New High Energy Density Small Ring Systems

Abstract

A theoretical research investigation of four atom light element species has been undertaken in order to find propellants with revolutionary performance. The ab initio calculations show that the rhombic geometry is a global minima on the potential energy surface of many dicarbides and diborides composed of H, Li, Be, B, C, and Si. By means of bond-stretch isomerism, bonding pattern change, these rhombic species can store significant amounts of energy - 87 kcal/mole to 122kcal/mole. Only in the case of B2Be2 was the tetrahedral form more stable. All of the four-atom species found stable by this investigation are estimated to provide high specific impulses.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 1990
Accession Number
ADA231309

Entities

People

  • K. Lammertsma

Organizations

  • University of Alabama at Birmingham

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Properties
  • Chemistry
  • Electron Density
  • Electrons
  • Elements
  • Energetic Materials
  • Energy
  • Geometry
  • Heat Of Formation
  • High Energy
  • Materials
  • Materials Science
  • Molecular Orbital Theory
  • Potential Energy
  • Propellants
  • Space Systems
  • Specific Impulse

Fields of Study

  • Physics

Readers

  • Quantum Chemistry
  • Surface Engineering/Surface Coating Technology.
  • Systems Analysis and Design