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MedeA® Polymer Builder

The MedeA® PolymerBuilder creates polymer models from specified repeat units and polymerization information. You can create homopolymers with two clicks from a library of more than 120 repeat units; and complex copolymers with additional rules and appropriate sequence definitions. If you need to define terminations or backbone angle you can tune the standard defaults.

The MedeA® PolymerBuilder is simple for basic construction yet sophisticated for even the most demanding builds. The result is quality polymer models based on more than 20 years of experience in computational polymer science.

MedeA Polymer Builder

Key Features of MedeA® Polymer-Builder

  • Extensible input library with over 120 repeat units:
    • Acrylics
    • Amides
    • Dienes
    • Esters
    • Siloxanes
    • Olefins
    • Vinyls
  • Flexible repeat unit definition for any arbitrary monomer
  • Handling of any required tactictiy
    • Isotactic
    • Syndiotactic
    • Atactic
  • Full control of polymerization orientation including head-to-head, head-to-tail and random orientations
  • Alternating, block and random copolymer capabilities employing user defined probabilities
  • Creation of an arbitrary number of chains
  • Define chain lengths, tacticity, torsion angles, and chain termination handling

Computational Characteristics:

  • Create any necessary repeat unit with MedeA®’s Molecular Builder.
  • Use the models created by the MedeA® PolymerBuilder for atomistic simulations of physical properties including:
    • Density
    • Cohesive Energy Density (CED)
    • Thermal Conductivity
    • Viscosity
    • Diffusivity

Required MedeA® modules:

Supported MedeA® modules:

Datasheet: 
application/pdf iconMedeA_Polymer_Builder_Datasheet.pdf