Densities of aqueous solutions of sodium carbonate and sodium bicarbonate at temperatures from (298 to 623) K and pressures to 28 MPa

Sharygin, Andrei V.; Wood, Robert H.

doi:10.1006/jcht.1998.0426

Cited by 16 publications

(16 citation statements)

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“…[27]. Circles, values obtained by extrapolation to I = 0 of data reported by [28]. Solid lines, temperature functions proposed in this study, dashed line, SUPCRT92 [12].…”

Section: Volumetric Propertiesmentioning

confidence: 66%

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Solubility equilibria. From data optimization to process simulation

Königsberger

2002

Pure and Applied Chemistry

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Models that accurately predict solid-solute phase equilibria in aqueous electrolyte solutions are of mounting importance for numerous industrial processes, especially those operating at high temperatures, pressures, and concentrations. The incorporation of such electrolyte models into process simulators is in great demand. This communication will focus on thermodynamically consistent models that can simultaneously predict densities, heat capacities, and apparent molar enthalpies of multicomponent electrolyte mixtures together with activities of their constituents. Data optimization issues to be discussed include the CALPHAD (CALculation of PHAse Diagrams) method applied to electrolyte systems and the generation of robust models that extrapolate well outside the parameterization space. Recent development of software suitable for the simulation of industrial processes involving concentrated electrolyte solutions will be outlined.

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“…[27]. Circles, values obtained by extrapolation to I = 0 of data reported by [28]. Solid lines, temperature functions proposed in this study, dashed line, SUPCRT92 [12].…”

Section: Volumetric Propertiesmentioning

confidence: 66%

“…[29]; diamonds, 100 bar [28], triangles, 280 bar [28]. The lines were calculated according to the present Pitzer model.…”

Section: Resultsmentioning

confidence: 99%

Solubility equilibria. From data optimization to process simulation

Königsberger

2002

Pure and Applied Chemistry

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“…Sharygin and Wood reported the experimental values for apparent molar heat capacities and volumes of concentrated solutions ( m ≥ 0.1) of sodium carbonate, Na 2 CO 3 (aq), and sodium bicarbonate, NaHCO 3 (aq), at pressures of 10 and 28 MPa up to 623.15 K. The analysis of these experimental values becomes quite complex, in particular at higher temperatures, due to the presence of significant hydrolysis of the carbonate ion, disproportionation of the bicarbonate ion, and the association of carbonate and bicarbonate ions with the sodium ion. However, once the parameters of the unified theory are fixed using the lower temperature experimental values, it will be possible to predict the thermodynamic properties of these important electrolytes as a function of temperature and pressure.…”

Section: Calculations and Resultsmentioning

confidence: 99%

“…The parameters values for NaHCO 3 (aq), calculated from eq 3 using the experimental values for the Gibbs free energies of NaHCO 3 (aq), are given in Table . The values of G̅ 2 ° ( T ,aq) − G̅ 2 ° (298.15 K,aq) for NaHCO 3 (aq) were calculated from the lower temperature ( T ≤ 473.15 K) C̅ p,2 ° values at 28 MPa of Sharygin and Wood using eq . These parameters were then used to predict thermodynamic properties of NaHCO 3 (aq) to higher temperatures and at different pressures.…”

Section: Calculations and Resultsmentioning

confidence: 99%

Thermodynamic Properties of Aqueous Polyatomic Ions at Extreme Temperatures and Pressures

Djamali

Cobble

2010

J. Phys. Chem. B

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Recently a theoretical treatment (J. Phys. Chem. B 2009, 113, 2398-2404) was developed for predicting the standard state thermodynamic properties of electrolytes up to and beyond the critical temperature of water (1273 K and at pressures up to 1000 MPa). In general, the model requires sufficient data at 298.15 K including the Gibbs free energy of hydration and at two higher temperatures to fix two constants for each electrolyte. This communication describes an extension of this "two constant" theory to thermodynamic properties of polyatomic ions for which no accurate data for the Gibbs free energy of hydration exits at 298.15 K.

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“…The knowledge required includes the effect of aqueous chemistry on corrosion, precipitation, life processes, and biochemical reactions at high T values. The discovery that oxidation of organic wastes in supercritical water is extremely rapid and efficient has led workers to propose supercritical water oxidation as an alternative to conventional methods of waste disposal. − Aqueous-solution chemistry under high T and P conditions has been studied using solubility measurements, , potentiometry, , electrical conductivity, − calorimetry, − isopiestic measurements, spectroscopy, − and density (ρ) measurements. − …”

Section: Introductionmentioning

confidence: 99%

Improved Thermodynamic Model for Aqueous NaCl Solutions from 350 to 400 °C

Liu¹,

Oscarson²,

Peterson³

et al. 2006

Ind. Eng. Chem. Res.

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A model, based on Helmholtz energy, that can be used to describe thermodynamics of NaCl solutions in the water near-critical region has been developed and tested as a function of temperature (350−400 °C), pressure (18−41 MPa), and solute concentration (0−5 molal) using literature densities, apparent NaCl (aq) molar volumes, heats of dilution, and apparent isobaric molar heat capacities. Densities, heats of dilution, apparent molar isobaric heat capacities, and apparent NaCl (aq) molar volumes calculated using the model agree well with literature values over the conditions studied. Calculated apparent molar isobaric heat capacities agree with literature data up to 450 °C, even though the data used in model regression were valid only at temperatures from 350 to 400 °C. Since calculation of apparent molar isobaric heat capacities involves the second temperature derivative of Helmholtz energy, extrapolation to temperatures > 400 °C is expected to give reasonable results.

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Densities of aqueous solutions of sodium carbonate and sodium bicarbonate at temperatures from (298 to 623) K and pressures to 28 MPa

Cited by 16 publications

References 1 publication

Solubility equilibria. From data optimization to process simulation

Solubility equilibria. From data optimization to process simulation

Thermodynamic Properties of Aqueous Polyatomic Ions at Extreme Temperatures and Pressures

Improved Thermodynamic Model for Aqueous NaCl Solutions from 350 to 400 °C

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