ESM Software Software for Materials Science

SciPolymer 3

New Features in SciPolymer 3

Version 3.0 contains important new functionality, features, and six new property calculations requested by many users of the program. Below is a listing of new items and functionality in SciPolymer.

  • Compute and graph Tg for cross-linked polymer as function of the number repeat units between chains. The latter is treated as a variable in graphing the Tg.
  • Compute and graph Tg as function of average number molecular weight.
  • Compute Tb, the secondary glass transition temperature sometimes designated as Tg . This secondary temperature is associated with the onset of ductile behavior of polymers with increasing temperature under a mechanical deformation.
  • Compute and graph the interfacial tension energy between polymers.
  • Predict the best miscibility between a polymer and 300 common solvents automatically.
  • Compute brittle fracture and crazing stress and yield for polymers.
  • Enter your own type of experimental properties by creating new property fields in SciPolymer other than those used for built-in properties. This is an important and useful feature for end-users with their own property data.
  • Create new property predictor equations based on your experimental property data for polymers of interest and incorporate the expression into the SciPolymer Database. This allows the user to investigate how compute property trends on their specific polymers.