Modeling Chain Molecules

• Detailed models use full array of potentials discussed previously

  • LJ atoms, with torsion, bend, stretch intramolecular potentials

• Other models try to explain qualitative features of polymer behavior

  • hard- or soft-sphere atoms, only stretch
    bead-spring; tangent spheres; finitely-extensible nonlinear elastic (FENE)
    
  • each unit of model might represent a multi-unit segment of the true polymer
  • only feasible approach for very long chains
     units
    

• Lattice models are very helpful

  • discretize space
    various choices for lattice symmetry
    
  • chain occupies contiguous sites on lattice
  • one chain unit per site

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