Isotropic-nematic spinodals of rigid long thin rodlike colloids by event-driven Brownian dynamics simulations

Y.G. Tao, Wouter K. den Otter, J.K.G. Dhont, Willem J. Briels

Research output: Contribution to journalArticleAcademicpeer-review

41 Citations (Scopus)

Abstract

The isotropic-nematic spinodals of solutions of rigid spherocylindrical colloids with various shape anisotropies L/D in a wide range from 10 to 60 are investigated by means of Brownian dynamics simulations. To make these simulations feasible, we developed a new event-driven algorithm that takes the excluded volume interactions between particles into account as instantaneous collisions, but neglects the hydrodynamic interactions. This algorithm is applied to dense systems of highly elongated rods and proves to be efficient. The calculated isotropic-nematic spinodals lie between the previously established binodals in the phase diagram and extrapolate for infinitely long rods to Onsager's [Ann. N. Y. Acad. Sci. 51, 627 (1949)] theoretical predictions. Moreover, we investigate the shear induced shifts of the spinodals, qualitatively confirming the theoretical prediction of the critical shear rate at which the two spinodals merge and the isotropic-nematic phase transition ceases to exist.
Original languageEnglish
Article number134906
Number of pages10
JournalJournal of chemical physics
Volume124
Issue number13
DOIs
Publication statusPublished - 2006

Keywords

  • IR-59923
  • METIS-233735

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