Modelling polymers in solutions and the self-assembly of block copolymers via coarse-grained SAFT-γ Mie simulations


A new methodology for parameterising coarse-grained forcefields to model polymers in molecular dynamics simulations is presented, using the recently developed SAFT-γ Mie equation of state [1]. This parameterization approach... [ view full abstract ]


  1. Maziar Fayaz-Torshizi (Imperial College London, Department of Chemical Engineering)
  2. Erich A Muller (Imperial College London)

Topic Areas

Engineered self-assembly , Challenges and advances in fluid phase equilibria


P1 » Poster Session I & Evening Reception (18:30 - Tuesday, 5th September, John McIntyre Conference Centre )

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