title: Thinking in Terms of Structure-Activity-Relationships (T-SAR): A Tool to Better Understand Nanofiltration Membranes.
abstract: A frontier to be conquered in the field of membrane technology is related to the very limited scientific base for the rational and task-specific design of membranes. This is especially true for nanofiltration membranes with properties that are based on several solute-membrane interaction mechanisms. "Thinking in terms of Structure-Activity-Relationships" (T-SAR) is a methodology which applies a systematic analysis of a chemical entity based on its structural formula. However, the analysis become more complex with increasing size of the molecules considered. In this study, T-SAR was combined with classical membrane characterization methods, resulting in a new methodology which allowed us not only to explain membrane characteristics, but also provides evidence for the importance of the chemical structure for separation performance. We demonstrate an application of the combined approach and its potential to discover stereochemistry, molecular interaction potentials, and reactivity of two FilmTec nanofiltration membranes (NF-90 and NF-270). Based on these results, it was possible to predict both properties and performance in the recovery of hydrophobic ionic liquids from aqueous solution.
authors: UFT, Department of Chemical Engineering-Recovery and Recycling, University of Bremen, Bremen, 28359, Germany. jo_fe@uni-bremen.de.
authors: José F
authors: JF
authors: Fernández
authors: UFT, Department of Sustainable Chemistry, University of Bremen, Bremen, 28359, Germany. bernd.jastorff@t-online.de.
authors: Bernd
authors: B
authors: Jastorff
authors: UFT, Department of Sustainable Chemistry, University of Bremen, Bremen, 28359, Germany. rstoerm@uni-bremen.de.
authors: Reinhold
authors: R
authors: Störmann
authors: UFT, Department of Sustainable Chemistry, University of Bremen, Bremen, 28359, Germany. sstolte@uni-bremen.de.
authors: Stefan
authors: S
authors: Stolte
authors: UFT, Department of Chemical Engineering-Recovery and Recycling, University of Bremen, Bremen, 28359, Germany. thoeming@uni-bremen.de.
authors: Jorg
authors: J
authors: Thöming