The thermodynamic properties

Rowlinson, J. S.; Swinton, F. L.

doi:10.1016/b978-0-408-24193-9.50006-0

Cited by 6 publications

(1 citation statement)

References 131 publications

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“…The measured properties have been used to derive solution isentropic compressibility. Such data are desired for the development of thermodynamic models/simulations and for the prediction of solution behavior. ,, On the other hand, morphological or crystal habit modification studies are important to find certain new applications of materials. It has been observed that small quantities of additives may change the shape, size, and kinetics of gypsum crystals .…”

Section: Introductionmentioning

confidence: 99%

Solubility Behavior of Calcium Sulfate Dihydrate (Gypsum) in an Aqueous Sodium Chloride System in the Presence of Hydroxyalkyl Ammonium Acetate Ionic Liquids Additives: Morphology Changes and Physicochemical Solution Properties at 35 °C

2019

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Dissolution characteristics of calcium sulfate dihydrate (gypsum, CaSO4·2H2O) in brines have been investigated in the presence of hydroxyalkyl ammonium acetate ionic liquids (ILs): hydroxyethylammonium acetate (HEAA), dihydroxyethylammonium acetate (DHEAA), or trihydroxyethylammonium acetate (THEAA) at 35 °C. The addition of ILs increased solubility significantly following the order: HEAA > DHEAA > THEAA. Solubility maximum of CaSO4·2H2O shifted toward a lower concentration of NaCl in solution with the addition of ILs. Mean ionic activity coefficients γ± of CaSO4·2H2O have been estimated as a function of solution ionic strength using the extended Debye–Hückel law with quadratic terms. The solubility product was calculated using a solubility equilibrium of CaSO4·2H2O. Density (ρ) and speed of sound (u) of (CaSO4·2H2O + NaCl + ILs + H2O) system have been recorded at 35 °C. Primary data on u and ρ were used to derive solution isentropic compressibility (κS). Polynomial equations have been used to fit the measured or derived properties. Dissolution kinetics of gypsum in aqueous ILs solution have been measured using in situ IR analysis, and the morphology of gypsum crystals obtained from various conditions have been examined by recording SEM images. SEM images show both classical and nonclassical crystallization behavior of gypsum, depending on the nature of the IL.

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Section: Introductionmentioning

confidence: 99%

Solubility Behavior of Calcium Sulfate Dihydrate (Gypsum) in an Aqueous Sodium Chloride System in the Presence of Hydroxyalkyl Ammonium Acetate Ionic Liquids Additives: Morphology Changes and Physicochemical Solution Properties at 35 °C

2019

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A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges

Shi

Smith

Santiso

et al. 2023

The Journal of Chemical Physics

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The pressure tensor (equivalent to the negative stress tensor) at both microscopic and macroscopic levels is fundamental to many aspects of engineering and science, including fluid dynamics, solid mechanics, biophysics, and thermodynamics. In this perspective paper, we review methods to calculate the microscopic pressure tensor. Connections between different pressure forms for equilibrium and non-equilibrium systems are established. We also point out several challenges in the field, including the historical controversies over the definition of the microscopic pressure tensor; the difficulties with many-body and long-range potentials; the insufficiency of software and computational tools; and the lack of experimental routes to probe the pressure tensor at the nanoscale. Possible future directions are suggested.

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D/H fractionation factor between water vapor and crystal water of copper chloride dihydrate: Statistical mechanical approach based on Raman spectra.

2001

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The D/H fractionation factor between crystal water in copper chloride dihydrate and water vapor was calculated from Raman spectral data for single crystals of CuCl 2 2H 2 O and CuCl 2 2D 2 O based on statistical mechanics. Single crystals of CuCl 2 2H 2 O and CuCl 2 2D 2 O were synthesized from supersaturated solutions of pure H 2 O and 99.75% D 2 O at 25°C. The calculations were made for 25°C using the reduced partition function ratio (RPFR) for gaseous equilibrium, which was assumed to be valid for crystal water-water vapor system in equilibrium. Published H 2 O and D 2 O spectroscopic data were used to calculate the RPFR for water vapor molecules.The D/H fractionation factor calculated using the 22 observed vibrational frequencies was 0.936, which is less than the experimental value of 0.999 ± 0.002 by about 6%. Including estimations of the two unobserved librational frequency ratios, the calculated value became 1.014, which is closer to the experimental value, indicating that contribution of librations is not negligible, though smaller than that of the stretching and bending vibrations.

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The thermodynamic properties

Cited by 6 publications

References 131 publications

Solubility Behavior of Calcium Sulfate Dihydrate (Gypsum) in an Aqueous Sodium Chloride System in the Presence of Hydroxyalkyl Ammonium Acetate Ionic Liquids Additives: Morphology Changes and Physicochemical Solution Properties at 35 °C

Solubility Behavior of Calcium Sulfate Dihydrate (Gypsum) in an Aqueous Sodium Chloride System in the Presence of Hydroxyalkyl Ammonium Acetate Ionic Liquids Additives: Morphology Changes and Physicochemical Solution Properties at 35 °C

A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges

D/H fractionation factor between water vapor and crystal water of copper chloride dihydrate: Statistical mechanical approach based on Raman spectra.

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