Matches in SemOpenAlex for { <https://semopenalex.org/work/W2326186405> ?p ?o ?g. }
- W2326186405 endingPage "25942" @default.
- W2326186405 startingPage "25934" @default.
- W2326186405 abstract "The diffusion of adsorbed molecules at a solid/fluid interface is a phenomenon of great fundamental interest and technological importance. We use molecular dynamics and kinetic Monte Carlo simulations to investigate the diffusion processes at an aqueous calcite (101̅4) interface under various geologically relevant supercritical conditions [101.3 MPa (1000 atm), 300–800 K]. Between 600 and 700 K, the adsorption configuration changes from an outer- to inner-sphere surface complex, and the desorption free energy barrier, ΔGd, increases greatly. The ratio ΔGd/kBT takes a minimum value at 600 K, making it the temperature with the greatest desorption tendency. Consequently, the temperature dependence of the mean lateral diffusivity of a finite bulk system reverses at 600 K. More interestingly, the system exhibits typical characteristics of bulk fluid-mediated surface diffusion. For example, the mean-squared displacement shows different scaling properties with changes in temperature or bulk thickness. The optimized bulk thickness which maximizes the effective surface diffusivity was also found to vary with temperature." @default.
- W2326186405 created "2016-06-24" @default.
- W2326186405 creator A5064658078 @default.
- W2326186405 creator A5074518884 @default.
- W2326186405 creator A5076312781 @default.
- W2326186405 creator A5091903467 @default.
- W2326186405 date "2012-11-29" @default.
- W2326186405 modified "2023-10-16" @default.
- W2326186405 title "Insights into Microscopic Diffusion Processes at a Solid/Fluid Interface under Supercritical Conditions: A Study of the Aqueous Calcite (101̅4) Surface" @default.
- W2326186405 cites W1976660933 @default.
- W2326186405 cites W1979863594 @default.
- W2326186405 cites W1981887551 @default.
- W2326186405 cites W1985437660 @default.
- W2326186405 cites W1991794210 @default.
- W2326186405 cites W1993177346 @default.
- W2326186405 cites W1998981716 @default.
- W2326186405 cites W2002003163 @default.
- W2326186405 cites W2004127303 @default.
- W2326186405 cites W2008822336 @default.
- W2326186405 cites W2012700578 @default.
- W2326186405 cites W2013722136 @default.
- W2326186405 cites W2016107710 @default.
- W2326186405 cites W2019037288 @default.
- W2326186405 cites W2019465613 @default.
- W2326186405 cites W2028917031 @default.
- W2326186405 cites W2032688871 @default.
- W2326186405 cites W2034948128 @default.
- W2326186405 cites W2035947982 @default.
- W2326186405 cites W2037761512 @default.
- W2326186405 cites W2039752681 @default.
- W2326186405 cites W2041894087 @default.
- W2326186405 cites W2042321087 @default.
- W2326186405 cites W2043422145 @default.
- W2326186405 cites W2052852804 @default.
- W2326186405 cites W2061405291 @default.
- W2326186405 cites W2077464066 @default.
- W2326186405 cites W2078106082 @default.
- W2326186405 cites W2090162612 @default.
- W2326186405 cites W2092023461 @default.
- W2326186405 cites W2095921114 @default.
- W2326186405 cites W2097729660 @default.
- W2326186405 cites W2323178299 @default.
- W2326186405 cites W3101408217 @default.
- W2326186405 cites W4205829923 @default.
- W2326186405 cites W4242872619 @default.
- W2326186405 doi "https://doi.org/10.1021/jp310391d" @default.
- W2326186405 hasPublicationYear "2012" @default.
- W2326186405 type Work @default.
- W2326186405 sameAs 2326186405 @default.
- W2326186405 citedByCount "6" @default.
- W2326186405 countsByYear W23261864052014 @default.
- W2326186405 countsByYear W23261864052016 @default.
- W2326186405 countsByYear W23261864052017 @default.
- W2326186405 countsByYear W23261864052019 @default.
- W2326186405 countsByYear W23261864052021 @default.
- W2326186405 crossrefType "journal-article" @default.
- W2326186405 hasAuthorship W2326186405A5064658078 @default.
- W2326186405 hasAuthorship W2326186405A5074518884 @default.
- W2326186405 hasAuthorship W2326186405A5076312781 @default.
- W2326186405 hasAuthorship W2326186405A5091903467 @default.
- W2326186405 hasConcept C105795698 @default.
- W2326186405 hasConcept C118419359 @default.
- W2326186405 hasConcept C121332964 @default.
- W2326186405 hasConcept C147597530 @default.
- W2326186405 hasConcept C147789679 @default.
- W2326186405 hasConcept C150394285 @default.
- W2326186405 hasConcept C15696416 @default.
- W2326186405 hasConcept C159467904 @default.
- W2326186405 hasConcept C162711632 @default.
- W2326186405 hasConcept C184651966 @default.
- W2326186405 hasConcept C185592680 @default.
- W2326186405 hasConcept C187128312 @default.
- W2326186405 hasConcept C192562407 @default.
- W2326186405 hasConcept C19499675 @default.
- W2326186405 hasConcept C199289684 @default.
- W2326186405 hasConcept C2780191791 @default.
- W2326186405 hasConcept C33923547 @default.
- W2326186405 hasConcept C37668627 @default.
- W2326186405 hasConcept C45786274 @default.
- W2326186405 hasConcept C59593255 @default.
- W2326186405 hasConcept C69357855 @default.
- W2326186405 hasConcept C88380143 @default.
- W2326186405 hasConcept C97355855 @default.
- W2326186405 hasConceptScore W2326186405C105795698 @default.
- W2326186405 hasConceptScore W2326186405C118419359 @default.
- W2326186405 hasConceptScore W2326186405C121332964 @default.
- W2326186405 hasConceptScore W2326186405C147597530 @default.
- W2326186405 hasConceptScore W2326186405C147789679 @default.
- W2326186405 hasConceptScore W2326186405C150394285 @default.
- W2326186405 hasConceptScore W2326186405C15696416 @default.
- W2326186405 hasConceptScore W2326186405C159467904 @default.
- W2326186405 hasConceptScore W2326186405C162711632 @default.
- W2326186405 hasConceptScore W2326186405C184651966 @default.
- W2326186405 hasConceptScore W2326186405C185592680 @default.
- W2326186405 hasConceptScore W2326186405C187128312 @default.
- W2326186405 hasConceptScore W2326186405C192562407 @default.
- W2326186405 hasConceptScore W2326186405C19499675 @default.
- W2326186405 hasConceptScore W2326186405C199289684 @default.