Activities in Aqueous Solutions of the Alkali Halide Salts from Molecular Simulation

2016 ◽  
Vol 61 (12) ◽  
pp. 4068-4076 ◽  
Author(s):  
Maximilian Kohns ◽  
Michael Schappals ◽  
Martin Horsch ◽  
Hans Hasse
Keyword(s):  
Aqueous Solutions ◽  
Molecular Simulation ◽  
Alkali Halide ◽  
Halide Salts

A different view of structure-making and structure-breaking in alkali halide aqueous solutions through x-ray absorption spectroscopy

2014 ◽  
Vol 140 (24) ◽  
pp. 244506 ◽  
Author(s):  
Iradwikanari Waluyo ◽  
Dennis Nordlund ◽  
Uwe Bergmann ◽  
Daniel Schlesinger ◽  
Lars G. M. Pettersson ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Absorption Spectroscopy ◽  
Alkali Halide ◽  
X Ray ◽  
X Ray Absorption ◽  
Structure Breaking

Solvation effects on the conductivity of concentrated electrolyte solutions

1976 ◽  
Vol 54 (18) ◽  
pp. 2953-2966 ◽  
Author(s):  
Douglas E. Goldsack ◽  
Raymond Franchetto ◽  
Arlene (Anttila) Franchetto
Keyword(s):  
Activity Coefficient ◽  
Alkali Halide ◽  
Infinite Dilution ◽  
Electrolyte Solutions ◽  
Molar Conductance ◽  
The Other ◽  
Solvation Number ◽  
Parameter Equation ◽  
Conductance Data ◽  
Halide Salts

The Falkenhagen–Leist–Kelbg equation for the conductivity of electrolyte solutions has been extended to include the effect of solvation on the concentration of the salt. Two equations have been derived, both of which have only two freely adjustable parameters at any temperature: Λ0 the molar conductance of the salt at infinite dilution and H0, a solvation number parameter for the salt. In one of these equations H0 is assumed to be independent of concentration. In the other, H0 is assumed to be dependent on concentration and an explicit concentration dependent formula is derived for H0. Conductance data for the alkali halide salts in the 0.5 to 10 m concentration range and 0 to 60 °C temperature range were found to be adequately reproduced by both these equations, but with the variable hydration parameter equation yielding better fits to the data. The H0 parameters from the fixed hydration parameter equation are found to be similar to those obtained from the analysis of activity coefficient and other data whereas the variable hydration parameter equation yields H0 parameters which are much larger.

scholarly journals Molecular simulation of aqueous solutions at clay surfaces

2010 ◽  
Vol 22 (28) ◽  
pp. 284114 ◽  
Author(s):  
B Rotenberg ◽  
V Marry ◽  
N Malikova ◽  
P Turq
Keyword(s):  
Aqueous Solutions ◽  
Molecular Simulation

Exfoliation synthesis of graphene and optimization with alkali halide salts

2020 ◽  
Vol 20 ◽  
pp. 100548 ◽  
Author(s):  
Md. Furquan Alam ◽  
Mohd. Shoeb Khan ◽  
Imran Uddin ◽  
Shahper Nazeer Khan ◽  
Irfan Ahmad
Keyword(s):  
Alkali Halide ◽  
Halide Salts
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