Salt Solubilities in Aqueous Solutions of NaNO<sub>3</sub>, NaNO<sub>2</sub>, NaCl, and NaOH: A Hofmeister-like Series for Understanding Alkaline Nuclear Waste

Reynolds, Jacob G.

doi:10.1021/acsomega.8b02052

Cited by 11 publications

(8 citation statements)

References 62 publications

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“…− has a relatively weak interaction with water, which is also consistent with the location of NO 2 − on the Hofmeister series. 42,[68][69][70]77,78 This is also consistent with the low viscosity of the solutions and the H d value below one in the Zavitsas model. Despite the weak interaction with water, NaNO 2 has an extremely high water solubility, demonstrating that strong interactions with water are not a prerequisite for high water solubility.…”

Section: ■ Discussionsupporting

confidence: 76%

A Review of Sodium Nitrite Solubility in Water and Physical Properties of the Saturated Solutions

2021

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The solubility of sodium nitrite (NaNO2) in water is important to many industries, including those of heat pumps, oil extraction, and the management of alkaline nuclear waste. This study reviews solubility data for NaNO2 in water between the freezing point (−19 °C) and boiling point (128 °C) of a saturated solution. The temperature of the transition between the hemihydrate and anhydrous NaNO2 solid phases occurs at ca. −5 °C. There is excellent agreement between most studies above 0 °C, with the average solubility at 25 °C reported being 12.4 mol·kg–1 water. The electrical conductivity, viscosity, and density of saturated solutions were also reviewed, with mean values from several studies reported at 25 °C. The intrinsic volume of dissolved NaNO2 determined in this study (36.5 cm3·mol–1) is only 6% different from the value determined by extrapolating the density of molten salt to ambient temperatures. The flow in concentrated NaNO2 solutions behaves more like a molten salt than a soft colloidal behavior that more hydrated electrolytes resemble. Indeed, given that there is only ∼0.87 mol of water per mole of dissolved ion at 128 °C, the extremely high solubility of NaNO2 in water resembles a hydrated molten salt. A thermodynamic-based solubility model was developed.

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Section: ■ Discussionsupporting

confidence: 76%

A Review of Sodium Nitrite Solubility in Water and Physical Properties of the Saturated Solutions

2021

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“…It can be observed that the computed activities of water in this work are not strongly dependent on temperature. This is also observed in other works for activities of water (in the liquid phase) in aqueous NaCl solutions . At lower salt molalities (below 3 mol salt/kg water), both NaB(OH) 4 – and NaCl lead to similar changes to the water activities.…”

Section: Resultssupporting

confidence: 85%

Thermodynamic and Transport Properties of H₂/H₂O/NaB(OH)₄ Mixtures Using the Delft Force Field (DFF/B(OH)₄^–)

Habibi

Postma

Padding

et al. 2023

Ind. Eng. Chem. Res.

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Sodium borohydride (NaBH4) has a high hydrogen (H2 ) gravimetric capacity of 10.7 wt %. NaBH4 releases H2 through a hydrolysis reaction in which aqueous NaB(OH)4 is formed as a byproduct. NaB(OH)4 strongly influences the thermophysical properties of aqueous solutions (i.e., densities, viscosities, and electrical conductivities) and the hydrolysis reaction kinetics and conversion of NaBH4. Here, molecular dynamics (MD) simulations are performed to compute viscosities, electrical conductivities, and self-diffusivities of H2 , Na+, and B(OH)4 – for a temperature and concentration range of 298–353 K and 0–5 mol NaB(OH)4/kg water, respectively. Continuous fractional component Monte Carlo (CFCMC) simulations are used to compute the solubilities of H2 and activities of water in aqueous NaB(OH)4 solutions for the same temperature and concentration range. A new force field is developed (Delft force field of B(OH)4 –: DFF/B(OH)4 –) in which B(OH)4 – is modeled as a tetrahedral structure with a scaled charge of −0.85. The OH group in B(OH)4 – is modeled as a single interaction site. This force field is based on TIP4P/2005 water and the Madrid-2019 Na+ force field. The MD simulations can accurately capture the densities and viscosities within 2.5% deviation from available experimental data at 298 K up to a concentration of 5 mol NaB(OH)4/kg water. The computed electrical conductivities deviate by ca. 10% from experimental data at 298 K for the same concentration range. Based on the molecular simulations results, engineering equations are developed for shear viscosities, self-diffusivities of H2, Na+, and B(OH)4 –, and solubilities of H2, which can be used to design and model NaBH4 hydrolysis reactors.

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“…The data are compiled and statistically assessed. This study compliments existing reviews of the dissociation constants of oxalic acid as well as reviews of the solubility of other salts relevant to Hanford waste. − This study also compliments a recent study on the solubility trends of salts in multicomponent solutions simulating nuclear waste …”

Section: Introductionsupporting

confidence: 70%

A Review of Sodium Oxalate Solubility in Water

Reynolds,

Britton,

Carter

2023

Ind. Eng. Chem. Res.

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The solubility of disodium oxalate is important to many industries. This study compiled and statistically assessed the disodium oxalate solubility data available between 273 and 373 K. Sixty-six measurements were found from 19 studies. Two additional studies published their data graphically. The solubility was found to be an approximately linear function of the temperature, increasing about 0.0027 mol/kg per K. The coefficient of determination (R 2) of a linear fit to the data was 0.98. The mean measured solubility at 298.15 K was 0.274 mol/kg, with a standard error of 0.0026, with good agreement across data sets. The data were compared to calculated solubilities using a previously published thermodynamic model and shown to have reasonable agreement. The solubility of disodium oxalate was less than other alkali oxalates. Oxalate has a −2 charge, or −0.5 charge per oxygen, and an average bond valence of −0.17 per coordinating cation. Disodium oxalate is less soluble than other alkali oxalates because Na+ has a more closely matching opposite bond valence (0.16) than do other alkali cations. This is consistent with Brown’s theory that the most stable solids are those where cation and anions have matching opposite bond valence without having to adjust to uncommon bond lengths or coordination numbers.

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Salt Solubilities in Aqueous Solutions of NaNO₃, NaNO₂, NaCl, and NaOH: A Hofmeister-like Series for Understanding Alkaline Nuclear Waste

Cited by 11 publications

References 62 publications

A Review of Sodium Nitrite Solubility in Water and Physical Properties of the Saturated Solutions

A Review of Sodium Nitrite Solubility in Water and Physical Properties of the Saturated Solutions

Thermodynamic and Transport Properties of H₂/H₂O/NaB(OH)₄ Mixtures Using the Delft Force Field (DFF/B(OH)₄^–)

A Review of Sodium Oxalate Solubility in Water

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Salt Solubilities in Aqueous Solutions of NaNO3, NaNO2, NaCl, and NaOH: A Hofmeister-like Series for Understanding Alkaline Nuclear Waste

Cited by 11 publications

References 62 publications

A Review of Sodium Nitrite Solubility in Water and Physical Properties of the Saturated Solutions

A Review of Sodium Nitrite Solubility in Water and Physical Properties of the Saturated Solutions

Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)

A Review of Sodium Oxalate Solubility in Water

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Salt Solubilities in Aqueous Solutions of NaNO₃, NaNO₂, NaCl, and NaOH: A Hofmeister-like Series for Understanding Alkaline Nuclear Waste

Thermodynamic and Transport Properties of H₂/H₂O/NaB(OH)₄ Mixtures Using the Delft Force Field (DFF/B(OH)₄^–)