Theoretical Studies of Potential Energy Storage Molecules

Abstract

Investigations at several levels of theory of the quintet states of the Carbon monoxide molecule, which correspond asymptotically to the interaction of C(3)state) + O(3)state), show the 1 (5)sigma(+) state to be a potentially interesting energy storage candidate. Its binding energy (ca. 750/cm) is sufficiently large compared with those (<100/cm) of the other quintets so that one might be able to produce the 1 (5)sigma(+) state preferentially. The decay pathways of the quintets need to be investigated in order to provide a more definitive assessment of their energy storage potential. Keywords: Quintet spin states; Weak long-range interactions; Van der Waals molecules; Energy storage; Atom Atom interactions.

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Document Details

Document Type
Technical Report
Publication Date
Nov 01, 1988
Accession Number
ADA203986

Entities

People

  • Daniel D. Konowalow

Organizations

  • University of Dayton

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Atomic Energy Levels
  • Atomic Orbitals
  • Calorific Value
  • Diatomic Molecules
  • Electronic States
  • Electrons
  • Energy Levels
  • Energy Storage
  • Experimental Data
  • First Principles Calculations
  • Ground State
  • Perturbation Theory
  • Quantum Numbers
  • Quantum Properties
  • Spin States
  • Spin-Orbit Interaction
  • Three Dimensional

Fields of Study

  • Physics

Readers

  • Combustion Dynamics and Shock Wave Physics.
  • Molecular Photonics/Laser Physics