2008 NSTI Nanotechnology Conference and Trade Show - Nanotech 2008 - 11th Annual

Partnering Events:

TechConnect Summit
Clean Technology 2008

A Library for Multiscale Modeling in Soft Nanotechnology

K.A. Smith, J.G.E.M. Fraaije
Culgi Inc., US

Keywords:
polymers, nanocomposites, microemulsions, multiscale modeling

Abstract:
Multiscale modeling plays an important role in the study of soft matter systems (polymers, colloids, surfactants). We will discuss a new mesoscopic bead-field hybrid method and its application to specific industrial problems. The method combines dynamic density functional theory, a field based model developed for polymer materials, with particle representations of molecules present at low concentrations (such as surfactant). Coupling between the bead and field components is designed to correctly reproduce thermodynamic behavior. We will presents results using this model to study: (i) the structure and release properties of poly(lactic acid) and poly(lactic-glycolic acid) copolymer microspheres for use in drug delivery and (ii) the design of long chain amphiphilic ‘linker’ molecules that strongly segregate at oil-water interfaces and are highly effective in stabilizing microemulsions in oil recovery.


Nanotech 2008 Conference Program Abstract