FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2971387975> ?p ?o ?g. }

• W2971387975 endingPage "24006" @default.
• W2971387975 startingPage "23995" @default.
• W2971387975 abstract "The glass-transition temperature (Tg) of a polymer–nanoparticle composite system is strongly dependent on the local segmental dynamics of the polymers. These dynamics, in turn, are dependent on the types of interfacial interactions that exist between the nanoparticle and the polymers. In this work, we investigate the magnitude of Tg change with respect to the polymer–nanoparticle interactions by performing molecular dynamics simulations for a full-atomistic model of poly(vinyl alcohol) (PVA)–silica nanocomposites. Our segmental dynamics analysis and potential of mean force calculations indicate that the strong binding interaction between the hydroxylated-silica surface and the poly(vinyl alcohol) (PVA) is able to induce an increase in the Tg of the composite system with respect to the bulk PVA polymer system. While we expect that the Tg of the system will increase with an increasing amount of hydrogen bonds arising from the increasing surface hydroxylation, the trend of increasing Tg reaches a maximum when the surface is about 75% hydroxylated. Beyond 75% hydroxylation, we see a drop in the Tg. The detailed analysis of the interfacial hydrogen-bonding counts, strengths, and radial distributions sheds light on the underlying factors that induce the drop in the Tg beyond 75% hydroxylation. We found that the competition between inter-PVA–silanol and intra-silanol–silanol interactions is the key factor that contributes to the drop in Tg. Our results allude to the fact that the count and strengths of the different kinds of hydrogen bonds in a polymer–nanocomposite system can be modulated to enable the optimization of the Tg change desired for specific applications." @default.
• W2971387975 created "2019-09-12" @default.
• W2971387975 creator A5009707798 @default.
• W2971387975 creator A5041697987 @default.
• W2971387975 creator A5056056743 @default.
• W2971387975 date "2019-09-04" @default.
• W2971387975 modified "2023-10-18" @default.
• W2971387975 title "Achieving an Optimal <i>T</i>_g Change by Elucidating the Polymer–Nanoparticle Interface: A Molecular Dynamics Simulation Study of the Poly(vinyl alcohol)–Silica Nanocomposite System" @default.
• W2971387975 cites W1966078827 @default.
• W2971387975 cites W1966801666 @default.
• W2971387975 cites W1972615337 @default.
• W2971387975 cites W1984653526 @default.
• W2971387975 cites W1987290003 @default.
• W2971387975 cites W1987615328 @default.
• W2971387975 cites W1989753444 @default.
• W2971387975 cites W1993177346 @default.
• W2971387975 cites W1996597296 @default.
• W2971387975 cites W2002914903 @default.
• W2971387975 cites W2004167300 @default.
• W2971387975 cites W2009539798 @default.
• W2971387975 cites W2014658339 @default.
• W2971387975 cites W2020795839 @default.
• W2971387975 cites W2022996495 @default.
• W2971387975 cites W2024815910 @default.
• W2971387975 cites W2025156271 @default.
• W2971387975 cites W2034319313 @default.
• W2971387975 cites W2035084732 @default.
• W2971387975 cites W2038930631 @default.
• W2971387975 cites W2043150454 @default.
• W2971387975 cites W2043812489 @default.
• W2971387975 cites W2046097259 @default.
• W2971387975 cites W2049310619 @default.
• W2971387975 cites W2052563605 @default.
• W2971387975 cites W2057477511 @default.
• W2971387975 cites W2058951100 @default.
• W2971387975 cites W2070753604 @default.
• W2971387975 cites W2074510590 @default.
• W2971387975 cites W2081693079 @default.
• W2971387975 cites W2083754759 @default.
• W2971387975 cites W2092246189 @default.
• W2971387975 cites W2092956046 @default.
• W2971387975 cites W2094869367 @default.
• W2971387975 cites W2101727111 @default.
• W2971387975 cites W2112154906 @default.
• W2971387975 cites W2112777194 @default.
• W2971387975 cites W2113668617 @default.
• W2971387975 cites W2124445843 @default.
• W2971387975 cites W2128572087 @default.
• W2971387975 cites W2159336807 @default.
• W2971387975 cites W2159838035 @default.
• W2971387975 cites W2161211596 @default.
• W2971387975 cites W2171268876 @default.
• W2971387975 cites W2278515130 @default.
• W2971387975 cites W2284475944 @default.
• W2971387975 cites W2296513100 @default.
• W2971387975 cites W2321520710 @default.
• W2971387975 cites W2327066050 @default.
• W2971387975 cites W2327534475 @default.
• W2971387975 cites W2327670608 @default.
• W2971387975 cites W2402910663 @default.
• W2971387975 cites W2483654653 @default.
• W2971387975 cites W2533812854 @default.
• W2971387975 cites W2596626906 @default.
• W2971387975 cites W2734360736 @default.
• W2971387975 cites W2736024521 @default.
• W2971387975 cites W2742033478 @default.
• W2971387975 cites W2745208072 @default.
• W2971387975 cites W2770180304 @default.
• W2971387975 cites W2794179757 @default.
• W2971387975 cites W2804863490 @default.
• W2971387975 cites W2898449148 @default.
• W2971387975 doi "https://doi.org/10.1021/acs.jpcc.9b05545" @default.
• W2971387975 hasPublicationYear "2019" @default.
• W2971387975 type Work @default.
• W2971387975 sameAs 2971387975 @default.
• W2971387975 citedByCount "14" @default.
• W2971387975 countsByYear W29713879752020 @default.
• W2971387975 countsByYear W29713879752021 @default.
• W2971387975 countsByYear W29713879752022 @default.
• W2971387975 countsByYear W29713879752023 @default.
• W2971387975 crossrefType "journal-article" @default.
• W2971387975 hasAuthorship W2971387975A5009707798 @default.
• W2971387975 hasAuthorship W2971387975A5041697987 @default.
• W2971387975 hasAuthorship W2971387975A5056056743 @default.
• W2971387975 hasConcept C112887158 @default.
• W2971387975 hasConcept C127413603 @default.
• W2971387975 hasConcept C147597530 @default.
• W2971387975 hasConcept C155672457 @default.
• W2971387975 hasConcept C159467904 @default.
• W2971387975 hasConcept C159985019 @default.
• W2971387975 hasConcept C161790260 @default.
• W2971387975 hasConcept C171250308 @default.
• W2971387975 hasConcept C175634916 @default.
• W2971387975 hasConcept C178790620 @default.
• W2971387975 hasConcept C185592680 @default.
• W2971387975 hasConcept C188027245 @default.
• W2971387975 hasConcept C192562407 @default.
• W2971387975 hasConcept C2777581007 @default.

• next