy
momentum
energy

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

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abstract = "Energy transfer in nonreactive collisions of atom-diatomic molecules has been studied in three dimensions using Monte Carlo classical trajectories. Equations of motion, which predict the positions and momenta of the colliding particles after each step in the trajectory, have been integrated numerically by Runge-Kutta-Gill and Adams-Molton methods. The potential energy surfaces employed in the calculation, between the atom and each atom of the diatomic molecule, are Morse potentials plus an exponential repulsive term. Effects of the potential well-depth, initial energies (translational, rotational, and vibrational), and the masses of the colliding particles on energy transfer have been studied. The results show strong dependence of energy transfer type and quantity on these parameters. Dynamical analysis of the observations is given in order to get some understanding of the mechanism of energy transfer in nonreactive collisions.",
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AU - Al-Shihi, Badria I.

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N2 - Energy transfer in nonreactive collisions of atom-diatomic molecules has been studied in three dimensions using Monte Carlo classical trajectories. Equations of motion, which predict the positions and momenta of the colliding particles after each step in the trajectory, have been integrated numerically by Runge-Kutta-Gill and Adams-Molton methods. The potential energy surfaces employed in the calculation, between the atom and each atom of the diatomic molecule, are Morse potentials plus an exponential repulsive term. Effects of the potential well-depth, initial energies (translational, rotational, and vibrational), and the masses of the colliding particles on energy transfer have been studied. The results show strong dependence of energy transfer type and quantity on these parameters. Dynamical analysis of the observations is given in order to get some understanding of the mechanism of energy transfer in nonreactive collisions.

AB - Energy transfer in nonreactive collisions of atom-diatomic molecules has been studied in three dimensions using Monte Carlo classical trajectories. Equations of motion, which predict the positions and momenta of the colliding particles after each step in the trajectory, have been integrated numerically by Runge-Kutta-Gill and Adams-Molton methods. The potential energy surfaces employed in the calculation, between the atom and each atom of the diatomic molecule, are Morse potentials plus an exponential repulsive term. Effects of the potential well-depth, initial energies (translational, rotational, and vibrational), and the masses of the colliding particles on energy transfer have been studied. The results show strong dependence of energy transfer type and quantity on these parameters. Dynamical analysis of the observations is given in order to get some understanding of the mechanism of energy transfer in nonreactive collisions.

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