Thermodynamics Research Center / ThermoML | Thermochimica Acta

Infrared thermography method for fast estimation of phase diagrams

Del Barrio, E. P.[Elena Palomo], Cadoret, R.[Regis], Daranlot, J.[Julien], Achchaq, F.[Fouzia]
Thermochim. Acta 2016, 625, 9-19
ABSTRACT
Phase change materials (PCM) are widely used today in thermal energy storage applications. Pure PCMs are rarely used because of non adapted melting points. Instead of them, mixtures are preferred. The search of suitable mixtures, preferably eutectics, is often a tedious and time consuming task which requires the determination of phase diagrams. In order to accelerate this screening step, a new method for estimating phase diagrams in record time (1 3 h) has been established and validated. A sample composed by small droplets of mixtures with different compositions (as many as necessary to have a good coverage of the phase diagram) deposited on a flat substrate is first prepared and cooled down to ambient temperature so that all droplets crystallize. The plate is then heated at constant heating rate up to a sufficiently high temperature for melting all the small crystals. The heating process is imaged by using an infrared camera. An appropriate method based on singular values decomposition technique has been developed to analyze the recorded images and to determine the transition lines of the phase diagram. The method has been applied to determine several simple eutectic phase diagrams and the reached results have been validated by comparison with the phase diagrams obtained by Differential Scanning Calorimeter measurements and by thermodynamic modelling.
Compounds
# Formula Name
1 C4H10O4 meso-1,2,3,4-butanetetrol
2 C6H14O6 D-mannitol
3 C6H14O6 dulcitol
4 C5H12O5 xylitol
5 C5H12O5 SRS-1,2,3,4,5-pentanepentol
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:corrimp
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Infrared thermography
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:corrimp
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Infrared thermography
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Infrared thermography
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:corrimp
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Infrared thermography
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:corrimp
  • 1
  • POMD
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Infrared thermography
  • 1
  • POMD
  • 1
  • 3
  • Eutectic temperature, K ; Crystal - 1
  • Crystal - 1
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:4
  • 1
  • POMD
  • 1
  • 3
  • Eutectic temperature, K ; Crystal - 1
  • Crystal - 1
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • OTHER:UFactor:4:sMethod:Infrared thermography
  • 1
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA:corrimp:UFactor:4
  • 5
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Infrared thermography
  • 39
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Infrared thermography
  • 6
  • POMD
  • 2
  • 3
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:4
  • 1
  • POMD
  • 2
  • 3
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • OTHER:UFactor:4:sMethod:Infrared thermography
  • 1
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA:corrimp:UFactor:4
  • 8
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Infrared thermography
  • 17
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Infrared thermography
  • 13
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:corrimp:UFactor:4
  • 8
  • POMD
  • 4
  • 3
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:4
  • 1
  • POMD
  • 4
  • 3
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • OTHER:UFactor:4:sMethod:Infrared thermography
  • 1
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA:corrimp:UFactor:4
  • 5
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Infrared thermography
  • 48
  • POMD
  • 5
  • 3
  • Eutectic temperature, K ; Crystal - 5
  • Crystal - 5
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:4
  • 1
  • POMD
  • 5
  • 3
  • Eutectic temperature, K ; Crystal - 5
  • Crystal - 5
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • OTHER:UFactor:4:sMethod:Infrared thermography
  • 1
  • POMD
  • 5
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA:corrimp:UFactor:4
  • 5
  • POMD
  • 5
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Infrared thermography
  • 47
  • POMD
  • 2
  • 5
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 5
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:4
  • 1
  • POMD
  • 2
  • 5
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 5
  • Liquid
  • Air at 1 atmosphere
  • OTHER:UFactor:4:sMethod:Infrared thermography
  • 1
  • POMD
  • 2
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:corrimp:UFactor:4
  • 5
  • POMD
  • 2
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Infrared thermography
  • 48
  • POMD
  • 2
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Infrared thermography
  • 2
  • POMD
  • 2
  • 4
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 4
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:4
  • 1
  • POMD
  • 2
  • 4
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 4
  • Liquid
  • Air at 1 atmosphere
  • OTHER:UFactor:4:sMethod:Infrared thermography
  • 1
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:corrimp:UFactor:4
  • 5
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Infrared thermography
  • 42
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Infrared thermography
  • 2