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

reportActive / Technical Report | Accession Number: ADA060361 | Open PDF

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.

Author(s):
Wiff, D. R. ; Goldfarb, I. J.
Author Organization(s):
GOVERNMENT-INDUSTRY DATA EXCHANGE PROGRAM
Descriptive Note:
Final technical rept. Dec 1976-Dec 1977
Supplementary Note:
DOI: 10.21236/ADA060361
Pagination:
0067

Security Markings

DOCUMENT & CONTEXTUAL SUMMARY

Distribution:
Approved For Public Release

RECORD

Collection: TR
Identifying Numbers
Report Number(s):
AFML-TR-78-25, GIDEP-E143-1546
Contract/Grant Number(s):
F33615-75-C-5095
Task Number(s):
04
Project Number(s):
2419
Monitor Series:
TR-78-25, E143-1546, AFML
 Subject Terms
Joint Capability Areas:
JCA_5_Command and Control; JCA_5.3_Planning; JCA_3.2_Engagement; JCA_3_Force Application; JCA_3.2.1_Kinetic Means; JCA_1.2.7_Experimentation; JCA_6_Net Centric
Modernization Areas:
Fully Networked C3
Communities of Interest:
No COI(s) Identified
Descriptor(s):
*POLYMERS, *AMORPHOUS MATERIALS, *ORGANIC COMPOUNDS, PREDICTIONS, PHASE TRANSFORMATIONS, RUBBER, TRANSITION TEMPERATURE, LIQUID PHASES, APPROXIMATION(MATHEMATICS), BONDING, STEREOCHEMISTRY, ATOMIC STRUCTURE, GLASSY CARBON
Field(s)/Group(s):
Polymer Chemistry, Plastics
Keyword(s):
PE62102F, WUAFML24190415
Report Date:
1978 Apr 01