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REPORT DATE (DD-MM-YYYY)
February 20042. REPORT TYPE
PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES)
U.S. Army Research Laboratory ATTN: AMSRD-ARL-WM-BD Aberdeen Proving Ground, MD 21005-5066
PERFORMING ORGANIZATION REPORT NUMBER
ARL-TR-3137
SPONSOR/MONITOR'S ACRONYM(S) 9. SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS(ES)
SPONSOR/MONITOR'S REPORT NUMBER(S)
DISTRIBUTION/AVAILABILITY STATEMENTApproved for public release; distribution is unlimited.
SUPPLEMENTARY NOTES*National Research Council Postdoctoral Fellow †Oak Ridge Institute for Science and Education, P.O. Box 117, MS 44, Oak Ridge, TN 37831-0117
ABSTRACTA designer Quantitative Structure-Property Relationship (QSPR), based upon molecular properties calculated using the AM1 semi-empirical quantum mechanical method, was developed to predict the glass transition temperature (T g ) of amine-cured epoxy resins based on the diglycidyl ether of bisphenol A. The QSPR (R 2 = 0.9977) was generated using the regression analysis program, Comprehensive Descriptors for Structural and Statistical Analysis (CODESSA). By applying an ad hoc treatment based on elementary probability theory to the quantitative structure-property relationship analysis, a method was developed for computing bulk polymer T g for stoichiometric and non-stoichiometric monomeric formulations. A model polymer was synthesized and found to validate our model predictions.
SUBJECT TERMSAM1, semi-empirical, QSPR, amine, epoxy, polymer, glass transition
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