@inproceedings{a39429fd16f94890b2fa0b1ec4da66e3,
title = "Supramolecular systems behavior at the air-water interface. Molecular dynamic simulation study",
abstract = "Atomistic molecular dynamics simulation (MDS) was development to investigate the structural and dynamic properties of a monolayer of supramolecular systems. The simulations were performed at room temperature, on inclusion complexes (ICs) of α-cyclodextrin (CD) with poly(ethylene-oxide) (PEO), poly(εcaprolactone)(PEC) and poly(tetrahydrofuran)(PTHF). The simulations were carried out for a surface area of 30{\AA}. The trajectories of the MDS show that the system more stable was IC-PEC, being the less stable IC-PEO. The disordered monolayer for the systems was proved by the orientation correlation function and the radial distribution function between the polar groups of ICs and the water molecules. We found that the system IC-PEC was more stable that the systems IC-PTHF and IC-PEO.",
author = "C. Sandoval and M. Saavedra and L. Gargallo and D. Radi{\'c}",
year = "2008",
doi = "10.1063/1.2989083",
language = "English",
isbn = "9780735405707",
series = "AIP Conference Proceedings",
pages = "87--89",
booktitle = "IVth International Conference on Times of Polymers (TOP) and Composites",
note = "4th International Conference on Times of Polymers (TOP) and Composites ; Conference date: 21-09-2008 Through 24-09-2008",
}