Dependences of the osmotic coefficients of aqueous calcium chloride solutions on concentration at different temperatures

Rudakov, A. M.; Sergievskii, V. V.; Nagovitsyna, O. A.

doi:10.1134/s0036024417110188

Cited by 4 publications

(4 citation statements)

References 10 publications

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“…In aqueous electrolyte thermodynamics, various hydration-based theoretical models have been developed to predict the equilibrium behavior and chemical speciation of natural aqueous solutions (oceans, brines, ground waters and atmospheric aerosols) and industrial systems (ionic liquids, underground contaminants, fluids used for oil and gas processing). [3][4][5] These hydration models have mathematical expressions that depend parametrically on the hydration number, here defined as the average number of molecules bound to the compound more strongly than they are bound to other water molecules. [6] Similarly, in the determination of thermodynamic colligative properties (freezing point depression, boiling point elevation, vapor pressure lowering and osmotic pressure), the hydration number refers to the average number of water molecules that are bound sufficiently strongly to the ions so as to be removed from the solvent and become part of the solute.…”

Section: Introductionmentioning

confidence: 99%

“…Knowing the hydration number of aqueous electrolytes is important in several fields. In aqueous electrolyte thermodynamics, various hydration‐based theoretical models have been developed to predict the equilibrium behavior and chemical speciation of natural aqueous solutions (oceans, brines, ground waters and atmospheric aerosols) and industrial systems (ionic liquids, underground contaminants, fluids used for oil and gas processing) [3–5] . These hydration models have mathematical expressions that depend parametrically on the hydration number, here defined as the average number of molecules bound to the compound more strongly than they are bound to other water molecules [6] .…”

Section: Introductionmentioning

confidence: 99%

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Hydrogen‐Bond Structure and Low‐Frequency Dynamics of Electrolyte Solutions: Hydration Numbers from ab Initio Water Reorientation Dynamics and Dielectric Relaxation Spectroscopy

et al. 2020

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We present an atomistic simulation scheme for the determination of the hydration number (h) of aqueous electrolyte solutions based on the calculation of the water dipole reorientation dynamics. In this methodology, the time evolution of an aqueous electrolyte solution generated from ab initio molecular dynamics simulations is used to compute the reorientation time of different water subpopulations. The value of h is determined by considering whether the reorientation time of the water subpopulations is retarded with respect to bulk-like behavior. The application of this computational protocol to magnesium chloride (MgCl 2) solutions at different concentrations (0.6-2.8 mol kg À 1) gives h values in excellent agreement with experimental hydration numbers obtained using GHz-to-THz dielectric relaxation spectroscopy. This methodology is attractive because it is based on a well-defined criterion for the definition of hydration number and provides a link with the molecular-level processes responsible for affecting bulk solution behavior. Analysis of the ab initio molecular dynamics trajectories using radial distribution functions, hydrogen bonding statistics, vibrational density of states, water-water hydrogen bonding lifetimes, and water dipole reorientation reveals that MgCl 2 has a considerable influence on the hydrogen bond network compared with bulk water. These effects have been assigned to the specific strong Mg-water interaction rather than the Cl-water interaction.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Hydrogen‐Bond Structure and Low‐Frequency Dynamics of Electrolyte Solutions: Hydration Numbers from ab Initio Water Reorientation Dynamics and Dielectric Relaxation Spectroscopy

et al. 2020

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“…It was shown that the experimental data of osmotic pressure values in these solutions agrees well with the results obtained using model [49] and did not agree with the results calculated according to the Van't Hoff equation. The problem of defining osmotic coefficients and activity coefficients for individual electrolyte solutions, taking hydration and ion association into account, were solved in [55,56]. In some studies, the authors disregarded the presence of the second component in the solution and considered the parameters for a solution with one solute [19].…”

Section: Methods Of Dialysismentioning

confidence: 99%

Comparative Study of Different Ion-Exchange Membrane Types in Diffusion Dialysis for the Separation of Sulfuric Acid and Nickel Sulfate

