Eur. Phys. J. E 3, 221-225
A hybrid Monte Carlo approach to molecular aggregation in a porous medium
G.M. Foo1 - R.B. Pandey2
1 Supercomputing and Visualization Unit, Computer Center, National
University of Singapore, Singapore 119260
2 Department of Physics and Astronomy, University of Southern
Mississippi, Hattiesburg, MS 39406-5046, USA
ras.pandey@usm.edu
Received 29 October 1999 and Received in final form 19 January 2000
Abstract
A Monte Carlo simulation is used to study the
segregation of liquid crystal molecules (short chains) in a
heterogeneous matrix (of barrier concentration pb) in an
ordering field (E). Aggregation of molecules, pinned by the
matrix barriers, is enhanced at lower temperature (T) and higher
barrier concentrations via clusters of clustering growth. Variation
of the radial distribution function with T and pb, rms
displacement of molecules, and visual analysis of their
distribution reveal that the size of the molecular aggregates is
relatively larger and less dispersed at higher
pb (= 0.1)than that at a lower
pb (= 0.01) at T=0.2. The
orientational molecular ordering is found to be lower at low
temperature at higher pb. Molecules remain segregated at
higher temperatures unless the porosity is reduced and the ordering
field is increased considerably.
PACS
47.20.Hw Morphological instability; phase changes
- 61.30.Cz Theory and models of liquid crystal structure
- 64.75.+g Solubility, segregation, and mixing; phase separation
Copyright EDP Sciences, Società Italiana di Fisica, Springer-Verlag
