Computer simulation of adsorption in simple models of molecularly imprinted polymers

Eduardo M. A. Dourado, Lev Sarkisov

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

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 publicationModeling and Simulation of New Materials
Subtitle of host publicationProceedings of Modeling and Simulation of New Materials: Tenth Granada Lectures. AIP Conference
Pages256-261
Number of pages6
Volume1091
Publication statusPublished - 2009

Publication series

NameAIP Conference Proceedings

Keywords

  • molecularly imprinted polymers
  • templating
  • molecular recognition
  • biomimetics

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