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htpolynet 2.0.0 documentation
htpolynet 2.0.0 documentation

Contents:

  • Installation and Prerequisites
  • Release History
  • User Guide
    • Usage
    • Container Usage
    • Molecular Structure Inputs
    • Configuration Files
      • Configuration Files for htpolynet run
      • Configuration Files for htpolynet postsim
      • Configuration Files for htpolynet analyze
    • Program Flow
  • Example Tutorials
    • Examples Using htpolynet run
      • Polystyrene
        • Introduction
        • Monomer: Styrene
        • Reactions
        • The Configuration File
        • Running the Build
        • Results
      • DGEBA-PACM Thermoset
        • Introduction
        • Monomers
        • Reactions
        • The Configuration File
        • Running the Build
        • Results
      • BisGMA-Styrene Thermoset
        • Introduction
        • Reactions
        • The Configuration File
        • Running the Build
        • Results
    • Examples Using htpolynet postsim and analyze
  • References
  • htpolynet package
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PolystyreneΒΆ

This tutorial illustrates how to build an all-atom model of a polystyrene system using htpolynet. It is the simplest possible example: a single monomer, a single cure reaction, and a cap reaction.

Contents:

  • Introduction
  • Monomer: Styrene
  • Reactions
  • The Configuration File
  • Running the Build
    • Build stages
    • Monitoring progress
  • Results
    • Using htpolynet plots
    • Post-simulation analyses
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Introduction
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Examples Using htpolynet run
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