Thermodynamic study of the KMgAlClSO4H2O system at the temperature 298.15 K

Christov, Christomir

doi:10.1016/s0364-5916(01)00063-3

Cited by 38 publications

(56 citation statements)

References 26 publications

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“…Christov [14] evaluate binary parameters for AlCl3-H2O system at 25 o C, using osmotic coefficients data up to supersaturated solutions: from Mason [43] between 0 and 1.7 mol.kg -1 , and from Mikulin [27] between 2 and 3.44 mol.kg -1 . These parameters are directly used to develop a solid-liquid equilibrium model for quaternary K-Mg-Al-Cl-H2O system at 25 o C [14].…”

Section: Nacl-alcl3-h2o Systemmentioning

confidence: 99%

“…These parameters are directly used to develop a solid-liquid equilibrium model for quaternary K-Mg-Al-Cl-H2O system at 25 o C [14]. The binary parameters published by [14,20] are tested here using our new calculation PHREEQC code. These parameters give a very good agreement between experimental φ data and model predictions up to molality of saturation (see Fig.…”

Section: Nacl-alcl3-h2o Systemmentioning

confidence: 99%

“…1a below). Therefore, these parameters and solubility product for AlCl3, 6H2O(s) (from [14,20]) are selected without any modification in construction of mixing Na-Al-Cl-H2O model.…”

Section: Nacl-alcl3-h2o Systemmentioning

confidence: 99%

“…Our preliminary modeling study on the development of model for corresponding sulfate system Na-Al-SO4-H2O shows that θ(Na,Al) parameter from [28] can not fit well the solubility data in this ternary. In a series of papers Christov [14], developed a solid-liquid equilibrium model, which includes all ternary subsystems within K-Mg-Al-Cl-SO4-H2O, Na-K-NH4-Al-Cr-SO4-H2O [15][16][17] and Na-K-Mg-Fe(III)-Cl-SO4-H2O [21] systems. The author found that for all considered ternary chloride (1-1)+(3-1) and (1-2)+(3-2) sulfate mixtures a θ(Na,M(III)) value equals to (-0.07) gives a very good agreement between experimental solubility data in mixed ternary and quaternary systems, and model predictions.…”

Section: Nacl-alcl3-h2o Systemmentioning

confidence: 99%

“…This is why a permanent updating work must be done in order to increase their applicability, and consequently the quality of predicted results. This paper continues our series () concerning parameterization of Pitzer approach based comprehensive models which can assist in the development of a complex thermodynamic database that can accurately predict the chemical behavior of aluminium Al 3+ [10][11][12][13][14][15][16][17], chromate (CrO4) [18], dichromate (Cr2O7) [19,20], and Iron (as Fe 2+ [21], and Fe 3+ [21,35] solution species and minerals in a sea-type natural fluid systems. The main objective of this study is the development of a high accuracy thermodynamic model for solution behavior, and highly soluble M(III)Cl3(s) (M= Al, Fe, Cr) minerals solubility in Na-Al(III)-Cr(III)-Fe(III)-Cl-H2O system at 25°C.…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H₂O system at 25°C

André

Christov

Lassin

et al. 2018

Acta Scientifica Naturalis

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Section: Nacl-alcl3-h2o Systemmentioning

confidence: 99%

Section: Nacl-alcl3-h2o Systemmentioning

confidence: 99%

“…1a below). Therefore, these parameters and solubility product for AlCl3, 6H2O(s) (from [14,20]) are selected without any modification in construction of mixing Na-Al-Cl-H2O model.…”

Section: Nacl-alcl3-h2o Systemmentioning

confidence: 99%

Section: Nacl-alcl3-h2o Systemmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H₂O system at 25°C

André

Christov

Lassin

et al. 2018

Acta Scientifica Naturalis

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A practical approach to produce Mg‐Al spinel based on the modeling of phase equilibria for NH₄Cl‐MgCl₂‐AlCl₃‐H₂O system

