From gas-liquid to liquid crystalline phase behavior via anisotropic attraction: a computer simulation study.

نویسندگان

  • Wen-Ze Ouyang
  • Reinhard Hentschke
چکیده

The partial phase behavior of a continuum molecular model for self-assembling semiflexible equilibrium polymers is studied via Monte Carlo and molecular dynamics simulation. We investigate the transfer from ordinary gas-liquid coexistence to the appearance of liquid crystallinity driven by excluded volume interaction between rodlike aggregates. The transfer between the two types of phase behavior is governed by a tunable anisotropic attractive interaction between monomer particles. The relation to dipolar fluid models, which are also known to form reversible chains, is discussed.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 127 16  شماره 

صفحات  -

تاریخ انتشار 2007