Loza

Kovalchuk

et al. 2023

Membranes

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The possibility of using various types of ion-exchange membranes in diffusion dialysis for the separation of sulfuric acid and nickel sulfate has been evaluated. The process of the dialysis separation of a real waste solution from an electroplating facility containing 252.3 g/L of sulfuric acid, 20.9 g/L of nickel ions and small amounts of zinc, iron, copper ions, etc. has been studied. Heterogeneous cation-exchange membrane containing sulfonic groups and heterogeneous anion-exchange membranes with different thicknesses (from 145 μm to 550 μm) and types of fixed groups (four samples with quaternary ammonium base and one sample with secondary and tertiary amines) have been used. The diffusion fluxes of sulfuric acid, nickel sulfate, and the total and osmotic fluxes of the solvent have been determined. The use of a cation-exchange membrane does not allow the separation of the components, since the fluxes of both components are low and comparable in magnitude. The use of anion-exchange membranes makes it possible to efficiently separate sulfuric acid and nickel sulfate. Anion-exchange membranes with quaternary ammonium groups are more effective in the diffusion dialysis process, while the thin membrane turns out to be the most effective.

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“…It was shown that the experimental data of osmotic pressure values in these solutions agrees well with the results obtained using model [17] and did not agree with the results calculated according to the Van't Hoff equation. The problem of defining osmotic coefficients and activity coefficients for individual electrolyte solutions, taking hydration and ion association into account, were solved in [23], [24]. In some studies, the authors disregarded the presence of the second component in the solution and considered the parameters for a solution with one solute [11].…”

Section: Methods Of Dialisysmentioning

confidence: 99%

Comparative Study of Different Ion-exchange Membrane Types in Diffusion Dialysis for the Separation of Sulfuric Acid and Nickel Sulfate

Loza¹,

Loza²,

Kovalchuk³

et al. 2023

Preprint

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The application of diffusion dialysis using various types of ion-exchange membranes for the separation of sulfuric acid and nickel sulfate has been evaluated. The process of dialysis separation of a real waste solution from an electroplating facility containing 252.3 g/L of sulfuric acid, 20.9 g/L of nickel ions and small amounts of zinc, iron, copper ions, etc. has been studied. Heterogeneous cation-exchange membrane containing sulfo groups and heterogeneous anion-exchange membranes with different thicknesses (from 145 μm to 550 μm) and types of fixed groups (4 samples with quaternary amino groups and 1 sample with secondary and tertiary amino groups) are used. The diffusion fluxes of sulfuric acid, nickel sulfate, and the total and osmotic fluxes of the solvent are determined. The use of a cation-exchange membrane does not allow separation of the components, since the fluxes of both components are low and comparable in magnitude. The use of anion-exchange membranes makes it possible to efficiently separate sulfuric acid and nickel sulfate. At the same time, the thin dialysis membrane turns out to be the most effective, as well as the membranes with quaternary amino groups, and the membrane with secondary and tertiary amino groups proved to be the least effective.

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Dependences of the osmotic coefficients of aqueous calcium chloride solutions on concentration at different temperatures

Cited by 4 publications

References 10 publications

Hydrogen‐Bond Structure and Low‐Frequency Dynamics of Electrolyte Solutions: Hydration Numbers from ab Initio Water Reorientation Dynamics and Dielectric Relaxation Spectroscopy

Hydrogen‐Bond Structure and Low‐Frequency Dynamics of Electrolyte Solutions: Hydration Numbers from ab Initio Water Reorientation Dynamics and Dielectric Relaxation Spectroscopy

Comparative Study of Different Ion-Exchange Membrane Types in Diffusion Dialysis for the Separation of Sulfuric Acid and Nickel Sulfate

Comparative Study of Different Ion-exchange Membrane Types in Diffusion Dialysis for the Separation of Sulfuric Acid and Nickel Sulfate

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