Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 130, Issue 4, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3058435
Keywords
aggregation; drops; Lennard-Jones potential; liquid theory; molecular dynamics method; nematic liquid crystals; solvent effects
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The aggregation of liquid crystal nanodroplets from a homogeneous solution is studied by molecular dynamics simulations. The liquid crystal particles are modeled as elongated ellipsoidal Gay-Berne particles while the solvent is modeled as spherical Lennard-Jones particles. Extending previous studies of Berardi [J. Chem. Phys. 126, 044905 (2007)], we find that liquid crystal nanodroplets are not stable and that after sufficiently long times the nanodroplets always aggregate into a single large droplet. Results describing the droplet shape and orientation for different temperatures and shear rates are presented. The implementation of the Gay-Berne potential for biaxial ellipsoidal particles in a parallel molecular dynamics code is also briefly discussed.
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