A COMPARISON OF METHODS FOR CALCULATING THE GLASS TRANSITION TEMPERATURE OF POLYMERS

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Authors
  1. Davis, W.M.
  2. Szabo, J.P.
Corporate Authors
Defence Research Establishment Atlantic, Dartmouth NS (CAN)
Abstract
Three methods of calculating the glass transition temperature (Tg) of polymers on the basis of their chemical structure have been tested in this study. These methods were the connectivity index method, Van Krevelen's group contribution method, and thenewly developed Group Interaction Modelling (GIM) method. The methods were applied to one set of polymers containing a variety of structural groups, and to a set of polyurethanes. In addition, a modified Van Krevelen approach was used on a set of 14 polyurethanes containing 9 structural groups. The results of the calculations were compared to experimental Tg values, and sources of error specific to each method were explored.
Keywords
Glass transition temperatures;Group Interaction Modelling;Polymer modelling;Group Contribution Analysis
Report Number
DREA-TM-98-220 — Technical Memorandum
Date of publication
01 Jul 1998
Number of Pages
28
DSTKIM No
99-00179
CANDIS No
510049
Format(s):
Hardcopy;Document Image stored on Optical Disk

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