FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022897474> ?p ?o ?g. }

• W2022897474 abstract "Non-local electrostatic interactions associated with the finite solvent size and ion polarizability are investigated within the mean-field linear response theory. To this end, we introduce a field theoretic model of a polar liquid composed of linear multipole solvent molecules and embedding polarizable ions modeled as Drude oscillators. Unlike previous dipolar Poisson-Boltzmann formulations treating the solvent molecules as point dipoles, our model is able to qualitatively reproduce the non-local dielectric response behavior of polar liquids observed in Molecular Dynamics simulations and Atomic Force Microscope experiments for water solvent at charged interfaces. The present theory explains the formation of the associated interfacial hydration layers in terms of a cooperative dipolar response mechanism driven by the reaction of the solvent molecules to their own polarization field. We also incorporate into the theory the relative multipole/dipole moments of water molecules obtained from quantum mechanical calculations, and show that the multipolar contributions to the dielectric permittivity are largely dominated by the dipolar one. We find that this stems from the mutual cancellation of the first two interfacial hydration layers of opposite net charge for multipolar liquids. Within the same non-local dielectric response theory, we show that the induced ion polarizability reverses the interfacial ion density trends predicted by the Poisson-Boltzmann theory, resulting in a surface affinity of coions and exclusion of counterions. The results indicate that the consideration of the discrete charge composition of solvent molecules and ions is the key step towards a microscopic understanding of non-local electrostatic effects in polar solvents." @default.
• W2022897474 created "2016-06-24" @default.
• W2022897474 creator A5054880095 @default.
• W2022897474 creator A5085243869 @default.
• W2022897474 date "2013-06-03" @default.
• W2022897474 modified "2023-09-23" @default.
• W2022897474 title "Microscopic formulation of nonlocal electrostatics in polar liquids embedding polarizable ions" @default.
• W2022897474 cites W1964172137 @default.
• W2022897474 cites W1970237863 @default.
• W2022897474 cites W1970843485 @default.
• W2022897474 cites W1973671262 @default.
• W2022897474 cites W1978253333 @default.
• W2022897474 cites W1979123443 @default.
• W2022897474 cites W1980584915 @default.
• W2022897474 cites W1984147471 @default.
• W2022897474 cites W1988034204 @default.
• W2022897474 cites W2012340994 @default.
• W2022897474 cites W2014322065 @default.
• W2022897474 cites W2015513296 @default.
• W2022897474 cites W2018382174 @default.
• W2022897474 cites W2021747225 @default.
• W2022897474 cites W2023230440 @default.
• W2022897474 cites W2032657439 @default.
• W2022897474 cites W2035074379 @default.
• W2022897474 cites W2035897650 @default.
• W2022897474 cites W2046024650 @default.
• W2022897474 cites W2056090705 @default.
• W2022897474 cites W2070874699 @default.
• W2022897474 cites W2075953307 @default.
• W2022897474 cites W2082691794 @default.
• W2022897474 cites W2095100718 @default.
• W2022897474 cites W2150673614 @default.
• W2022897474 cites W2157487644 @default.
• W2022897474 cites W2317304041 @default.
• W2022897474 cites W2325087798 @default.
• W2022897474 cites W3098778406 @default.
• W2022897474 cites W3099732302 @default.
• W2022897474 cites W3102773327 @default.
• W2022897474 doi "https://doi.org/10.1103/physreve.87.063201" @default.
• W2022897474 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23848796" @default.
• W2022897474 hasPublicationYear "2013" @default.
• W2022897474 type Work @default.
• W2022897474 sameAs 2022897474 @default.
• W2022897474 citedByCount "44" @default.
• W2022897474 countsByYear W20228974742013 @default.
• W2022897474 countsByYear W20228974742014 @default.
• W2022897474 countsByYear W20228974742015 @default.
• W2022897474 countsByYear W20228974742016 @default.
• W2022897474 countsByYear W20228974742017 @default.
• W2022897474 countsByYear W20228974742018 @default.
• W2022897474 countsByYear W20228974742019 @default.
• W2022897474 countsByYear W20228974742020 @default.
• W2022897474 countsByYear W20228974742021 @default.
• W2022897474 countsByYear W20228974742022 @default.
• W2022897474 countsByYear W20228974742023 @default.
• W2022897474 crossrefType "journal-article" @default.
• W2022897474 hasAuthorship W2022897474A5054880095 @default.
• W2022897474 hasAuthorship W2022897474A5085243869 @default.
• W2022897474 hasBestOaLocation W20228974742 @default.
• W2022897474 hasConcept C109757611 @default.
• W2022897474 hasConcept C117626034 @default.
• W2022897474 hasConcept C121332964 @default.
• W2022897474 hasConcept C133386390 @default.
• W2022897474 hasConcept C139287275 @default.
• W2022897474 hasConcept C145148216 @default.
• W2022897474 hasConcept C147597530 @default.
• W2022897474 hasConcept C147789679 @default.
• W2022897474 hasConcept C148093993 @default.
• W2022897474 hasConcept C159467904 @default.
• W2022897474 hasConcept C173523689 @default.
• W2022897474 hasConcept C178790620 @default.
• W2022897474 hasConcept C185592680 @default.
• W2022897474 hasConcept C192562407 @default.
• W2022897474 hasConcept C29705727 @default.
• W2022897474 hasConcept C32909587 @default.
• W2022897474 hasConcept C41999313 @default.
• W2022897474 hasConcept C52765159 @default.
• W2022897474 hasConcept C59593255 @default.
• W2022897474 hasConcept C62520636 @default.
• W2022897474 hasConceptScore W2022897474C109757611 @default.
• W2022897474 hasConceptScore W2022897474C117626034 @default.
• W2022897474 hasConceptScore W2022897474C121332964 @default.
• W2022897474 hasConceptScore W2022897474C133386390 @default.
• W2022897474 hasConceptScore W2022897474C139287275 @default.
• W2022897474 hasConceptScore W2022897474C145148216 @default.
• W2022897474 hasConceptScore W2022897474C147597530 @default.
• W2022897474 hasConceptScore W2022897474C147789679 @default.
• W2022897474 hasConceptScore W2022897474C148093993 @default.
• W2022897474 hasConceptScore W2022897474C159467904 @default.
• W2022897474 hasConceptScore W2022897474C173523689 @default.
• W2022897474 hasConceptScore W2022897474C178790620 @default.
• W2022897474 hasConceptScore W2022897474C185592680 @default.
• W2022897474 hasConceptScore W2022897474C192562407 @default.
• W2022897474 hasConceptScore W2022897474C29705727 @default.
• W2022897474 hasConceptScore W2022897474C32909587 @default.
• W2022897474 hasConceptScore W2022897474C41999313 @default.
• W2022897474 hasConceptScore W2022897474C52765159 @default.
• W2022897474 hasConceptScore W2022897474C59593255 @default.
• W2022897474 hasConceptScore W2022897474C62520636 @default.
• W2022897474 hasIssue "6" @default.

• next