Gao

2012

AIChE Journal

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Based on chemical modeling of phase equilibria for the NH4Cl‐MgCl2‐AlCl3‐H2O system, a practical approach to produce Mg‐Al spinel (MgAl2O4) (widely used as refractory brick, supports in catalysts, and inert material for oxygen carriers) is proposed and proven feasible. This novel process includes coprecipitation of Mg4Al2(OH)14·3H2O from the NH3‐MgCl2‐AlCl3‐H2O system; calcination of Mg4Al2(OH)14·3H2O to obtain Mg‐Al spinel and recovery of NH4Cl from NH4Cl‐rich solutions by feeding MgCl2‐AlCl3. A MSMPR reactor was applied to investigate the effect of temperature, feed concentration, and NH4Cl addition on coprecipitation of precursor Mg4Al2(OH)14·3H2O from MgCl2‐AlCl3 solutions with Mg/Al ratio = 2 through gradual addition of NH4OH. The phase equilibria of the NH4Cl‐MgCl2‐AlCl3‐H2O system were determined over the temperature range 283.2 to 363.2 K using dynamic method. The experimental solubilities were regressed to obtain new Bromley‐Zemaitis model parameters. These newly obtained parameters were verified by predicting the quaternary system. A chemical model for the NH4Cl‐MgCl2‐AlCl3‐H2O system has been established with the OLI platform. All the results generated from this study will provide the theoretical basis for Mg‐Al spinel production. The high quality Mg‐Al spinel was prepared by calcination of precursor from 773.2 to 1273.2 K, and the NH4Cl was successfully recovered through the common ion effect of MgCl2‐AlCl3 addition. © 2012 American Institute of Chemical Engineers AIChE J, 59: 1855–1867, 2013

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Kinetic modeling of laboratory CO₂‐exposure experiments performed on whole rock reservoir samples

2014

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Mineralogical and geochemical observations from laboratory CO2‐exposure experiments on reservoir rocks are compared with predictions from geochemical modeling that was performed using PHREEQC software. The Pitzer‐based Eq 3/6 thermodynamic database, provided by Quintessa Ltd., was applied. For kinetic modeling, a Lasaga‐type rate equation was implemented and different models were parameterized taking kinetic rate law parameters from literature. Based on previous modeling studies a modified inverse modeling approach is presented here. This comprises several different Fe‐proxies and improved statistical ranking preferences that were implemented in particular to better match modeled and measured concentrations of dissolved K+, Fe2+ and Al3+. Compared to the previous approach, the presented modeling results are in good (better) agreement with experimental data. Systematic discrepancies between modeling and observation still occur regarding K‐bearing mineral phases and corresponding K+ brine concentrations. Despite missing correlation between K+ and Cl− concentrations, potential reasons for these discrepancies may be increased K+ brine concentrations during the experiments due to dissolution of K‐rich salt(s), such as sylvite. Much better matches were generated for dissolved Fe2+ concentrations. Goethite mainly controls the chemical behavior of dissolved Fe2+ in kinetic simulations. Based on both the available equilibrium and kinetic modeling results, the ultimate fate of dissolved Al3+ and the analysis of Al‐bearing mineral phases potentially controlling dissolved Al3+ brine concentrations cannot be conclusively determined. The overall best ranked kinetic model comprises anhydrite, dolomite, goethite, K‐feldspar and kaolinite. Despite minor inconsistencies dissolved Fe2+, Al3+ and Si4+ were in particular much better reproduced by the best ranked kinetic models.

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Thermodynamic study of the KMgAlClSO4H2O system at the temperature 298.15 K

Cited by 38 publications

References 26 publications

Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H₂O system at 25°C

Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H₂O system at 25°C

A practical approach to produce Mg‐Al spinel based on the modeling of phase equilibria for NH₄Cl‐MgCl₂‐AlCl₃‐H₂O system

Kinetic modeling of laboratory CO₂‐exposure experiments performed on whole rock reservoir samples

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Thermodynamic study of the KMgAlClSO4H2O system at the temperature 298.15 K

Cited by 38 publications

References 26 publications

Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H2O system at 25°C

Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H2O system at 25°C

A practical approach to produce Mg‐Al spinel based on the modeling of phase equilibria for NH4Cl‐MgCl2‐AlCl3‐H2O system

Kinetic modeling of laboratory CO2‐exposure experiments performed on whole rock reservoir samples

Contact Info

Product

Resources

About

Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H₂O system at 25°C

Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H₂O system at 25°C

A practical approach to produce Mg‐Al spinel based on the modeling of phase equilibria for NH₄Cl‐MgCl₂‐AlCl₃‐H₂O system

Kinetic modeling of laboratory CO₂‐exposure experiments performed on whole rock reservoir samples