Create Polymer Configuaration with BoB

Contents

Summary

Create polymer configuration files using BoB v2.5 (Chinmay Das and Daniel Read). The configuration file created with this theory can then be analysed in the BoB LVE theory, in the LVE application of RepTate.

The original documentation of BoB can be found here: https://sourceforge.net/projects/bob-rheology/files/bob-rheology/bob2.3/bob2.3.pdf/download.

  • Parameters
    • M0 : Mass of a Monomer

    • Ne : Number of monomers in an entanglement length

    • Ratio : Ratio weight fraction occupied by component

    • Architecture : Polymer architecture type (e.g. Linear, Star, Comb, etc.)

    • Num. of polymer : Number of polymers to generate of the above architecture type

    • Num. generations : Number of generations (for Cayley architecture type only)

    • Distr. : Molecular weight distribution (e.g. Monodisperse, LogNormal, etc.)

    • Mw : Weight-average molecular weight

    • PDI : Polydispersity index (PDI \(=M_w/M_n\))

Publications related to BoB: [] [] [].

References