Molecular dynamics simulation of the phase behavior of lamellar amphiphilic model systems

@inproceedings{Guo2003MolecularDS,
  title={Molecular dynamics simulation of the phase behavior of lamellar amphiphilic model systems},
  author={Hongxia Guo and Kurt Kremer},
  year={2003}
}
Using efficient simplified continuum amphiphile models-AB dimers, A2B2 tetramers, and A4B4 octamers-as models for diblock copolymers, surfactants and liquid crystals, the phase behavior of the corresponding lamellar systems is investigated by large-scale parallelized dissipative particle dynamics type of molecular dynamics simulation. We not only observe the first order nature of the order–disorder transition, but also find that this first order phase transition becomes weaker as the block… CONTINUE READING