Thermodynamics of salt lake system: Representation, experiments, and visualization

Kwok, Kui S.; Ng, Ka Ming; Taboada, María E.; Cisternas, Luís A.

doi:10.1002/aic.11421

Cited by 21 publications

(17 citation statements)

References 20 publications

(24 reference statements)

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“…Graphical visualization of phase behavior in the form of SLE phase diagram is an indispensable tool for design and synthesis of crystallization‐based separation processes 35. To establish a feasible way to recover NH 4 Cl from filtrate in the process of MgO production, the calculated and experimental phase behaviors of the ternary system are represented on an equilateral triangle in Figure 8.…”

Section: Resultsmentioning

confidence: 99%

Modeling solid–liquid equilibrium of NH₄Cl‐MgCl₂‐H₂O system and its application to recovery of NH₄Cl in MgO production

Wang

2011

AIChE Journal

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A new method to recover NH 4 Cl from NH 4 Cl-rich aqueous solutions generated in the magnesia (MgO) production is developed on the basis of modeling the solid-liquid equilibrium (SLE) for the NH 4 Cl-MgCl 2 -H 2 O system with the Pitzer model embedded in Aspen Plus TM platform. The SLE values for the ternary system were determined from 278.15 to 348.15 K. The new standard-state chemical potentials of NH 4 Cl and MgCl 2 Á6H 2 O were judicially obtained. The resulting equilibrium constants were used to determine new interaction parameters for the NH 4 Cl-H 2 O and MgCl 2 -H 2 O systems. These new parameters, together with the mixing parameters determined from correlating the experimental values, were used to correlate the equilibrium constant for NH 4 MgCl 3 Á6H 2 O, which plays a key role in NH 4 Cl recovery. The results could extend SLE calculation for the NH 4 Cl-MgCl 2 -H 2 O system from 278.15 to 388.15 K, satisfying the process identification and simulation requirement involved in the recovery process. The phase-equilibrium diagram generated by modeling was illustrated to identify the process alternatives for recovering NH 4 Cl. The resulting course to recover NH 4 Cl by three fractional crystallization operations was finally proved feasible.

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Section: Resultsmentioning

confidence: 99%

Modeling solid–liquid equilibrium of NH₄Cl‐MgCl₂‐H₂O system and its application to recovery of NH₄Cl in MgO production

Wang

2011

AIChE Journal

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“…Since phase diagrams translate the intangible phase behavior of chemical systems into visible pictorial features such as curves and surfaces (Kwok et al 2008), based on the insights derived from the further visualization of this system through projections as volumes, desirable technological schemes and strategies can be formulated to enable isolation of targeted pure solid phases from this industrially important and complex system.…”

Section: Resultsmentioning

confidence: 99%

Phase equilibria in the sea-water Na, K, Mg//Cl, SO4–H2O quinary system at 0 °C

Tursunbadalov

Солиев

2020

Braz. J. Chem. Eng.

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The phase equilibria in the quinary Na, K, Mg//Cl, SO 4-H 2 O seawater system at 0 °C were determined and a total phase equilibria diagram for the system was constructed by means of the translation method consistent with available literature data. There are seven points, 21 curves and 22 fields saturated, respectively, with 4, 3 and 2 equilibrium solid phases, for the quinary composition of the system. The constructed total phase equilibria diagram of the system was fragmented into divariant co-crystallization fields of two different solid phases and trivariant crystallization volumes of each of the solid phases at equilibrium. The structures of nine Janecke dry-salt phase diagrams were obtained by fragmentation of the total phase equilibria diagram into crystallization volumes. The comparison with the available literature data shows that, the obtained crystallization volume for halite agrees well with the available experimental data.

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“…Knowledge of the thermodynamic properties is essential to the successful development, optimization, and scale‐up of crystallization process . And graphical visualization of phase behavior in the form of ternary phase diagrams (TPD) is an indispensable tool for design and synthesis of cocrystal materials and is also the basis for the selective cocrystallization process . Typically, a cocrystal is a single crystalline structure composed of two or more components with definite stoichiometric ratio based on noncovalent bonds, with no proton transfer between the comcomponents …”

Section: Introductionmentioning

confidence: 99%

Thermodynamic mechanism of selective cocrystallization explored by MD simulation and phase diagram analysis

et al. 2019

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The thermodynamic mechanism of selective cocrystallization was investigated by combination of molecular dynamics (MD) simulations and phase diagram analysis, using system of urea and cresol isomers as model compounds. Hansen solubility parameters (HSPs) models were utilized to predict miscibility and cocrystal formation. Thermodynamic phase diagrams of cresol isomers and urea were measured with the help of process analysis technology. MD simulations were performed to investigate the intermolecular interactions between m‐ and/or p‐cresol and urea, by calculating the solvation free energies (SFEs) and analysing radial distribution functions (RDFs). The simulation and experimental results indicate that the solubility data of urea are apparently affected by the SFEs, which are linearly related with the concentration of urea. Moreover, it was also found that the type of O‐H···O=C hydrogen bond plays a critical role in the contribution of intermolecular interactions and is also a key factor for selective cocrystallization.

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Thermodynamics of salt lake system: Representation, experiments, and visualization

Cited by 21 publications

References 20 publications

Modeling solid–liquid equilibrium of NH₄Cl‐MgCl₂‐H₂O system and its application to recovery of NH₄Cl in MgO production

Modeling solid–liquid equilibrium of NH₄Cl‐MgCl₂‐H₂O system and its application to recovery of NH₄Cl in MgO production

Phase equilibria in the sea-water Na, K, Mg//Cl, SO4–H2O quinary system at 0 °C

Thermodynamic mechanism of selective cocrystallization explored by MD simulation and phase diagram analysis

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Thermodynamics of salt lake system: Representation, experiments, and visualization

Cited by 21 publications

References 20 publications

Modeling solid–liquid equilibrium of NH4Cl‐MgCl2‐H2O system and its application to recovery of NH4Cl in MgO production

Modeling solid–liquid equilibrium of NH4Cl‐MgCl2‐H2O system and its application to recovery of NH4Cl in MgO production

Phase equilibria in the sea-water Na, K, Mg//Cl, SO4–H2O quinary system at 0 °C

Thermodynamic mechanism of selective cocrystallization explored by MD simulation and phase diagram analysis

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Modeling solid–liquid equilibrium of NH₄Cl‐MgCl₂‐H₂O system and its application to recovery of NH₄Cl in MgO production

Modeling solid–liquid equilibrium of NH₄Cl‐MgCl₂‐H₂O system and its application to recovery of NH₄Cl in MgO production