FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2007396095> ?p ?o ?g. }

• W2007396095 abstract "Extensive molecular simulations of the Lennard-Jones fluid are performed to examine the response of the excess chemical potential of cavitylike solutes to applied pressure. Solutes as large as ten times the solvent diameter are considered. The simulations are analyzed using the revised scaled-particle theory developed by Ashbaugh and Pratt to evaluate the thermodynamics of cavity solvation and curvature dependent interfacial properties well into the compressed liquid portion of the solvent phase diagram. The revised theory provides a quantitatively accurate description of the solvent-solute contact correlation function for all solutes and state points considered. The main structural effect of increasing pressure is to push the solvent molecules up against the solute surfaces, counteracting the dewetting that is observed at lower pressures along the solvent saturation curve. Decomposing the excess chemical potential of cavities into volume and surface-area contributions shows that pressure differentially affects the interfacial free energies of molecular versus macroscopic solutes. The interfacial free energy of surfaces of molecular dimension monotonically decreases with applied pressure, while that of surfaces larger than a small cluster of solvent molecules exhibit a maximum with increasing pressure, which may play a role in pressure-induced disaggregation of molecular assemblies. Moreover, since the pressure dependence of the interfacial free energy is thermodynamically linked to the excess adsorption of solvent on the solute surface, the former is potentially a measurable macroscopic indicator of microscopic wetting∕dewetting phenomena, implicated in hydrophobic interactions between macroscopic hydrophobic particles. Finally, some inferences about pressure-dependent solvation processes in water are made by using the revised theory to analyze previously published simulation data." @default.
• W2007396095 created "2016-06-24" @default.
• W2007396095 creator A5011002849 @default.
• W2007396095 creator A5067474505 @default.
• W2007396095 date "2011-01-06" @default.
• W2007396095 modified "2023-10-14" @default.
• W2007396095 title "Putting the squeeze on cavities in liquids: Quantifying pressure effects on solvation using simulations and scaled-particle theory" @default.
• W2007396095 cites W1513720422 @default.
• W2007396095 cites W1516380102 @default.
• W2007396095 cites W1551423989 @default.
• W2007396095 cites W1964128675 @default.
• W2007396095 cites W1966078827 @default.
• W2007396095 cites W1966230467 @default.
• W2007396095 cites W1968323273 @default.
• W2007396095 cites W1971032471 @default.
• W2007396095 cites W1974137193 @default.
• W2007396095 cites W1976499671 @default.
• W2007396095 cites W1983548896 @default.
• W2007396095 cites W1986655713 @default.
• W2007396095 cites W1988319364 @default.
• W2007396095 cites W1990854721 @default.
• W2007396095 cites W1991794210 @default.
• W2007396095 cites W1991835790 @default.
• W2007396095 cites W1997006833 @default.
• W2007396095 cites W2001759223 @default.
• W2007396095 cites W2004709833 @default.
• W2007396095 cites W2009755440 @default.
• W2007396095 cites W2010564396 @default.
• W2007396095 cites W2013233655 @default.
• W2007396095 cites W2014476426 @default.
• W2007396095 cites W2017649601 @default.
• W2007396095 cites W2018688186 @default.
• W2007396095 cites W2018725509 @default.
• W2007396095 cites W2019428816 @default.
• W2007396095 cites W2023395531 @default.
• W2007396095 cites W2026712304 @default.
• W2007396095 cites W2027886127 @default.
• W2007396095 cites W2031446765 @default.
• W2007396095 cites W2035687084 @default.
• W2007396095 cites W2037544173 @default.
• W2007396095 cites W2038760228 @default.
• W2007396095 cites W2038973420 @default.
• W2007396095 cites W2041638382 @default.
• W2007396095 cites W2043697182 @default.
• W2007396095 cites W2046460158 @default.
• W2007396095 cites W2047150613 @default.
• W2007396095 cites W2050259359 @default.
• W2007396095 cites W2050917562 @default.
• W2007396095 cites W2051580529 @default.
• W2007396095 cites W2053759141 @default.
• W2007396095 cites W2059013803 @default.
• W2007396095 cites W2064796549 @default.
• W2007396095 cites W2065756075 @default.
• W2007396095 cites W2066707897 @default.
• W2007396095 cites W2069889819 @default.
• W2007396095 cites W2080333909 @default.
• W2007396095 cites W2081172203 @default.
• W2007396095 cites W2081693079 @default.
• W2007396095 cites W2086190386 @default.
• W2007396095 cites W2089032833 @default.
• W2007396095 cites W2093806300 @default.
• W2007396095 cites W2115403342 @default.
• W2007396095 cites W2116425413 @default.
• W2007396095 cites W2131754023 @default.
• W2007396095 cites W2141250779 @default.
• W2007396095 cites W2152317924 @default.
• W2007396095 cites W2167844684 @default.
• W2007396095 cites W3102074653 @default.
• W2007396095 cites W4250362815 @default.
• W2007396095 doi "https://doi.org/10.1063/1.3510522" @default.
• W2007396095 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21219007" @default.
• W2007396095 hasPublicationYear "2011" @default.
• W2007396095 type Work @default.
• W2007396095 sameAs 2007396095 @default.
• W2007396095 citedByCount "15" @default.
• W2007396095 countsByYear W20073960952012 @default.
• W2007396095 countsByYear W20073960952013 @default.
• W2007396095 countsByYear W20073960952014 @default.
• W2007396095 countsByYear W20073960952015 @default.
• W2007396095 countsByYear W20073960952016 @default.
• W2007396095 countsByYear W20073960952017 @default.
• W2007396095 countsByYear W20073960952018 @default.
• W2007396095 countsByYear W20073960952021 @default.
• W2007396095 crossrefType "journal-article" @default.
• W2007396095 hasAuthorship W2007396095A5011002849 @default.
• W2007396095 hasAuthorship W2007396095A5067474505 @default.
• W2007396095 hasConcept C111368507 @default.
• W2007396095 hasConcept C121332964 @default.
• W2007396095 hasConcept C127313418 @default.
• W2007396095 hasConcept C134514944 @default.
• W2007396095 hasConcept C147597530 @default.
• W2007396095 hasConcept C147789679 @default.
• W2007396095 hasConcept C148093993 @default.
• W2007396095 hasConcept C159467904 @default.
• W2007396095 hasConcept C166361863 @default.
• W2007396095 hasConcept C178790620 @default.
• W2007396095 hasConcept C185592680 @default.
• W2007396095 hasConcept C195065555 @default.
• W2007396095 hasConcept C195839 @default.
• W2007396095 hasConcept C2524010 @default.

• next