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JOURNAL OF SOLUTION CHEMISTRY · 2017 ·Vol. 46 ·期 9 ·1767-1777 · IF 1.342

Water Activity and Solubility Measurements and Pitzer Model Simulation of the MgCl2–RbCl–H2O Ternary System at 298.15 K

Guo Lijiang,Wang Yaxiao,Tu Lanying,Li Jianqiang

Water activities for the MgCl 2 –RbCl–H 2 O ternary system and its sub-binary MgCl 2 –H 2 O and RbCl–H 2 O systems at 298.15 K have been measured using the isopiestic method. The measured results for the binary systems agree well with literature data. The measured equal water activity lines for the MgCl 2 –RbCl–H 2 O ternary system deviate from Zdanovskii’s rule. The solubilities for the MgCl 2 –RbCl–H 2 O ternary system also have been measured using a isothermal visual first/last crystal method, and the results are consistent with one reported set of solubility data. Pitzer’s model was selected to correlate the measured water activity and solubility data and the parameters reported in the literature are re-examined by comparing the model-calculated equal water activity lines and solubilities with experimental values measured in this work. New and reasonable parameters are obtained by fitting the water activity and solubility data measured in this work and those reported in the literature. The water activities and solubilities were simulated with the new parameters and the results show that the Pitzer model can successfully represent the thermodynamic properties and be used to calculate the solubility isotherms.

研究领域: 化学热力学 · 物理化学
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RUSSIAN JOURNAL OF INORGANIC CHEMISTRY · 2023 ·Vol. 67 ·期 1 ·S78 · IF 2.1

Isopiestic Determination and Simulation of Water Activity in the LiCl−KCl−H2O Ternary System at 323.15 K

Han H. J.,Ma J. J.,Xing K. Q.,Shao D. X.,Zhong S. K.

Abstract In this work, the equal-water activities for the ternary system LiCl−KCl−H 2 O and its sub-binary systems LiCl−H 2 O were determined using an isopiestic method at 323.15 K. The determined isopiestic composition lines for the LiCl−KCl−H 2 O system were found to deviated Zdanovskii rule high with increasing ionic strength of the mixture solution. The addition of KCl to an aqueous solution of LiCl was found to decrease and increase the water activity at low and high LiCl molality. The Pitzer–Simonson–Clegg (PSC) model was used to represent the experimental determined water activities of the titled system and the calculated values are discussed. Based on the calculated results, the turning point appears at about 17.0 mol kg −1 LiCl solution.

CAS / MDL: 10043-52-4
研究领域: 化学 · 物理化学
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JOURNAL OF SOLUTION CHEMISTRY · 2018 ·Vol. 48 ·期 3 ·367-378 · IF 1.401

Water Activity and Solubility of the System MgCl2–RbCl–H2O at 323.15 K

Li Hongxia,Guo Lijiang,Li Jianqiang

The water activities of the MgCl 2 –RbCl–H 2 O ternary system and its sub-binary systems have been measured with the isopiestic method at 323.15 K. The measured water activities for the MgCl 2 –H 2 O and RbCl–H 2 O sub-binary systems agree well with the results reported in literature. The measured equal water activity lines of the MgCl 2 –RbCl–H 2 O ternary system are not straight lines, which means the mixing behavior of the solutions do not obey Zdanovskii’s rule. The solubility of the MgCl 2 –RbCl–H 2 O ternary system has been determined with the Flow-Cloud-Point method at 323.15 K, and the measured results are roughly consistent with values reported in the literature. The Pitzer model was selected to correlate the water activity and solubility data measured in this work. The predicted water activities and solubility isotherm for the MgCl 2 –RbCl–H 2 O ternary system at 323.15 K, with binary solution parameters only, both deviated from the experiment values. The ternary solution Pitzer model parameters were obtained by fitting the measured water activities in the ternary system. The water activities and solubility isotherms of the MgCl 2 –RbCl–H 2 O ternary system at 323.15 K were calculated including both binary and ternary solution parameters. The calculated water activities are consistent with the experimental values. The calculated solubility isotherms are roughly consistent with experiment values, except they deviate somewhat in the RbCl crystallization region.

研究领域: 化学 · 物理化学
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FLUID PHASE EQUILIBRIA · 2020 · IF 2.838

Solubility determination and thermodynamic modeling of solid−liquid equilibria in the LiBO2−Li2B4O7−H2O system at 298.15 K and 323.15 K

Lan Yang,Lele Chen,Tao Zhang,Dan Li,Lingzong Meng,Tianlong Deng,Yafei Guo

The solubilities and the refractive indices in the ternary system LiBO 2 −Li 2 B 4 O 7 −H 2 O at 298.15 K and 323.15 K were determined with the isothermal dissolution method. The phase diagrams and refractive index diagrams were drawn with the experimental values. The phase diagrams at 298.15 K and 323.15 K consist of one invariant point, two univariant curves and two crystallization regions corresponding to Li 2 B 4 O 7 ·3H 2 O, LiBO 2 ·8H 2 O (at 298.15 K) and LiBO 2 ·2H 2 O (at 323.15 K). Based on the Pitzer model, the mixing ion-interaction parameters ( θ B ( O H ) 4 − , B 4 O 5 ( OH ) 4 2 − and Ψ L i + , B ( O H ) 4 − , B 4 O 5 ( O H ) 4 2 − ) at 298.15 K and 323.15 K were fitted with the solubility data. A comparison shows that the calculated solubilities in the ternary system at 298.15 and 323.15 K agree well with the experimental data. The phase diagram and Pitzer model for the ternary system were then used to conduct isothermal evaporation simulation. Different salt will be obtained if the original solution point in different unsaturated regions.

