Matches in SemOpenAlex for { <https://semopenalex.org/work/W2946975977> ?p ?o ?g. }
- W2946975977 endingPage "15598" @default.
- W2946975977 startingPage "15589" @default.
- W2946975977 abstract "We report here the properties of LiCl aqueous solutions at various concentrations confined inside the pores of the ZIF-8 metal–organic framework, on the basis of classical molecular dynamics simulations. This system has been proposed for applications in the storage or dissipation of mechanical energy, using the liquid-phase intrusion of concentrated electrolytes in the hydrophobic framework. We describe the structure of the liquids and the influence of confinement, their dynamics, the mechanical properties of ZIF-8, and the impact of liquid intrusion on them. We show that the presence of the electrolyte has a moderate impact on the ZIF-8 framework whereas the presence of the ZIF-8 matrix strongly influences the behavior of the confined aqueous solution, affecting the overall properties of the system. We also computed the free energy profile for the entry of water molecules and ions into the nanopores, showing a difference between anions and cations." @default.
- W2946975977 created "2019-06-07" @default.
- W2946975977 creator A5013459266 @default.
- W2946975977 creator A5015199441 @default.
- W2946975977 creator A5019595095 @default.
- W2946975977 creator A5050511520 @default.
- W2946975977 date "2019-05-31" @default.
- W2946975977 modified "2023-10-18" @default.
- W2946975977 title "Structure, Dynamics, and Thermodynamics of Intruded Electrolytes in ZIF-8" @default.
- W2946975977 cites W1520974589 @default.
- W2946975977 cites W1972334364 @default.
- W2946975977 cites W1980052795 @default.
- W2946975977 cites W1982812213 @default.
- W2946975977 cites W1996367471 @default.
- W2946975977 cites W2003949305 @default.
- W2946975977 cites W2019465613 @default.
- W2946975977 cites W2021767761 @default.
- W2946975977 cites W2026489578 @default.
- W2946975977 cites W2027169137 @default.
- W2946975977 cites W2027415287 @default.
- W2946975977 cites W2034295966 @default.
- W2946975977 cites W2042348678 @default.
- W2946975977 cites W2042760101 @default.
- W2946975977 cites W2047782094 @default.
- W2946975977 cites W2049475242 @default.
- W2946975977 cites W2056294493 @default.
- W2946975977 cites W2058971275 @default.
- W2946975977 cites W2064202940 @default.
- W2946975977 cites W2064211684 @default.
- W2946975977 cites W2065329899 @default.
- W2946975977 cites W2069777400 @default.
- W2946975977 cites W2070749545 @default.
- W2946975977 cites W2073178380 @default.
- W2946975977 cites W2074738595 @default.
- W2946975977 cites W2105631122 @default.
- W2946975977 cites W2106064482 @default.
- W2946975977 cites W2107230438 @default.
- W2946975977 cites W2128688587 @default.
- W2946975977 cites W2129362045 @default.
- W2946975977 cites W2162170130 @default.
- W2946975977 cites W2169254772 @default.
- W2946975977 cites W2314491211 @default.
- W2946975977 cites W2314712166 @default.
- W2946975977 cites W2315133209 @default.
- W2946975977 cites W2316124489 @default.
- W2946975977 cites W2316555976 @default.
- W2946975977 cites W2319102105 @default.
- W2946975977 cites W2322865544 @default.
- W2946975977 cites W2332603240 @default.
- W2946975977 cites W2335212583 @default.
- W2946975977 cites W2463436373 @default.
- W2946975977 cites W2518175611 @default.
- W2946975977 cites W2726542239 @default.
- W2946975977 cites W2765164742 @default.
- W2946975977 cites W2785598435 @default.
- W2946975977 cites W2804243090 @default.
- W2946975977 cites W2899441537 @default.
- W2946975977 cites W2962956293 @default.
- W2946975977 cites W3098373786 @default.
- W2946975977 cites W3104716259 @default.
- W2946975977 cites W52523101 @default.
- W2946975977 doi "https://doi.org/10.1021/acs.jpcc.9b02718" @default.
- W2946975977 hasPublicationYear "2019" @default.
- W2946975977 type Work @default.
- W2946975977 sameAs 2946975977 @default.
- W2946975977 citedByCount "20" @default.
- W2946975977 countsByYear W29469759772020 @default.
- W2946975977 countsByYear W29469759772021 @default.
- W2946975977 countsByYear W29469759772022 @default.
- W2946975977 countsByYear W29469759772023 @default.
- W2946975977 crossrefType "journal-article" @default.
- W2946975977 hasAuthorship W2946975977A5013459266 @default.
- W2946975977 hasAuthorship W2946975977A5015199441 @default.
- W2946975977 hasAuthorship W2946975977A5019595095 @default.
- W2946975977 hasAuthorship W2946975977A5050511520 @default.
- W2946975977 hasBestOaLocation W29469759772 @default.
- W2946975977 hasConcept C121332964 @default.
- W2946975977 hasConcept C127413603 @default.
- W2946975977 hasConcept C141795571 @default.
- W2946975977 hasConcept C145148216 @default.
- W2946975977 hasConcept C147597530 @default.
- W2946975977 hasConcept C147789679 @default.
- W2946975977 hasConcept C159467904 @default.
- W2946975977 hasConcept C171250308 @default.
- W2946975977 hasConcept C17525397 @default.
- W2946975977 hasConcept C178790620 @default.
- W2946975977 hasConcept C184651966 @default.
- W2946975977 hasConcept C185592680 @default.
- W2946975977 hasConcept C192562407 @default.
- W2946975977 hasConcept C32909587 @default.
- W2946975977 hasConcept C42360764 @default.
- W2946975977 hasConcept C44280652 @default.
- W2946975977 hasConcept C59593255 @default.
- W2946975977 hasConcept C68801617 @default.
- W2946975977 hasConcept C97355855 @default.
- W2946975977 hasConceptScore W2946975977C121332964 @default.
- W2946975977 hasConceptScore W2946975977C127413603 @default.
- W2946975977 hasConceptScore W2946975977C141795571 @default.