ABSTRACT

In this study, we present new experimental heat capacity data of solid and liquid phase of CsF covering the temperature range from 5 K to 1400 K. The low temperature data were obtained by adiabatic calorimetry and compared with the theoretical heat capacity computed from ab initio harmonic crystal approximation. The absolute entropy at T = 298.15 K determined based on the presented results is 93:60 J K 1 mol 1. The high temperature heat capacity was measured using a drop calorimeter and the data for the solid phase revealed significant excess properties. The data for the liquid phase were correlated with the molecular dynamic simulation obtaining a good agreement. The recommended molar heat capacity of the CsF solid phase is: Cp;m oJ K 1 mol 1 P 1/4 24:291 p 6:4607 10 2 oT=KP p 589981 oT=KP 2 J K 1 mol 1 and the one of the liquid phase was determined as: Cp;m 1/4 70:56 J K 1 mol 1 : From the calorimetric results the enthalpy of fusion of CsF was determined as: 4fusH 1/4 22:1 2:0 kJ mol 1 :

Compounds

#	Formula	Name
1	CsF	cesium fluoride (CsF)

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	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	enthalpy increment functions	1
POMD	1	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	41
POMD	1	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	41
POMD	1	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	41
POMD	1	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Drop calorimetry	23
POMD	1	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Drop calorimetry	14
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Drop calorimetry	16
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Drop calorimetry	10
POMD	1	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Drop calorimetry	16
POMD	1	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Drop calorimetry	10
POMD	1	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Drop calorimetry	16
POMD	1	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Drop calorimetry	10

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

A comprehensive study of the heat capacity of CsF from T = 5 K to T = 1400 K

Benes, O., Konings, R. J. M., Sedmidubsky, D., Beilmann, M., Valu, O. S., Capelli, E., Salanne, M., Nichenko, S.

ABSTRACT