polymer and water dynamics in poly(vinyl alcohol)poly(methacrylate) networks. a molecular dynamics simulation and incoherent neutron scattering investigation聚合物和水动力学在聚(乙烯醇)聚甲基丙烯酸(酯)网络。.pdf

Polymers 2011, 3, 1805-1832; doi:10.3390/polym3041805 OPEN ACCESS polymers ISSN 2073-4360 /journal/polymers Article Polymer and Water Dynamics in Poly(vinyl alcohol)/Poly(methacrylate) Networks. A Molecular Dynamics Simulation and Incoherent Neutron Scattering Investigation Gaio Paradossi 1, Ivana Finelli 1, Francesca Natali 2, Mark T. F. Telling 3,4 and Ester Chiessi 1,* 1 Department of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 000133 Rome, Italy; E-Mails: gaio.paradossi@uniroma2.it (G.P.); ivana.finelli@ uniroma2.it (I.F.) 2 CNR OGG and CRS-SOFT, c/o ILL, 6 Rue Jules Horowitz, BP 156-38042 Grenoble, France; E-Mail: natali@ill.fr (F.N.) 3 Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK; E-Mail: mark.telling@materials.ox.ac.uk (M.T.F.T.) 4 ISIS Facility, STFC, Rutherford Appleton Laboratory, Chilton, OX11 OQX, UK; E-Mail: mark.telling@stfc.ac.uk (M.T.F.T.) * Author to whom correspondence should be addressed; E-Mail: ester.chiessi@uniroma2.it; Tel.: +39-06-7259-4462; Fax: +39-06-7259-4328. Received: 11 August 2011; in revised form: 20 September 2011 / Accepted: 13 October 2011 / Published: 17 October 2011 Abstract: Chemically cross-linked polymer networks of poly(vinyl alcohol)/poly(methacrylate) form monolitic hydrogels and microgels suitable for biomedical applications, such as in situ tissue replacement and drug delivery. In this work, molecular dynamics (MD) simulation and incoherent neutron scattering methods are used to s