Molecular modeling of responsive polymer films

MARIO TAGLIAZUCCHI; CALVO, ERNESTO J.; IGAL SZLEIFER

AICHE JOURNAL

JOHN WILEY & SONS INC

Lugar: New York; Año: 2010 vol. 56 p. 1952 - 1959

0001-1541

In this Perspective, we will describe recent work on the molecular modeling of the coupling between chemical equilibrium and physical interactions in three systems. These systems incorporate different aspects of acid-base and redox chemical equilibrium coupled with hydrophobic polymers. The basic competition presented in these systems is the tendency of the backbone to collapse in order to avoid contact with the solvent and the need of the charged redox and/or acid groups to be surrounded by water. We will describe in detail how these systems self-assemble depending on the type of hydrophobic backbone and polymer surface coverage for different solution conditions and how they respond to changes in pH and ionic strength