Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Calorimetric measurements and first principles to study the (Ag-Li) liquid system

Debski, A., Braga, M. H., Gasior, W.
J. Chem. Thermodyn. 2015, 82, 53-57
ABSTRACT
Integral molar enthalpies of mixing were determined by drop calorimetry for (Ag-Li) liquid alloys at two temperatures (1253 and 873) K. The integral molar enthalpies of mixing are negative in the entire range of concentrations. For the mole fraction of lithium XLi = 0.5664, minimum value of the integral enthalpy of mixing of at DHm = 11.679 kJ/mol was observed. For (Ag-Li) liquid alloys, between T = (873 and 1253) K no temperature dependence was observed. Ab initio molecular dynamics was used to simulate liquid phase structures at T = 873 K (Li-rich side) and at T = 1250 K (Ag-rich phase) for subsequent calculation of the vibrational energy, respectively. Our measured and calculated data were compared with literature data.
Compounds
# Formula Name
1 Ag silver
2 Li lithium
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
  • 2
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 37