A molecular dynamics simulation is employed to investigate the effects of nano-SiO2 particles on the properties of polyvinyl alcohol (PVA)/poly(vinyl pyrrolidone) (PVP) blends and demonstrate the interaction mechanism of nano-SiO2 particles in blend systems. Six blend systems with different concentrations of SiO2 particles (0–12.8%) and two interfacial interaction models of polymers on the SiO2 surface were designed and analyzed in terms of density distribution, mechanical properties, fractional free volume, and X-ray diffraction patterns. The incorporation of nano-SiO2 particles into the PVA/PVP blend systems increased their mechanical properties, densities, and semicrystalline character. Density distribution analysis indicated PVA molecular chains are more easily adsorbed on the SiO2 surface than PVP molecular chains. Finally, an analysis of binding energies and pair correlation functions of interfacial interaction models revealed the interaction mechanism of nano-SiO2 particles in PVA/PVP systems. Hydrogen bond interactions between polar functional groups in polymer molecular chains and the hydroxyl groups of the SiO2 surface are involved in adsorption of the polymers on the SiO2 surface and explain why nano-SiO2 particles can significantly influence the properties of PVA/PVP systems.
Journal of Materials Science – Springer Journals
Published: Jul 21, 2017
It’s your single place to instantly
discover and read the research
that matters to you.
Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.
All for just $49/month
Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly
Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.
Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.
Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.
All the latest content is available, no embargo periods.
“Hi guys, I cannot tell you how much I love this resource. Incredible. I really believe you've hit the nail on the head with this site in regards to solving the research-purchase issue.”Daniel C.
“Whoa! It’s like Spotify but for academic articles.”@Phil_Robichaud
“I must say, @deepdyve is a fabulous solution to the independent researcher's problem of #access to #information.”@deepthiw
“My last article couldn't be possible without the platform @deepdyve that makes journal papers cheaper.”@JoseServera