FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3000358634> ?p ?o ?g. }

• W3000358634 endingPage "249" @default.
• W3000358634 startingPage "249" @default.
• W3000358634 abstract "Thermodynamic, structural, and transport properties of tetrabutylphosphonium hydroxide (TBPH) and tetrabutylphosphonium chloride (TBPCl)–water mixtures have been investigated using all-atom molecular dynamics simulations in response to recent experimental work showing the TBPH–water mixtures capability as a cellulose solvent. Multiple transitional states exist for the water—ionic liquid (IL) mixture between 70 and 100 mol% water, which corresponds to a significant increase in water hydrogen bonds. The key transitional region, from 85 to 92.5 mol% water, which coincides with the mixture’s maximum cellulose solubility, reveals small and distinct water veins with cage structures formed by the TBP+ ions, while the hydroxide and chloride ions have moved away from the P atom of TBP+ and are strongly hydrogen bonded to the water. The maximum cellulose solubility of the TBPH–water solution at approximately 91.1 mol% water, appears correlated with the destruction of the TBP’s interlocking structure in the simulations, allowing the formation of water veins and channeling structures throughout the system, as well as changing from a subdiffusive to a near-normal diffusive regime, increasing the probability of the IL’s interaction with the cellulose polymer. A comparison is made between the solution properties of TBPH and TBPCl with those of alkylimidazolium-based ILs, for which water appears to act as anti-solvent rather than a co-solvent." @default.
• W3000358634 created "2020-01-23" @default.
• W3000358634 creator A5041490696 @default.
• W3000358634 creator A5052065896 @default.
• W3000358634 date "2020-01-20" @default.
• W3000358634 modified "2023-09-26" @default.
• W3000358634 title "Thermodynamic and Transport Properties of Tetrabutylphosphonium Hydroxide and Tetrabutylphosphonium Chloride–Water Mixtures via Molecular Dynamics Simulation" @default.
• W3000358634 cites W1770985123 @default.
• W3000358634 cites W1966078827 @default.
• W3000358634 cites W1966921995 @default.
• W3000358634 cites W1973289313 @default.
• W3000358634 cites W1976499671 @default.
• W3000358634 cites W1978278823 @default.
• W3000358634 cites W1981534572 @default.
• W3000358634 cites W1984104023 @default.
• W3000358634 cites W1987931160 @default.
• W3000358634 cites W1991414715 @default.
• W3000358634 cites W1993168238 @default.
• W3000358634 cites W2000456051 @default.
• W3000358634 cites W2003949305 @default.
• W3000358634 cites W2006469960 @default.
• W3000358634 cites W2008744920 @default.
• W3000358634 cites W2013885842 @default.
• W3000358634 cites W2016533177 @default.
• W3000358634 cites W2017835622 @default.
• W3000358634 cites W2019465613 @default.
• W3000358634 cites W2024891605 @default.
• W3000358634 cites W2028046413 @default.
• W3000358634 cites W2029667189 @default.
• W3000358634 cites W2031341472 @default.
• W3000358634 cites W2038532826 @default.
• W3000358634 cites W2039786651 @default.
• W3000358634 cites W2055230590 @default.
• W3000358634 cites W2058078276 @default.
• W3000358634 cites W2058657879 @default.
• W3000358634 cites W2059167041 @default.
• W3000358634 cites W2065128504 @default.
• W3000358634 cites W2065329899 @default.
• W3000358634 cites W2083084693 @default.
• W3000358634 cites W2086295275 @default.
• W3000358634 cites W2090009456 @default.
• W3000358634 cites W2098943363 @default.
• W3000358634 cites W2106140689 @default.
• W3000358634 cites W2122199548 @default.
• W3000358634 cites W2129299583 @default.
• W3000358634 cites W2138199172 @default.
• W3000358634 cites W2156851029 @default.
• W3000358634 cites W2165861896 @default.
• W3000358634 cites W2232065338 @default.
• W3000358634 cites W2312754530 @default.
• W3000358634 cites W2313539804 @default.
• W3000358634 cites W2323178299 @default.
• W3000358634 cites W2331855253 @default.
• W3000358634 cites W2337900181 @default.
• W3000358634 cites W2465521777 @default.
• W3000358634 cites W2513259757 @default.
• W3000358634 cites W2621202020 @default.
• W3000358634 cites W2908749742 @default.
• W3000358634 cites W2922193253 @default.
• W3000358634 cites W3017082821 @default.
• W3000358634 doi "https://doi.org/10.3390/polym12010249" @default.
• W3000358634 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7240556" @default.
• W3000358634 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32325982" @default.
• W3000358634 hasPublicationYear "2020" @default.
• W3000358634 type Work @default.
• W3000358634 sameAs 3000358634 @default.
• W3000358634 citedByCount "5" @default.
• W3000358634 countsByYear W30003586342020 @default.
• W3000358634 countsByYear W30003586342021 @default.
• W3000358634 countsByYear W30003586342022 @default.
• W3000358634 countsByYear W30003586342023 @default.
• W3000358634 crossrefType "journal-article" @default.
• W3000358634 hasAuthorship W3000358634A5041490696 @default.
• W3000358634 hasAuthorship W3000358634A5052065896 @default.
• W3000358634 hasBestOaLocation W30003586341 @default.
• W3000358634 hasConcept C112887158 @default.
• W3000358634 hasConcept C127413603 @default.
• W3000358634 hasConcept C145148216 @default.
• W3000358634 hasConcept C147597530 @default.
• W3000358634 hasConcept C147789679 @default.
• W3000358634 hasConcept C154881586 @default.
• W3000358634 hasConcept C155574463 @default.
• W3000358634 hasConcept C161790260 @default.
• W3000358634 hasConcept C178790620 @default.
• W3000358634 hasConcept C179104552 @default.
• W3000358634 hasConcept C184651966 @default.
• W3000358634 hasConcept C185592680 @default.
• W3000358634 hasConcept C2182769 @default.
• W3000358634 hasConcept C2775896084 @default.
• W3000358634 hasConcept C2778695967 @default.
• W3000358634 hasConcept C2779251873 @default.
• W3000358634 hasConcept C2780471494 @default.
• W3000358634 hasConcept C32909587 @default.
• W3000358634 hasConcept C42360764 @default.
• W3000358634 hasConcept C59593255 @default.
• W3000358634 hasConceptScore W3000358634C112887158 @default.
• W3000358634 hasConceptScore W3000358634C127413603 @default.
• W3000358634 hasConceptScore W3000358634C145148216 @default.

• next