Predicting Glass Transition Temperatures (Tg) of Polymers from Their Molecular Structure. Part I. Individual Atom Contributions

Abstract

The present investigation is an extension of the method of Askadskii and Slonimskii to predict the glass transition temperature of amorphous polymers. The glassy volume of each polymer structure at a reference temperature is calculated using the Van der Waals radii of the individual atoms, the bonding distances, and the procedure of Kitaigorodskii. The volume of the repeat unit at T sub g is approximated as the sum of the product of a weighting factor and a determined incremental volume contribution. Results using the L sub 1 error approximation and representing over 175 chemically or sterically different polymer structures are presented.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Apr 01, 1978
Accession Number
ADA060361

Entities

People

  • D. R. Wiff
  • I. J. Goldfarb

Tags

DTIC Thesaurus Topics

  • Air Force
  • Air Force Facilities
  • Atoms
  • Computations
  • Equations
  • Glass Transition Temperature
  • Governments
  • Materials
  • Materials Laboratories
  • Mechanical Properties
  • Molecules
  • Physical Properties
  • Schematic Diagrams
  • Specific Volume
  • Spine
  • Transition Temperature
  • Two Dimensional

Fields of Study

  • Chemistry
  • Physics

Readers

  • Computational Modeling and Simulation
  • Materials Science and Engineering.
  • Polymer Science and Technology