High-Performance Polymeric Materials.

Abstract

A variety of theoretical methods were used to elucidate the structure and properties of rigid rodlike polymer chains which are of interest as high-performance polymeric materials. Semi-empirical molecular mechanics methods were used to calculate the intramolecular and intermolecular energies pertinent to conformational flexibility and chain packing effects. Also, geometry optimized CNDO/2 molecular orbital calculations were carried out to investigate the structure and conformational characteristics of the rodlike polymers, in both the unprotonated and protonated states. Electronic band gap calculations within the extended Huckel approximation were carried out to elucidate the packing and electronic properties of these chains in the crystalline state. Keywords: Rodlike polymers, Aromatic heterocyclic polymers, Conformational energies, Intermolecular interactions, Polybenzobisoxazoles, Polybenzobisthiazoles, Chain flexibility, Chain packing, Electrical conductivity, Ceramic particles, Elastomer reinforcement.

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Document Details

Document Type
Technical Report
Publication Date
Dec 07, 1987
Accession Number
ADA190708

Entities

People

  • J. E. Mark

Organizations

  • University of Cincinnati

Tags

Communities of Interest

  • Advanced Electronics
  • Air Platforms
  • Biomedical
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Band Structures
  • Biomedical And Dental Materials
  • Chemical Synthesis
  • Chemistry
  • Conductive Polymers
  • Crystal Structure
  • Energy Bands
  • Materials Laboratories
  • Materials Processing
  • Materials Science
  • Materials Testing
  • Mechanical Properties
  • Mechanics
  • Organic Chemistry
  • Polymer Chemistry
  • Polymeric Films

Fields of Study

  • Chemistry

Readers

  • Polymer Science and Technology
  • Quantum Chemistry

Technology Areas

  • Microelectronics
  • Space