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• W3217291221 endingPage "113347" @default.
• W3217291221 startingPage "113347" @default.
• W3217291221 abstract "The aqueous electrolytes solutions have an essential role in a variety of systems including natural, biological, and industrial processes. The vital role in human bio-activity and the enhanced oil recovery are two familiar examples with the features that mainly root from the special organization of ions in the solution surface. Despite research works that have been reported on the electrolyte's solution surface, the dependence of surface properties on the thermodynamic state and the chemical nature of constituting phases is still an open field of ongoing research. In this study, the surface properties of halides (NaCl, KBr, and KI) aqueous solutions at the interface with vapor-saturated and at n-octane phase are investigated by surface tension measurement and molecular dynamics simulation. Surface entropy, surface enthalpy, and surface excess concentration (Γ) are explored in a wider range of temperature (up to 343.15 K) than those already have been reported. The surface tension measured under vapor-saturation conditions decreases with temperature and increases with concentration linearly, though shows some characteristics fluctuations. For both (NaCl and KI) systems, variation of Γ versus temperature peculiarly shows a maximum centered in the range of 308.15–313.15 K at all concentrations. These peculiar singularities involve a wealth of information related to the alteration of the surface structure that roots from the nature of Cl− and I− anions at vapor-saturation. To decipher this peculiarity for microscopic details and to account for the factors underlying this singularity, molecular dynamics simulation of NaCl, KBr, and KI aqueous solution was performed over the range 298.15–343.15 K. The simulated bulk and surface molecular structure, as well as the bulk transport properties of 1.0 M (mol/lit) NaCl, KBr, and KI aqueous solution, confirm a singular behavior in the range of 308.15–313.15 K which accounts for the behavior and trend of thermodynamic and surface excess concentration we measured experimentally as a function of temperature. Considering halides salts are taking the main part in the human body intervascular fluid, this discovery also presents a baseline that allows unraveling the effect of temperature fluctuations on the distribution of the excess concentration at the fluid/cell tissue interface." @default.
• W3217291221 created "2021-12-06" @default.
• W3217291221 creator A5042953896 @default.
• W3217291221 creator A5056464922 @default.
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• W3217291221 date "2022-04-01" @default.
• W3217291221 modified "2023-09-25" @default.
• W3217291221 title "A singular behavior at the electrolytes solution surfaces: Experimental and simulation investigation over an extended range of temperature" @default.
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• W3217291221 doi "https://doi.org/10.1016/j.fluid.2021.113347" @default.
• W3217291221 hasPublicationYear "2022" @default.
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