Past Seminars Seminários Já Decorridos 2012

A classical density functional theory study of the self–assembly of rod–coil amphiphiles at liquid interfaces

By: Ben Marshal
From: Rice University
At: Instituto de Investigação Interdisciplinar, Anfiteatro
[2012-10-23] 14:00

The self–assembly of nanomaterials into ordered structures holds promise to create a new generation of high performance materials. The oil/water interface has long been used as a template to direct the self–assembly of amphiphilic molecules and colloids. Can we design amphiphilic rod–coil molecules which self assemble at the oil/water interface with a preferred orientation? To help answer this question we perform an extensive classical density functional theory study of a model ternary oil/water/rod-coil interfacial system. Through our analysis we show that the rod–coils align in primarily parallel or perpendicular orientations in relation to the interface. The fraction in each orientation can be manipulated by changing rod–coil geometry and loading at the interface. It is also shown that the orientation of rod–coils relative to the interface has a profound effect on interfacial tension.