Prediction of the Glass Transition Temperature of Multicyclic and Bulky Substituted Acrylate and Methacrylate Polymers Using the Energy, Volume, Mass (EVM) QSPR Model

A novel approach toward the prediction o

A novel approach toward the prediction of the glass transition temperature: Application of the EVM model, a designer QSPR equation for the prediction of acrylate and methacrylate polymers

✍ Philippe Camelio; Christopher C. Cypcar; Véronique Lazzeri; Bernard Waegell 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 287 KB 👁 2 views

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