FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1990899558> ?p ?o ?g. }

• W1990899558 endingPage "5773" @default.
• W1990899558 startingPage "5767" @default.
• W1990899558 abstract "Molecular dynamic simulations with polarizable potentials were performed to systematically investigate the distribution of NaCl, NaBr, NaI, and SrCl2 at the air/liquid methanol interface. The density profiles indicated that there is no substantial enhancement of anions at the interface for the NaX systems, in contrast to what was observed at the air/aqueous interface. The surfactant-like shape of the larger more polarizable halide anions, which is part of the reason they are driven to air/aqueous interfaces, was compensated by the surfactant nature of methanol itself. These halide anions had on average an induced dipole of moderate magnitude in bulk methanol. As a consequence, methanol hydroxy groups donated hydrogen bonds to anions where the negatively charged side of the anion induced dipole pointed, and methyl groups interacted with anions where the positively charged side of the anion-induced dipole pointed. Furthermore, salts were found to disrupt the surface structure of methanol. For the neat air/liquid methanol interface, there is relative enhancement of methyl groups at the outer edge of the air/liquid methanol interface in comparison with hydroxy groups, but with the addition of NaX this enhancement was reduced somewhat. Finally, with the additional of salts to methanol, the computed surface potentials decreased, which is in contrast to what is observed in corresponding aqueous systems, where the surface potential increases with the addition of salts. Both of these trends have been indirectly observed with experiments. The surface potential trends were found to be due to the greater propensity of anions for the air/water interface that is not present at the air/liquid methanol interface." @default.
• W1990899558 created "2016-06-24" @default.
• W1990899558 creator A5000269994 @default.
• W1990899558 creator A5031310157 @default.
• W1990899558 creator A5035619090 @default.
• W1990899558 date "2010-10-12" @default.
• W1990899558 modified "2023-10-18" @default.
• W1990899558 title "Computational Study of Ion Distributions at the Air/Liquid Methanol Interface" @default.
• W1990899558 cites W1571744663 @default.
• W1990899558 cites W1966165119 @default.
• W1990899558 cites W1966176489 @default.
• W1990899558 cites W1968003297 @default.
• W1990899558 cites W1969792361 @default.
• W1990899558 cites W1972175237 @default.
• W1990899558 cites W1978295249 @default.
• W1990899558 cites W1978463979 @default.
• W1990899558 cites W1978496774 @default.
• W1990899558 cites W1979574222 @default.
• W1990899558 cites W1991654868 @default.
• W1990899558 cites W1995480689 @default.
• W1990899558 cites W1995669675 @default.
• W1990899558 cites W2003003096 @default.
• W1990899558 cites W2012434595 @default.
• W1990899558 cites W2012763088 @default.
• W1990899558 cites W2017297771 @default.
• W1990899558 cites W2018232441 @default.
• W1990899558 cites W2019134072 @default.
• W1990899558 cites W2019784005 @default.
• W1990899558 cites W2021558772 @default.
• W1990899558 cites W2023315988 @default.
• W1990899558 cites W2025453391 @default.
• W1990899558 cites W2026226048 @default.
• W1990899558 cites W2035687084 @default.
• W1990899558 cites W2041638983 @default.
• W1990899558 cites W2044746089 @default.
• W1990899558 cites W2048106802 @default.
• W1990899558 cites W2048669879 @default.
• W1990899558 cites W2057979497 @default.
• W1990899558 cites W2059558309 @default.
• W1990899558 cites W2068386134 @default.
• W1990899558 cites W2075320109 @default.
• W1990899558 cites W2079113932 @default.
• W1990899558 cites W2083164919 @default.
• W1990899558 cites W2083407560 @default.
• W1990899558 cites W2115706239 @default.
• W1990899558 cites W2127187065 @default.
• W1990899558 cites W2132697742 @default.
• W1990899558 cites W2166066230 @default.
• W1990899558 cites W2167590372 @default.
• W1990899558 cites W2168689352 @default.
• W1990899558 cites W2990954466 @default.
• W1990899558 cites W3100428571 @default.
• W1990899558 doi "https://doi.org/10.1021/jp107563e" @default.
• W1990899558 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20939498" @default.
• W1990899558 hasPublicationYear "2010" @default.
• W1990899558 type Work @default.
• W1990899558 sameAs 1990899558 @default.
• W1990899558 citedByCount "6" @default.
• W1990899558 countsByYear W19908995582012 @default.
• W1990899558 countsByYear W19908995582013 @default.
• W1990899558 countsByYear W19908995582016 @default.
• W1990899558 countsByYear W19908995582019 @default.
• W1990899558 crossrefType "journal-article" @default.
• W1990899558 hasAuthorship W1990899558A5000269994 @default.
• W1990899558 hasAuthorship W1990899558A5031310157 @default.
• W1990899558 hasAuthorship W1990899558A5035619090 @default.
• W1990899558 hasConcept C112887158 @default.
• W1990899558 hasConcept C113196181 @default.
• W1990899558 hasConcept C139287275 @default.
• W1990899558 hasConcept C145148216 @default.
• W1990899558 hasConcept C147597530 @default.
• W1990899558 hasConcept C147789679 @default.
• W1990899558 hasConcept C159467904 @default.
• W1990899558 hasConcept C171560689 @default.
• W1990899558 hasConcept C173523689 @default.
• W1990899558 hasConcept C178790620 @default.
• W1990899558 hasConcept C179104552 @default.
• W1990899558 hasConcept C184651966 @default.
• W1990899558 hasConcept C185592680 @default.
• W1990899558 hasConcept C2779607525 @default.
• W1990899558 hasConcept C32909587 @default.
• W1990899558 hasConcept C55493867 @default.
• W1990899558 hasConcept C58226133 @default.
• W1990899558 hasConcept C59593255 @default.
• W1990899558 hasConceptScore W1990899558C112887158 @default.
• W1990899558 hasConceptScore W1990899558C113196181 @default.
• W1990899558 hasConceptScore W1990899558C139287275 @default.
• W1990899558 hasConceptScore W1990899558C145148216 @default.
• W1990899558 hasConceptScore W1990899558C147597530 @default.
• W1990899558 hasConceptScore W1990899558C147789679 @default.
• W1990899558 hasConceptScore W1990899558C159467904 @default.
• W1990899558 hasConceptScore W1990899558C171560689 @default.
• W1990899558 hasConceptScore W1990899558C173523689 @default.
• W1990899558 hasConceptScore W1990899558C178790620 @default.
• W1990899558 hasConceptScore W1990899558C179104552 @default.
• W1990899558 hasConceptScore W1990899558C184651966 @default.
• W1990899558 hasConceptScore W1990899558C185592680 @default.
• W1990899558 hasConceptScore W1990899558C2779607525 @default.

• next