Critical evaluation of the 2nd dissociation constants for aqueous sulfuric acid

Sippola, Hannu

doi:10.1016/j.tca.2011.04.030

Cited by 29 publications

(25 citation statements)

References 36 publications

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“…Pitzer parameters for the Zn 2+ -HSO4binary were optimised using available solubility data of heptahydrate and hexahydrate [20] and boiling point data [26] of the ternary ZnSO4-H2SO4-H2O system. Pitzer parameters for the H2SO4-H2O -system were taken from Sippola [59], the chosen parametrisation corresponds to Okuwaki K2-equation [52] and parameter set A in Sippola's paper.…”

Section: The Ternary System Znso4-h2so4-h2omentioning

confidence: 99%

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Thermodynamics of the ZnSO4-H2SO4-H2O system

Vielma

Salminen

Lassi

2018

Calphad

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Internally consistent set of thermodynamic parameters was derived for the binary ZnSO4-H2O-system using the CALPHAD method. Available data on water activity, EMF measurements, solubility and heat of solution and dilution measurements was reviewed. Additional parameters for the ternary ZnSO4-H2SO4-H2O system were derived based on the available solubility and boiling point data. Solubility of zinc sulfate was predicted successfully under conditions relevant in hydrometallurgical processing of zinc, and even up to 15 mol/kg sulfuric acid solutions. Temperature dependent Pitzer parameters for the binary and ternary systems are reported.

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Section: The Ternary System Znso4-h2so4-h2omentioning

confidence: 99%

“…Pitzer parameters for the Zn 2+ -HSO4binary optimised in this work, and Pitzer parameters for the system H2SO4-H2O[59]. ,10 and 11 show isothermal sections of the ZnSO4-H2SO4-H2O phase diagram at 268.65, 308.15, 343.15 and 353.15 K, respectively.Figure 12shows the calculated boiling point curves in comparison to experimental data[26].…”

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confidence: 99%

Thermodynamics of the ZnSO4-H2SO4-H2O system

Vielma

Salminen

Lassi

2018

Calphad

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“…More recently, Sippola 85,86 examined six equations for the thermodynamic equilibrium constant, including those of Pitzer et al, 84 Matsushima and Okuwaki, 87 Dickson et al, 82 Hovey and Hepler, 88 Clegg et al, 77 and Knopf et al 89 The equations of Matsushima, Dickson, Hovey, and Clegg et al were found to give the most reliable values for K a2 overall, although the equation of Knopf et al was found to be more suitable for use at high temperatures. Sippola concludes that the choice of correlation ultimately depends on the temperature range of the intended application.…”

Section: Dissociation Equilibriummentioning

confidence: 99%

Predictive models for the phase behaviour and solution properties of weak electrolytes: nitric, sulphuric, and carbonic acids

Kohns¹,

Lazarou²,

Kournopoulos³

et al. 2021

Preprint

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The distribution of ionic species in electrolyte systems is important in many fields of science and engineering, ranging from the study of degradation mechanisms to the design of systems for electrochemical energy storage. Often, other phenomena closely related to ionic speciation, such as ion pairing, clustering and hydrogen bonding, which are difficult to investigate experimentally, are also of interest. Here, we develop an accurate molecular approach, accounting for reactions as well as association and ion pairing, to deliver a predictive framework that helps validate experiment and guides future modelling of speciation phenomena of weak electrolytes. We extend the SAFT-VRE Mie equation of state [D. K. Eriksen et al., Mol. Phys., 2016, 114, 2724–2749] to study aqueous solutions of nitric, sulphuric, and carbonic acids, considering complete and partially dissociated models. In order to incorporate the dissociation equilibria, correlations to experimental data for the relevant thermodynamic equilibrium constants of the dissociation reactions are taken from the literature and are imposed as a boundary condition in the calculations. The models for water, the hydronium ion, and carbon dioxide are treated as transferable and are taken from our previous work. We present new molecular models for nitric acid, and the nitrate, bisulfate, sulfate, and bicarbonate anions. The resulting framework is used to predict a range of phase behaviour and solution properties of the aqueous acids over wide ranges of concentration and temperature, including the degree of dissociation, as well as the activity coefficients of the ionic species, and the activity of water and osmotic coefficient, density, and vapour pressure of the solutions. The SAFT-VRE Mie models obtained in this manner provide a means of elucidating the mechanisms of association and ion pairing in the systems studied, complementing the experimental observations reported in the literature.

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“…. Sippola85,86 examined six equations for the thermodynamic equilibrium constant, including those of Pitzer et al…”

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confidence: 99%