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Reference type: Book Chapter
Authors: Srebnik S
Publication date: 2002
Chapter title: Induced porosity in cross-linked polymer networks: Mean field theory and simulations.
Page numbers: 43-50.

Book title: Characterization Of Porous Solids VI
Edition: 144
Editors: Rodríguez-Reinoso F, McEnaney B, Rouquerol J, Unger KK
Publisher: Elsevier
City: Amsterdam
Series title: Studies in surface science and catalysis

Abstract: Molecularly imprinted polymers are formed through the self- assembly of functional monomers around a template or imprinting agent, followed by cross-linking of the monomers, to form a firm gel. Subsequently, the templates are removed to leave behind pores that are complementary in size, shape and functionality. Successful molecular imprinting of organic and inorganic gels requires the formation of a stable gel having a sufficiently large number of fully functional pores. We study the imprinting efficiency of gels made up of tetra-functional monomers using a simple statistical model that accounts for reaction kinetics. The equilibrium fraction and functionality of the imprinted pores are predicted as a function of the preparation conditions. The induced porous structure on the macromolecular level is investigated using molecular dynamics simulations of gelation of tetra-functional monomers in the presence of spacer molecules

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