Computer Simulation of Adsorption in Simple Models of Molecularly Imprinted Polymers

Eduardo M. A. Dourado, Lev Sarkisov

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Molecular imprinting offers the possibility of novel porous materials whose selectivity rivals the molecular recognition observed in nature. The design of these materials requires a detailed understanding of the imprinting effect on material structure and performance. In this work, we present a simple model of imprinted porous materials, capturing molecular recognition phenomena.
Original languageEnglish
Title of host publicationProceedings of Modeling and Simulations of New Materials: 10th Granada Lectures
Publication statusPublished - 30 Jan 2009

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