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An accurate model for the prediction of the glass transition temperature of ammonium based ionic liquids: A QSPR approach

✍ Scribed by Seyyed Alireza Mirkhani; Farhad Gharagheizi; Poorandokht Ilani-Kashkouli; Nasrin Farahani

Book ID
113624827
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
516 KB
Volume
324
Category
Article
ISSN
0378-3812

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We describe an original QSPR model called the EVM model (Energy, Volume, Mass) to calculate the glass transition temperature (T g ) of aliphatic acrylate and methacrylate homopolymers using classical molecular mechanics and dynamics. The latter was used to calculate an energy density function relate