Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Experimental Data and Modeling of Solution Density and Heat Capacity in the Na-K-Ca-Mg-Cl-H2O System up to 353.15 K and 5 mol*kg-1 Ionic Strength

Lach, Adeline, Ballerat-Busserolles, Karine, Andre, Laurent, Simond, Mickael, Lassin, Arnault, Cezac, Pierre, Neyt, Jean-Claude, Serin, Jean-Paul
J. Chem. Eng. Data 2017, 62, 10, 3561-3576
ABSTRACT
This work is on in the volumetric and thermal properties of brines in the quinary Na-K-Ca- Mg-Cl-H2O chemical system. Its objective is twofold. First, by acquiring original data for temperatures ranging from 278.15 to 353.15 K, and ionic strengths ranging from 1.3 to 5.1 mol*kg-1 it aimed to add to the experimental data set, usually acquired only at high ionic strengths or at 298.15 K. Experimental solution density was measured using a vibrating-tube densitometer with relative uncertainty, An/n, better than 6.10-6. This property, combined with volumetric heat capacity measurements, provided the isobaric heat capacity of solution determined with a mean relative deviation better than 0.3 %. Secondly, we used PhreeSCALE software to compute the density and heat capacity of the chemical system of interest, simultaneously applying the Pitzer and the Helgeson-Kirkham-Flowers (HKF) equations. We propose a new set of specific interaction parameters so that published and newly measured experimental data can be described accurately. We show that only binary interaction parameters are necessary, and that ternary interaction parameters could be set to zero.
Compounds
# Formula Name
1 ClNa sodium chloride
2 Cl2Mg magnesium chloride
3 H2O water
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • 2
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 2; Liquid
  • Liquid
  • Vibrating tube method
  • 5
  • POMD
  • 1
  • 2
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 2; Liquid
  • Liquid
  • Large sample (1 g) DSC
  • 5