ABSTRACT

The aim of this work is to report phase equilibrium data for the binary systems (CO2 + a-humulene) and (CO2 + trans-caryophyllene), and for the ternary system (CO2 + a-humulene + trans-caryophyllene). Results from literature show that a-humulene and trans-caryophyllene are the main compounds responsible for the anti-inflammatory and anti-allergic characteristics attributed to the medicinal plant Cordia verbenacea D.C., hence giving importance to the phase behaviour investigation performed in this work. Phase equilibrium experiments were performed in a high-pressure, variable-volume view cell over the temperature range of T = (303 to 343) K and pressures up to 20 MPa. (Liquid + liquid) and (vapour + liquid + liquid) equilibrium were observed at T = 303 K, while (vapour + liquid) phase transitions were verified to occur from T = (313 to 343) K, for all systems studied. Thermodynamic modelling was performed using the Peng Robinson equation of state and the classical quadratic mixing rules, with a satisfactory agreement between experimental and calculated values.

Compounds

#	Formula	Name
1	C15H24	(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
2	C15H24	[1R-(1R,4E,9S)]-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]-4-undecene
3	CO2	carbon dioxide

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	3 1	Vapor or sublimation pressure, kPa ; Liquid mixture 1		Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2 Gas	Closed cell (Static) method	7
POMD	3 1	Vapor or sublimation pressure, kPa ; Liquid mixture 1	Mole fraction - 3; Liquid mixture 1	Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Closed cell (Static) method	7
POMD	3 1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid		Liquid Gas	Closed cell (Static) method	63
POMD	2 3	Vapor or sublimation pressure, kPa ; Liquid mixture 1		Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2 Gas	Closed cell (Static) method	10
POMD	2 3	Vapor or sublimation pressure, kPa ; Liquid mixture 1	Mole fraction - 3; Liquid mixture 1	Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Closed cell (Static) method	10
POMD	2 3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid		Liquid Gas	Closed cell (Static) method	65
POMD	2 3 1	Vapor or sublimation pressure, kPa ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Solvent: Mass ratio of component to other component of binary solvent - 2; Liquid mixture 1	Liquid mixture 1 Gas Liquid mixture 2	Closed cell (Static) method	4
POMD	2 3 1	Vapor or sublimation pressure, kPa ; Liquid mixture 1	Mole fraction - 3; Liquid mixture 1	Temperature, K; Liquid mixture 1 Solvent: Mass ratio of component to other component of binary solvent - 2; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Closed cell (Static) method	4
POMD	2 3 1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Solvent: Mass ratio of component to other component of binary solvent - 2; Liquid	Liquid Gas	Closed cell (Static) method	16

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

High-pressure phase equilibrium data for systems with carbon dioxide, alpha-humulene and trans-caryophyllene

Michielin, E. M. Z.[Eliane M.Z.], Rosso, S. R.[Sibele R.], Franceschi, E.[Elton], Borges, G. R.[Gustavo R.], Corazza, M. L.[Marcos L.], Oliveira, J. V.[J Vladimir], Ferreira, S. R. S.[Sandra R.S.]

ABSTRACT