DocumentCode
2533235
Title
A self-consistent theory of polymer solvation
Author
Livadaru, Lucian ; Kovalenko, Andriy
Author_Institution
Nat. Inst. for Nanotechnology, Nat. Res. Council of Canada, Edmonton, Alta., Canada
fYear
2005
fDate
24-27 July 2005
Firstpage
400
Lastpage
401
Abstract
We propose a self-consistent molecular theory of conformational properties of flexible polymers in melts and solutions. The method employs the Polymer Reference Interaction Site Model for the intermolecular correlations and the Green functions technique for the intramolecular correlations. We demonstrate this method on n-alkane molecules in different environments: water, hexane, and in melt, corresponding to poor good, and θ-condition, respectively.
Keywords
SCF calculations; polymer melts; polymer solutions; solvation; Green functions technique; conformational properties; flexible polymer solvation; hexane; intermolecular correlations; n-alkane molecules; polymer reference interaction site model; self-consistent theory; water; Bonding; Computer simulation; Councils; Equations; Fourier transforms; Green function; Liquids; Nanotechnology; Polymers; Solvents;
fLanguage
English
Publisher
ieee
Conference_Titel
MEMS, NANO and Smart Systems, 2005. Proceedings. 2005 International Conference on
Print_ISBN
0-7695-2398-6
Type
conf
DOI
10.1109/ICMENS.2005.18
Filename
1540862
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