Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase behaviour of the two binary systems formed by CO2 and the silane precursors N-[3-(trimethoxysilyl)propyl]aniline or (3-mercaptopropyl)trimethoxysilane

Sanchez-Vicente, Y.[Yolanda], Alonso-Pastor, O.[Oscar], Pando, C.[Concepcion], Cabanas, A.[Albertina]
J. Chem. Thermodyn. 2016, 103, 152-156
ABSTRACT
High-pressure phase behaviour data are reported for the binary systems CO2 + N-[3-(trimethoxysilyl)pro pyl]aniline (TMSPA) and CO2 + (3-mercaptopropyl)trimethoxysilane (MPTS). The organosilanes TMSPA and MPTS are employed to functionalise with the amino and mercapto groups, respectively, the surface of inorganic materials using supercritical CO2 as a solvent and reaction medium. The measurements were conducted in a high-pressure variable volume view cell at T = 313.2, 323.2, and 333.2 K and pressures up to p = 25.0 MPa. The CO2 mole fraction in the binary mixture was varied from 0.40 to 1.0. For both silanes, the immiscibility region enlarges as the temperature rises. For a given pressure and temperature MPTS is considerably more soluble in CO2 than TMSPA. For instance, if a temperature of 313.2 K is chosen a pressure of 8.7 MPa will suffice to assure the solubilisation of MPTS in the whole mole fraction range whereas a pressure of 21.0 MPa will be necessary for the solubilisation of TMSPA. The Peng-Robinson equation of state was used to correlate the phase equilibrium data.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C12H21NO3Si N-(3-(trimethoxysilyl)propyl)aniline
3 C6H16O3SSi 3-trimethoxysilylpropane-1-thiol
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
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 28
  • POMD
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 1; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 32
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 42
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 1; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 20