(490f) A Composite-Sphere Model for Janus Colloids with Central Force Potentials: Structures, Thermodynamic Properties, and Phase Behavior | AIChE

(490f) A Composite-Sphere Model for Janus Colloids with Central Force Potentials: Structures, Thermodynamic Properties, and Phase Behavior

Authors 

Lee, L. L. - Presenter, The California State University Pomona
Pellicane, G., University of Kwazulu-Natal

We construct a
“composite-sphere” model for polyatomic molecules characterized by a group of
spheres that can “polymerize” by assembling into a structured molecule with
prescribed bond lengths. A simplest example is a pair of spheres of species A
and B with hard-core diameters dAand dB that can form a
dimer (a dumbbell molecule) with bond length LAB such that LAB < dA
+ dB (fused spheres).   LAB can assume arbitrary value so as to produce the desired
dimeric molecule that can be either a tangent disphere or a fused disphere.  In the limit LAB à δ (very small but >0), the dumbbell approaches the Janus-type
colloidal particle.  Since we preserve
the central forces as the interactions of these moieties, the isotropic
Ornstein-Zernike equation can be use.  An
accurate closure relation is applied.  We
shall present the structure, thermodynamic properties and phase diagrams of
such colloids.

Reference:

Lloyd L. Lee, Giuseppe Pellicane “Towards composite spheres as
building blocks for structured molecules,
J. Phys.: Condens. Matter 28,
414008 (2016)

SDH