Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Lattice potential energies and thermochemical properties of phase change materials (1-CnH2n+1NH3)2MnCl4(s) (n = 10 and 11)

Zhong, W.-W.[Wen-Wen], Di, [You-Ying], Kong, Y.-X.[Yu-Xia], Lu, D.-F.[Dong-Fei], Dou, J.-M.[Jian-Min]
J. Chem. Thermodyn. 2014, 72, 100-107
ABSTRACT
Two novel crystalline compounds (1-C10H21NH3)2MnCl4(s) and (1-C11H23NH3)2MnCl4(s), which may be used as solid solid phase change materials, were synthesized. The compositions and mass fraction purities of the samples prepared were determined by chemical and elemental analyses. The crystal structures of the two compounds were characterised by X-ray crystallography. The lattice potential energies of the two compounds were obtained from crystallographic data. Molar enthalpies of dissolution of the compounds at various values of molality were measured in the double-distilled water at T = 298.15 K by means of an isoperibol solution reaction calorimeter. According to Pitzer s unsymmetrical mixing electrolyte solution theory, the values of molar enthalpies of dissolution at infinite dilution and Pitzer s parameters of the compounds were obtained. Finally, using the values of molar enthalpies of dissolution at infinite dilution (DsH1m ) and other auxiliary thermodynamic data, the enthalpy change of the dissociation of [MnCl4]2 (g) for the reaction 1/2MnCl4 2 ogP ! Mn2pogP p 4Cl ogP was derived.
Compounds
# Formula Name
1 C20H48Cl4MnN2 tetrachlorobis(decylammonium) manganese II
2 C22H52Cl4MnN2 bis(undecylammonium) tetrachloromanganate(II)
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
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray diffraction
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray diffraction
  • 1
  • POMD
  • 3
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • ISOPERIBOL
  • 14
  • POMD
  • 3
  • 2
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • ISOPERIBOL
  • 14