The first ionization of carbonic acid in aqueous solutions of potassium chloride including the activity coefficients of potassium bicarbonate

Roy, Rabindra N.; Gibbons, James J.; Wood, Mark D.; Williams, Rick; Peiper, J. Christopher; Pitzer, Kenneth S.

doi:10.1016/0021-9614(83)90102-7

Cited by 21 publications

(13 citation statements)

References 23 publications

(5 reference statements)

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“…In contrast to Pitzer et al 9 , who estimated the second virial coefficients based mainly on the experimental data of the osmotic and activity coefficients recommended by Robson and Stokes [11][12][13][14][15] , which were obtained in the 1960s, this study also includes newer published data for the osmotic coefficients, e.g. 16,17,18,19,20,21,22,23 as well as data from some secondary sources, such as Goldberg et al [24][25][26][27] and Hamer et al 28 . These sources are secondary sources in the sense that their work includes tables of recommended values rather than experimental data.…”

Section: Re-estimating the Second Virial Coefficients In The Pitzer Ementioning

confidence: 93%

“…Likewise, the tables of activities and osmotic coefficients generated by Hamer et al 28 , Goldberg et al [24][25][26][27] Therefore, based on the high accuracy of the methods to estimate the osmotic coefficients as well as the high reliability of the sources of information used in this work, it appears that the impact of the uncertainty of the data in the correlation accuracy is low. 8,9,10,16,23,10,34 . Finally, Table 1 includes the classification of each ion in terms of its effects on the structure of water, which can be either by increasing the stability of the waterwater interactions (structure makers or kosmotropes) or by disrupting it (structure breakers or chaotropes).…”

Section: Correlation Accuracy Relative To the Uncertainty Of The Datamentioning

confidence: 99%

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Estimation of the Pitzer Parameters for 1–1, 2–1, 3–1, 4–1, and 2–2 Single Electrolytes at 25 °C

et al. 2016

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The Pitzer model is one of the most important thermodynamic models to predict the behavior of aqueous electrolyte solutions, especially at high ionic strengths. However, most of the parameters in the Pitzer equations have to be obtained experimentally and this represents an important drawback to this model. Therefore, in order to make the Pitzer equations less dependent on experimental data and more dependent on the properties of the solution, new equations that correlate the Pitzer equations with the properties of the solution have been successfully developed for 1-1, 2-1, 3-1, 4-1 and 2-2 electrolytes. In particular, these equations were developed for two cases: (i) considers the original Pitzer equations and (ii) considers some simplifications to the Pitzer equation (assuming C  B and  ). In particular, for case (ii), the second virial coefficients B and Bof the Pitzer equations were re-estimated using published experimental data of the osmotic coefficient obtained from the literature. As a conclusion, both the simplified and the original Pitzer equations presented a very good match with this published experimental data for the osmotic coefficients.Additionally, the second virial coefficients B and B for both cases were successfully correlated with the ionic radius and the ionic charge, and this is confirmed by the very high coefficients of determination achieved (R 2 >0.96). However, these new equations are valid only to cases in which no significant ion association occurs, which is also the basic premise of the original Pitzer model.

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Section: Re-estimating the Second Virial Coefficients In The Pitzer Ementioning

confidence: 93%

Section: Correlation Accuracy Relative To the Uncertainty Of The Datamentioning

confidence: 99%

Estimation of the Pitzer Parameters for 1–1, 2–1, 3–1, 4–1, and 2–2 Single Electrolytes at 25 °C

et al. 2016

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“…Many authors have previously evaluated the parameters needed for this system. The adjustable parameters are functions of temperature and are available in Refs 18–38…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

“… j From Roy et al38 Parameters not presented or with the symbol (–) are assumed null. Most of these parameters are temperature dependant. …”

Section: Thermodynamic Modelsmentioning

confidence: 99%

A general dynamic model for multiphase electrolytic systems

Serin¹,

Cézac²,

Contamine³

et al. 2012

AIChE Journal

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The study and characterization of aqueous solutions are becoming an important research topic because of their central role in many processes. The modeling of these solutions is complicated by different factors: the important number of ionic and nonionic species, the nonideality of aqueous solutions, the appearance and disappearance of thermodynamic phases (solid, vapor) depending on operating conditions. This article presents a general model in dynamic state of aqueous electrolytic system involving liquid, vapor, and solid phases. The mathematical formulation includes: physical and chemical equilibria, mass and energy balances, electroneutrality equation and evaporation equation. The set of equations is solved by the Gear's method. The model is validated by the comparison between modeled results (activity coefficients, solubility, evaporite sequence) and experimental data. One of the purposes of the model will be the simulation of a production process of salt crystals and waters concentrated in minerals of interest. © 2012 American Institute of Chemical Engineers AIChE J, 2012

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“…Determination of the nonideality requires accurate experimental information about the ionic activity coefficients as a function of temperature and concentration. Unfortunately, data are only available for the single electrolyte subsystems [10][11][12][13][14][15][16][17][18][19][20][21][22][23][24]. However, if an appropriate multicomponent, electrolyte activity coefficient model is selected, it is possible to predict the thermodynamic behaviour of the aqueous bicarbonate/formate mixture on the basis of data obtained from these single electrolyte subsystems.…”

Section: Introductionmentioning

confidence: 99%

Chemical equilibrium of hydrogen and aqueous solutions of 1:1 bicarbonate and formate salts with a common cation

Engel

Versteeg

Swaaij

1997

Fluid Phase Equilibria

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The first ionization of carbonic acid in aqueous solutions of potassium chloride including the activity coefficients of potassium bicarbonate

Cited by 21 publications

References 23 publications

Estimation of the Pitzer Parameters for 1–1, 2–1, 3–1, 4–1, and 2–2 Single Electrolytes at 25 °C

Estimation of the Pitzer Parameters for 1–1, 2–1, 3–1, 4–1, and 2–2 Single Electrolytes at 25 °C

A general dynamic model for multiphase electrolytic systems

Chemical equilibrium of hydrogen and aqueous solutions of 1:1 bicarbonate and formate salts with a common cation

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