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 LABà 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)