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

Phase Equilibrium of Fats and Monoterpenes and How It Affects Chocolate Quality

Di Prinzio, R. C.[Renata Costa], Pontes, P. V. d. A.[Paula Virginia de Almeida], da Costa, M. C.[Mariana Conceicao], Meirelles, A. J. d. A.[Antonio Jose de Almeida], Batista, E. A. C.[Eduardo Augusto Caldas], Maximo, G. J.[Guilherme Jose]
J. Chem. Eng. Data 2019, 64, 8, 3231-3243
ABSTRACT
Due to triacylglycerol (TAG) polymorphism in cocoa butter, processes conditions or storage, chocolate can present a defect called Fat Bloom, when the fat liquid fraction migrates to the chocolate surface resulting in a whitish and brittle appearance. The addition of essential oils, rich in monoterpenes, has been studied as an alternative to avoid it. Some theories have been considered to explain this phenomenon but no one elucidated what kind of thermodynamic interactions could rule such an effect. Therefore, this work was aimed at describing the solid-liquid equilibrium (SLE) behavior of monoterpenes + TAG mixtures, in order to comprehend how monoterpenes could affect the solid phase of a fat. Experimental SLE data were measured by DSC and optical microscopy and also modeled by the SLE theory. Results showed that monoterpenes could promote significant changes in the TAG crystalline habit by forming solid solutions (SS). This profile varied with the composition of TAG and monoterpene. The SS increased the initial fat melting temperature what could partially explain why such compounds improve chocolate quality, mitigating the Fat Bloom, according literature. The SLE was here a powerful tool for evaluating the effects of addictives in food formulation, which is an inspiration for future works in this field.
Compounds
# Formula Name
1 C10H20O L-menthol
2 C10H14O 3-methyl-6-isopropylphenol
3 C45H86O6 1,2,3-propanetriyl tri(tetradecanoate)
4 C51H98O6 1,2,3-propanetriyl tri(hexadecanoate)
5 C57H110O6 glycerol trioctadecanoate
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
  • Triple point temperature, K ; 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
  • DSC
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 5
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 3
  • Eutectic temperature, K ; Crystal - 1
  • Crystal - 1
  • Crystal - 3
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 9
  • POMD
  • 1
  • 4
  • Eutectic temperature, K ; Crystal - 1
  • Crystal - 1
  • Crystal - 4
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 9
  • POMD
  • 1
  • 5
  • Eutectic temperature, K ; Crystal - 1
  • Crystal - 1
  • Crystal - 5
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 9
  • POMD
  • 2
  • 4
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 4
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 8
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 1