QSPR model for predicting the glass transition temperature of aliphatic substituted acrylate and methacrylate polymers

American Chemical Society, Polymer Preprints, Division of Polymer Chemistry

Volumn 37, Issue 2, 1996, Pages 364-365

  Cypcar, Christopher C ^a,b   Camelio, Philippe ^b   Lazzeri, Veronique ^b   Waegell, Bernard ^b  

^a Virginia Polytechnic Institute and State University   (United States)

^b AIX MARSEILLE UNIVERSITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; ITERATIVE METHODS; MOLECULAR DYNAMICS; POLYACRYLATES; POLYMETHYL METHACRYLATES; REACTION KINETICS; VAN DER WAALS FORCES;

EXTENSIBLE SYSTEMATIC FORCE FIELD (ESFF); QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIP (QSPR) EQUATION; SOFTWARE PACKAGE DISCOVER 95; SOFTWARE PACKAGE INSIGHTII; SOFTWARE PACKAGE POLYMERIZER 8.0;

GLASS TRANSITION;

EID: 0030204522     PISSN: 00323934     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Article

References (5)

1. Van Krevelen, D.W. Properties of Polymers: Their Correlation with Chemical Structure; Their Numerical Estimation and Prediction from Additive Group Contributions; Elsevier. Amsterdam, 1990.
2. Bicerano, J. Computional Modeling of Polymers; M. Dekker New York, 1992.
3. Hopfinger, A.J.; Koehler, M.G.; Pearlstein, R.A; Tripathy, J.K., J. Polym. Sci, Polym Phys. Ed., 1988, 26, 2007-2028.
4. Camelio, P.; Lazzeri, V.; Waegell, B. Polymer Preprint, 1995, 36(1), 661.
5. Biosym/MSI, San Diego, Discover 3.0/95.0 User Guide, October, 1995.