Matches in SemOpenAlex for { <https://semopenalex.org/work/W2037184408> ?p ?o ?g. }
- W2037184408 abstract "The solvation shell dynamics of supercritical water is analyzed by molecular dynamics simulation with emphasis on its relationship to the translational and rotational dynamics. The relaxation times of the solvation number (τS), the velocity autocorrelation function (τD), the angular momentum correlation function (τJ), and the second-order reorientational correlation function (τ2R) are studied at a supercritical temperature of 400°C over a wide density region of 0.01–1.5gcm−3. The relaxation times are decomposed into those conditioned by the solvation number n, and the effect of the short-ranged structure is examined in terms of its probability Pn of occurrence. In the low to medium-density range of 0.01–0.4gcm−3, the time scales of water dynamics are in the following sequence: τD>τS≳τJ≳τ2R. This means that the rotation in supercritical water is of the “in-shell” type while the translational diffusion is not. The comparison to supercritical benzene is also performed and the effect of hydrogen bonding is examined. The water diffusion is not of the in-shell type up to the ambient density of 1.0gcm−3, which corresponds to the absence of the transition from the collision to the Brownian picture, whereas such transition is present in the case of benzene. The absence of the transition in water comes from the fast reorganization of the hydrogen bonds and the enhanced mobility of the solvation shell in supercritical conditions." @default.
- W2037184408 created "2016-06-24" @default.
- W2037184408 creator A5010387793 @default.
- W2037184408 creator A5026054733 @default.
- W2037184408 creator A5027323907 @default.
- W2037184408 date "2007-11-06" @default.
- W2037184408 modified "2023-09-23" @default.
- W2037184408 title "Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene" @default.
- W2037184408 cites W1649948057 @default.
- W2037184408 cites W1963922513 @default.
- W2037184408 cites W1964328225 @default.
- W2037184408 cites W1964569843 @default.
- W2037184408 cites W1966536349 @default.
- W2037184408 cites W1972764810 @default.
- W2037184408 cites W1975264298 @default.
- W2037184408 cites W1976499671 @default.
- W2037184408 cites W1981941889 @default.
- W2037184408 cites W1985295678 @default.
- W2037184408 cites W1985622016 @default.
- W2037184408 cites W1989038386 @default.
- W2037184408 cites W1990536516 @default.
- W2037184408 cites W1991187829 @default.
- W2037184408 cites W1993099682 @default.
- W2037184408 cites W1993181676 @default.
- W2037184408 cites W1996190035 @default.
- W2037184408 cites W1996305581 @default.
- W2037184408 cites W1998311066 @default.
- W2037184408 cites W1999035037 @default.
- W2037184408 cites W2002589735 @default.
- W2037184408 cites W2004211453 @default.
- W2037184408 cites W2005775408 @default.
- W2037184408 cites W2007199670 @default.
- W2037184408 cites W2010052856 @default.
- W2037184408 cites W2012699255 @default.
- W2037184408 cites W2013812442 @default.
- W2037184408 cites W2014025395 @default.
- W2037184408 cites W2014453913 @default.
- W2037184408 cites W2015203933 @default.
- W2037184408 cites W2016725449 @default.
- W2037184408 cites W2022921054 @default.
- W2037184408 cites W2022955688 @default.
- W2037184408 cites W2024707864 @default.
- W2037184408 cites W2024891605 @default.
- W2037184408 cites W2028238632 @default.
- W2037184408 cites W2029977485 @default.
- W2037184408 cites W2031523344 @default.
- W2037184408 cites W2034632671 @default.
- W2037184408 cites W2037673923 @default.
- W2037184408 cites W2045951612 @default.
- W2037184408 cites W2046937285 @default.
- W2037184408 cites W2047091785 @default.
- W2037184408 cites W2047241264 @default.
- W2037184408 cites W2049197145 @default.
- W2037184408 cites W2049475242 @default.
- W2037184408 cites W2052379366 @default.
- W2037184408 cites W2052488138 @default.
- W2037184408 cites W2054821697 @default.
- W2037184408 cites W2057060187 @default.
- W2037184408 cites W2058313185 @default.
- W2037184408 cites W2062396933 @default.
- W2037184408 cites W2065329899 @default.
- W2037184408 cites W2067980432 @default.
- W2037184408 cites W2073770784 @default.
- W2037184408 cites W2074102331 @default.
- W2037184408 cites W2074118805 @default.
- W2037184408 cites W2074873493 @default.
- W2037184408 cites W2077231705 @default.
- W2037184408 cites W2082018233 @default.
- W2037184408 cites W2103348982 @default.
- W2037184408 cites W210964981 @default.
- W2037184408 cites W2114514252 @default.
- W2037184408 cites W2161514844 @default.
- W2037184408 cites W3103164105 @default.
- W2037184408 cites W4255734954 @default.
- W2037184408 doi "https://doi.org/10.1063/1.2780871" @default.
- W2037184408 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17994829" @default.
- W2037184408 hasPublicationYear "2007" @default.
- W2037184408 type Work @default.
- W2037184408 sameAs 2037184408 @default.
- W2037184408 citedByCount "24" @default.
- W2037184408 countsByYear W20371844082012 @default.
- W2037184408 countsByYear W20371844082014 @default.
- W2037184408 countsByYear W20371844082015 @default.
- W2037184408 countsByYear W20371844082016 @default.
- W2037184408 countsByYear W20371844082018 @default.
- W2037184408 countsByYear W20371844082019 @default.
- W2037184408 countsByYear W20371844082021 @default.
- W2037184408 countsByYear W20371844082023 @default.
- W2037184408 crossrefType "journal-article" @default.
- W2037184408 hasAuthorship W2037184408A5010387793 @default.
- W2037184408 hasAuthorship W2037184408A5026054733 @default.
- W2037184408 hasAuthorship W2037184408A5027323907 @default.
- W2037184408 hasBestOaLocation W20371844082 @default.
- W2037184408 hasConcept C112887158 @default.
- W2037184408 hasConcept C118419359 @default.
- W2037184408 hasConcept C121332964 @default.
- W2037184408 hasConcept C147597530 @default.
- W2037184408 hasConcept C147789679 @default.
- W2037184408 hasConcept C148093993 @default.
- W2037184408 hasConcept C149823470 @default.