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A molecular simulation study on β-cyclodextrins included in PEEK membrane |
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| Authors: | E. Tocci E. Drioli D. Hofmann N. Russo |
| Affiliation: | a Dipartimento di Ingegneria Chimica e Materiali, Università della Calabria, I-87036 Arcavacata di Rende (CS), Italy b Institute on Membrane and Chemical Reactors, Department of Chemical Engineering and Materials, CNR c/o University of Calabria, I-87030 Arcavacata di Rende, Italy c GKSS Research Center, Institute of Chemistry, Kantstr. 55, D-14513 Teltow, Germany d Dipartimento di Chimica, Università della Calabria, I-87036 Arcavacata di Rende (CS), Italy |
| Abstract: | Molecular dynamics simulations have been performed on β-cyclodextrins octyl- derivative (β-CD) encapsulated into a polymer matrix of glassy poly(ether ether-ketone) material. Results considering the internal motion and dynamical features of the cyclodextrins in this environment are given and discussed. |
| Keywords: | Cardo poly(ether ether-ketone) Molecular dynamics Cyclodextrins |
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