Matches in SemOpenAlex for { <https://semopenalex.org/work/W2765304865> ?p ?o ?g. }
- W2765304865 endingPage "10555" @default.
- W2765304865 startingPage "10543" @default.
- W2765304865 abstract "Constant temperature–constant pressure molecular dynamics simulations have been performed for aqueous alkaline earth metal chloride [M2+–Cl– (M = Mg, Ca, Sr, and Ba)] solutions over a wide range of concentrations (0.27–5.55 m) in supercritical (SC) and ambient conditions to investigate their structural and dynamical properties. A strong influence of the salt concentration is observed on the ion–ion pair correlation functions in both ambient and SC conditions. In SC conditions, significant clustering is observed in the 0.27 m solution, whereas the reverse situation is observed at room temperature and this is also supported by the residence times of the clusters. The concentration and ion size (cation size) seem to have opposite effects on the average number of hydrogen bonds. The simulation results show that the self-diffusion coefficients of water, cations, and the chloride ion increase with increasing temperature, whereas they decrease with increasing salt concentration. The cluster size distribution shows a strong density dependence in both ambient and SC conditions. In SC conditions, cluster sizes display a near-Gaussian distribution, whereas the distribution decays monotonically in ambient conditions." @default.
- W2765304865 created "2017-11-10" @default.
- W2765304865 creator A5000990513 @default.
- W2765304865 creator A5017900629 @default.
- W2765304865 date "2017-11-10" @default.
- W2765304865 modified "2023-10-01" @default.
- W2765304865 title "Structural and Dynamical Properties of Alkaline Earth Metal Halides in Supercritical Water: Effect of Ion Size and Concentration" @default.
- W2765304865 cites W1214902360 @default.
- W2765304865 cites W1496097743 @default.
- W2765304865 cites W1572013547 @default.
- W2765304865 cites W1624880300 @default.
- W2765304865 cites W1963835713 @default.
- W2765304865 cites W1966078827 @default.
- W2765304865 cites W1967560751 @default.
- W2765304865 cites W1973971544 @default.
- W2765304865 cites W1974202767 @default.
- W2765304865 cites W1983657833 @default.
- W2765304865 cites W1984103563 @default.
- W2765304865 cites W1984239226 @default.
- W2765304865 cites W1984498082 @default.
- W2765304865 cites W1988020726 @default.
- W2765304865 cites W1988409345 @default.
- W2765304865 cites W1989038386 @default.
- W2765304865 cites W1996144923 @default.
- W2765304865 cites W1998131403 @default.
- W2765304865 cites W1998799881 @default.
- W2765304865 cites W1998804511 @default.
- W2765304865 cites W2001041504 @default.
- W2765304865 cites W2003949305 @default.
- W2765304865 cites W2004020459 @default.
- W2765304865 cites W2005919202 @default.
- W2765304865 cites W2006782615 @default.
- W2765304865 cites W2007133784 @default.
- W2765304865 cites W2007271445 @default.
- W2765304865 cites W2010647290 @default.
- W2765304865 cites W2011805877 @default.
- W2765304865 cites W2012865031 @default.
- W2765304865 cites W2015250056 @default.
- W2765304865 cites W2016298380 @default.
- W2765304865 cites W2016974615 @default.
- W2765304865 cites W2019381799 @default.
- W2765304865 cites W2022935405 @default.
- W2765304865 cites W2023068468 @default.
- W2765304865 cites W2023166469 @default.
- W2765304865 cites W2023525780 @default.
- W2765304865 cites W2023923099 @default.
- W2765304865 cites W2027497055 @default.
- W2765304865 cites W2033302151 @default.
- W2765304865 cites W2034333249 @default.
- W2765304865 cites W2035266068 @default.
- W2765304865 cites W2036434743 @default.
- W2765304865 cites W2039164586 @default.
- W2765304865 cites W2040088604 @default.
- W2765304865 cites W2044579375 @default.
- W2765304865 cites W2044761025 @default.
- W2765304865 cites W2047716666 @default.
- W2765304865 cites W2048905502 @default.
- W2765304865 cites W2049475242 @default.
- W2765304865 cites W2049955043 @default.
- W2765304865 cites W2052681952 @default.
- W2765304865 cites W2053342173 @default.
- W2765304865 cites W2055258847 @default.
- W2765304865 cites W2057378314 @default.
- W2765304865 cites W2057477511 @default.
- W2765304865 cites W2060050894 @default.
- W2765304865 cites W2061057259 @default.
- W2765304865 cites W2065399417 @default.
- W2765304865 cites W2067174909 @default.
- W2765304865 cites W2069141847 @default.
- W2765304865 cites W2070497594 @default.
- W2765304865 cites W2070971093 @default.
- W2765304865 cites W2072064923 @default.
- W2765304865 cites W2072647726 @default.
- W2765304865 cites W2074692659 @default.
- W2765304865 cites W2075320109 @default.
- W2765304865 cites W2080465136 @default.
- W2765304865 cites W2081290848 @default.
- W2765304865 cites W2081693079 @default.
- W2765304865 cites W2082562808 @default.
- W2765304865 cites W2083393704 @default.
- W2765304865 cites W2083456533 @default.
- W2765304865 cites W2083643394 @default.
- W2765304865 cites W2084362991 @default.
- W2765304865 cites W2084474767 @default.
- W2765304865 cites W2085340723 @default.
- W2765304865 cites W2085499449 @default.
- W2765304865 cites W2087514108 @default.
- W2765304865 cites W2088459464 @default.
- W2765304865 cites W2089757406 @default.
- W2765304865 cites W2097194736 @default.
- W2765304865 cites W2103309590 @default.
- W2765304865 cites W2103734924 @default.
- W2765304865 cites W2106140689 @default.
- W2765304865 cites W2107572441 @default.
- W2765304865 cites W2124192406 @default.
- W2765304865 cites W2124271587 @default.
- W2765304865 cites W2128215809 @default.
- W2765304865 cites W2135862662 @default.