FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2020140772> ?p ?o ?g. }

• W2020140772 endingPage "6523" @default.
• W2020140772 startingPage "6512" @default.
• W2020140772 abstract "We investigate temperature-dependence of free energetics with two single halide anions, I(-) and Cl(-), crossing the aqueous liquid-vapor interface through molecular dynamics simulations. The result shows that I(-) has a modest surface stability of 0.5 kcal/mol at 300 K and the stability decreases as the temperature increases, indicating the surface adsorption process for the anion is entropically disfavored. In contrast, Cl(-) shows no such surface state at all temperatures. Decomposition of free energetics reveals that water-water interactions provide a favorable enthalpic contribution, while the desolvation of ion induces an increase in free energy. Calculations of surface fluctuations demonstrate that I(-) generates significantly greater interfacial fluctuations compared to Cl(-). The fluctuation is attributed to the malleability of the solvation shells, which allows for more long-ranged perturbations and solvent density redistribution induced by I(-) as the anion approaches the liquid-vapor interface. The increase in temperature of the solvent enhances the inherent thermally excited fluctuations and consequently reduces the relative contribution from anion to surface fluctuations, which is consistent with the decrease in surface stability of I(-). Our results indicate a strong correlation with induced interfacial fluctuations and anion surface stability; moreover, resulting temperature dependent behavior of induced fluctuations suggests the possibility of a critical level of induced fluctuations associated with surface stability." @default.
• W2020140772 created "2016-06-24" @default.
• W2020140772 creator A5013535478 @default.
• W2020140772 creator A5065269204 @default.
• W2020140772 date "2013-05-17" @default.
• W2020140772 modified "2023-10-05" @default.
• W2020140772 title "Temperature Dependence and Energetics of Single Ions at the Aqueous Liquid–Vapor Interface" @default.
• W2020140772 cites W1966165119 @default.
• W2020140772 cites W1969619035 @default.
• W2020140772 cites W1969923259 @default.
• W2020140772 cites W1972175237 @default.
• W2020140772 cites W1972746258 @default.
• W2020140772 cites W1974049961 @default.
• W2020140772 cites W1978204881 @default.
• W2020140772 cites W1978463979 @default.
• W2020140772 cites W1980766020 @default.
• W2020140772 cites W1981651552 @default.
• W2020140772 cites W1985709562 @default.
• W2020140772 cites W1990899558 @default.
• W2020140772 cites W1992992015 @default.
• W2020140772 cites W1996009737 @default.
• W2020140772 cites W1999636925 @default.
• W2020140772 cites W1999715273 @default.
• W2020140772 cites W2000191307 @default.
• W2020140772 cites W2005052719 @default.
• W2020140772 cites W2011268440 @default.
• W2020140772 cites W2012434595 @default.
• W2020140772 cites W2013107255 @default.
• W2020140772 cites W2019882487 @default.
• W2020140772 cites W2023409190 @default.
• W2020140772 cites W2026226048 @default.
• W2020140772 cites W2028459232 @default.
• W2020140772 cites W2031396229 @default.
• W2020140772 cites W2036067408 @default.
• W2020140772 cites W2041638382 @default.
• W2020140772 cites W2043809728 @default.
• W2020140772 cites W2044828571 @default.
• W2020140772 cites W2046890299 @default.
• W2020140772 cites W2049457749 @default.
• W2020140772 cites W2050066823 @default.
• W2020140772 cites W2054492145 @default.
• W2020140772 cites W2054613133 @default.
• W2020140772 cites W2060814251 @default.
• W2020140772 cites W2062354972 @default.
• W2020140772 cites W2063119861 @default.
• W2020140772 cites W2065348807 @default.
• W2020140772 cites W2072430635 @default.
• W2020140772 cites W2072675517 @default.
• W2020140772 cites W2073801789 @default.
• W2020140772 cites W2075320109 @default.
• W2020140772 cites W2076386997 @default.
• W2020140772 cites W2077251768 @default.
• W2020140772 cites W2083407560 @default.
• W2020140772 cites W2095173862 @default.
• W2020140772 cites W2106140689 @default.
• W2020140772 cites W2108285714 @default.
• W2020140772 cites W2112154906 @default.
• W2020140772 cites W2124252641 @default.
• W2020140772 cites W2126276771 @default.
• W2020140772 cites W2126854906 @default.
• W2020140772 cites W2127187065 @default.
• W2020140772 cites W2132262459 @default.
• W2020140772 cites W2132697742 @default.
• W2020140772 cites W2135240384 @default.
• W2020140772 cites W2145640410 @default.
• W2020140772 cites W2154895275 @default.
• W2020140772 cites W2157504720 @default.
• W2020140772 cites W2166169036 @default.
• W2020140772 cites W2168689352 @default.
• W2020140772 cites W2170006871 @default.
• W2020140772 cites W2963126822 @default.
• W2020140772 cites W2990954466 @default.
• W2020140772 cites W3017082821 @default.
• W2020140772 cites W3100428571 @default.
• W2020140772 cites W3104017686 @default.
• W2020140772 cites W3105164824 @default.
• W2020140772 cites W611689328 @default.
• W2020140772 doi "https://doi.org/10.1021/jp401243m" @default.
• W2020140772 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4210776" @default.
• W2020140772 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23537166" @default.
• W2020140772 hasPublicationYear "2013" @default.
• W2020140772 type Work @default.
• W2020140772 sameAs 2020140772 @default.
• W2020140772 citedByCount "22" @default.
• W2020140772 countsByYear W20201407722013 @default.
• W2020140772 countsByYear W20201407722014 @default.
• W2020140772 countsByYear W20201407722015 @default.
• W2020140772 countsByYear W20201407722016 @default.
• W2020140772 countsByYear W20201407722017 @default.
• W2020140772 countsByYear W20201407722018 @default.
• W2020140772 countsByYear W20201407722019 @default.
• W2020140772 countsByYear W20201407722020 @default.
• W2020140772 crossrefType "journal-article" @default.
• W2020140772 hasAuthorship W2020140772A5013535478 @default.
• W2020140772 hasAuthorship W2020140772A5065269204 @default.
• W2020140772 hasBestOaLocation W20201407722 @default.
• W2020140772 hasConcept C121332964 @default.
• W2020140772 hasConcept C145148216 @default.

• next