CAS / MDL: 13453-69-5 12007-60-2
研究领域: 化学 · 材料科学 · 物理化学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2021 · IF 3.178

Thermodynamic properties and thermodynamic modelling for aqueous mixed system containing lithium metaborate and sodium metaborate

Tao Zhang,Lan Yang,Dan Li,Lingzong Meng,Yafei Guo,Tianlong Deng

The pH values, solubilities and water activities in the system LiB(OH) 4 –NaB(OH) 4 –H 2 O at 323.15 K were investigated. The mole fractions of boron species were calculated in the aqueous borate solutions, and the distribution and relevant mechanism were also discussed. The solubility diagrams in the ternary system were drawn at 323.15 K. The phase diagram consists of two single salt regions for LiB(OH) 4 and NaB(OH) 4 ·2H 2 O, one invariant point co-saturated with the above salts. On the basis of the Pitzer model, the Pitzer binary parameters and mixing parameters were fitted with the water activities, saturated vapour pressure and solubilities in the ternary system. The dissolution equilibrium constants ( K sp) of LiB(OH) 4 and NaB(OH) 4 ·2H 2 O were calculated using the experimental solubility data. The calculated solubilities with the parameters and K sp agree well with the experimental data.

CAS / MDL: 13453-69-5 10555-76-7
研究领域: 物理化学 · 热力学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2021 · IF 3.178

Volumetric properties of the ternary system (CsCl + Cs2SO4 + H2O) and its subsystems from 283.15 to 363.15 K and atmospheric pressure: Experimental and thermodynamic model

Kangrui Sun,Ziwei Bi,Yanqin Meng,Yafei Guo,Lingzong Meng,Tianlong Deng

The salt-water interactions on single salt aqueous solutions of cesium sulfate and cesium chloride, as well as their mixing solutions, have been investigated by a combination of density measurements by an Anton Paar Digital vibrating-tube densimeter and the correction of the Pitzer model of electrolyte. The volumetric properties including apparent molar volume ( V ϕ ) and the coefficient of thermal expansion of the solution ( α ) of the binary systems (CsCl + H 2 O), (Cs 2 SO 4  + H 2 O) and the ternary system (CsCl +  Cs 2 SO 4  + H 2 O) from 283.15 to 363.15 K at 5 K intervals and atmospheric pressure were derived. Variation trends of these volumetric properties against temperature and molality were revealed minutely. The Pitzer single salt parameters ( β MX 0 v , β MX 1 v and C MX v , MX = CsCl and Cs 2 SO 4 ), mixing ion-interaction parameters ( θ Cl , S O 4 v and ψ Cs , Cl , S O 4 v ) as well as the correlation coefficient a i in the temperature-dependence equation ( F ( i, p, j ) =  a 1  +  a 2 ln( T /298.15) +  a 3 ( T -298.15) +  a 4 /(620- T ) +  a 5 /( T -227)) have been obtained according to Pitzer ion-interaction model of electrolytes. These results are helpful to understanding the ion-interaction of aqueous solutions.

研究领域: 物理化学 · 热力学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2024 · IF 2

Isopiestic Determination of Water Activities and Solid–Liquid Equilibria in the Mixed Borate System NaB(OH)4–Na2B4O5(OH)4–H2O at 323.15 K

Yi Hua,Jinqiu Ma,Shuaiqi Sun,Qingfen Meng,Dan Li,Yong Ma,Lingzong Meng,Guangli Zhou

The water activities and osmotic coefficients in the ternary system NaB(OH)4–Na2B4O5(OH)4–H2O at 323.15 K were investigated with the isopiestic method. The solubilities and physicochemical properties in the NaBO2–Na2B4O7–H2O system at 323.15 K were studied with the isothermal dissolution equilibrium method. The phase diagram in the system consists of two single salt regions for NaBO2·4H2O and Na2B4O7·10H2O, one invariant point saturated with the above salts, and two univariant solubility curves. On the basis of the Pitzer model, the Pitzer binary parameters of Na2B4O5(OH)4 and mixing parameters were fitted with the osmotic coefficients and solubilities. The dissolution equilibrium constant of Na2B4O7·10H2O was calculated with the experimental solubility data and parameters. The calculated solubilities and water activities with the parameters and dissolution equilibrium constants of NaBO2·4H2O and Na2B4O7·10H2O agree with the experimental data.

CAS / MDL: 1303-96-4
研究领域: 物理化学 · 材料科学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2017 · IF 2.323

Thermodynamics and Phase Equilibrium of the System CsCl–MgCl2–H2O at 298.15 K

Lijiang Guo,Yaxiao Wang,Lanying Tu,Jianqiang Li

Water activities of the CsCl–MgCl2–H2O ternary system and its sub-binary systems were elaborately measured by an isopiestic method at 298.15 K. The solubility of this ternary system at 298.15 K was also measured by two different methods, namely isothermal method and Flow-Cloud-Point method. The solubilities measured by the two different methods were consistent with each other. A Pitzer model was used to represent the thermodynamic properties and calculate the solubility isotherms for the CsCl–MgCl2–H2O ternary system at 298.15 K. Both the equal water activity lines and the solubility isotherms are calculated with parameters reported in literature. It was found that only the calculated equal water activity lines with the parameters reported by Scharge et al. are consistent with the experimental values of this work. However, all the calculated solubility isotherms deviated from the experimental data in this work. New set of ternary parameters were obtained by fitting the water activities and solubility data of this work. Using the new parameters, the calculated equal water activity lines and solubility isotherms agreed with experimental values measured in this work.

研究领域: 物理化学 · 无机化学
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