A molecular simulation study on β-cyclodextrins included in PEEK membrane

被引：7
|
作者：
Tocci, E [1 ]
Drioli, E
Hofmann, D
Russo, N
机构：
[1] Univ Calabria, Dipartimento Ingn Chim & Mat, I-87036 Arcavacata Di Rende, CS, Italy
[2] Univ Calabria, CNR, Dept Chem Engn & Mat, Inst Membrane & Chem Reactors, I-87030 Arcavacata Di Rende, Italy
[3] GKSS Forschungszentrum Geesthacht GmbH, Inst Chem, D-14513 Teltow, Germany
[4] Univ Calabria, Dipartimento Chim, I-87036 Arcavacata Di Rende, CS, Italy
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2001年 / 540卷
关键词：
cardo poly(ether ether-ketone); molecular dynamics; cyclodextrins;
D O I：
10.1016/S0166-1280(00)00621-7
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Molecular dynamics simulations have been performed on beta -cyclodextrins octyl- derivative (beta -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. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：15 / 21
页数：7
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