Free Volume in a PVME Polymer–Water Solution

  title={Free Volume in a PVME Polymer–Water Solution},
  author={Sara Capponi and Fernando Alvarez and Du{\vs}an Ra{\vc}ko},
Molecular dynamics simulations of poly(vinyl methyl ether) in aqueous solution with weight concentration cw = 30% were performed in a wide temperature range by simulated cooling between 400 and 175... 
1 Citations
Dynamic behaviour of water molecules in heterogeneous free space formed in an epoxy resin.
A full-atomistic molecular dynamics simulation was applied to study where water molecules exist in an epoxy resin and how they dynamically behave to find that several water molecules were clustered at a preferred site, where hydrogen bonds can be formed with hydroxy, ether and amino groups of the network, in the free space.


Molecular dynamics simulation of polymer liquid and glass. 4. Free-volume distribution
The distribution of occupied and unoccupied volumes within n-alcane systems as they are quenched from the supercooled liquid to the glassy state is studied by the technique of Voronoi tessellation of
Molecular Dynamics Study of Polymer−Water Interaction in Hydrogels. 1. Hydrogen-Bond Structure
Molecular dynamics simulations have been performed for hydrogel models of poly(vinyl alcohol) (PVA), poly(vinyl methyl ether) (PVME), and poly(N-isopropylacrylamide) (PNiPAM). The spatial
Molecular diffusion in polymer solutions
Methods for estimating mutual diffusion coefficients for polymer-solvent systems are reviewed. Procedures are recommended for the determination of the temperature, concentration, and molecular weight
New Correlations in Polymer Blend Miscibility
We present new correlations revealed by our study of polymer mixture miscibility. Applying our simple lattice-based equation of state, we search for patterns in a large sample of experimental blend...
Interaction of water with poly(vinyl methyl ether) in aqueous solution
Near-infrared, viscometric, and calorimetric measurements were made on aqueous poly(vinyl methyl ether) (PVME) solutions at temperatures between 15 and 43°C. We found a hydrogen-bonded structure of
Molecular Dynamics Study of Polymer-Water Interaction in Hydrogels. 2. Hydrogen-Bond Dynamics
Molecular dynamics simulations have been performed for hydrogel models of poly(vinyl alcohol) (PVA), poly(vinyl methyl ether) (PVME), and poly(N-isopropylacrylamide) (PNiPAM). The dynamics of
Water–Polymer interactions in PVME hydrogels – Raman spectroscopy studies
Abstract Raman spectroscopy was used to investigate molecular interactions and structure of water in PVME hydrogels of various crosslinking degrees. Analysis of polymer ν(CH 3 ) and ν(CH 2 )
Zero and Off-Zero Critical Concentrations in Systems Containing Polydisperse Polymers † with Very High Molar Masses. 2. The System Water-Poly(vinyl methyl ether)
Cloud-point curves by DSC measurements at different scanning rates on solutions of two samples of poly(vinyl methyl ether) in water show two minima in a temperature−composition plot. The significance
Dielectric Investigation of the Low-Temperature Water Dynamics in the Poly(vinyl methyl ether)/H2O System
Broadband dielectric spectroscopy (10-1−106 Hz) and differential scanning calorimetry measurements have been performed to study the molecular dynamics of water solutions of poly(vinyl methyl ether)
Poly(vinyl methyl ether) hydrogels at temperatures below the freezing point of water—molecular interactions and states of water
This work determines the amount of water bound to the polymer and of the so-called pre-melting water in poly(vinyl methyl ether) hydrogels with the use of Raman spectroscopy, dielectric spectroscopic, and calorimetry and postulates the molecular mechanism responsible for the pre-Melting of part of water inpoly(vinYL methyl ether), which is suggested to be above −60 °C.