Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

High-pressure phase equilibria for chlorosilane + carbon dioxide mixtures

Vyhmeister, E.[Eduardo], Muscat, A. J.[Anthony J.], Estevez, L. A.
Fluid Phase Equilib. 2008, 270, 1-2, 121-128
ABSTRACT
Fluid-phase equilibria, including dew points, bubble points, and critical points were measured for four binary systems composed of a chlorosilane and carbon dioxide. The measurements were carried out in a constant-composition, variable-volume cell equipped with a sapphire window, which allowed visual observation of the phases in the cell. A syringe pumpwas used to inject the CO2 into the cell and to control its pressure. Methyltrichlorosilane, dimethyldichlorosilane, trimethylchlorosilane, and diethyldichlorosilane up to about 0.14 mol fractionwere studied in this apparatus and a total of 243 phase-boundary points were obtained. Displacements in the critical point with respect to pure CO2 of up to 11.81MPa and 348.05K were observed. Modeling of the fluid-phase equilibria for three of the four binary systemswas done using the Peng Robinson equation of state, standard van der Waals mixing rules with two binary interaction parameters, and a formulation of the equilibrium. The binary interaction parameterswere obtained by fitting the model to the experimental data. The model produced excellent agreement between computed and experimental data. Graphical representations of the modeling results are presented and compared to experimental results. The results indicate that the largest chlorosilane (diethyldichlorosilane) produced the largest shift in critical pressure and critical temperature with respect to pure CO2.
Compounds
# Formula Name
1 C3H9ClSi chlorotrimethylsilane
2 C2H6Cl2Si dichlorodimethylsilane
3 CH3Cl3Si trichloromethylsilane
4 C4H10Cl2Si dichlorodiethylsilane
5 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
  • 1
  • 5
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • DIRECT:UFactor:96
  • 6
  • POMD
  • 1
  • 5
  • Critical temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Visual observation in an unstirred cell
  • 6
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • CCELL:UFactor:8
  • 1
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 36
  • POMD
  • 2
  • 5
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • DIRECT:UFactor:96
  • 8
  • POMD
  • 2
  • 5
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Visual observation in an unstirred cell
  • 8
  • POMD
  • 2
  • 5
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 2; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • CCELL:UFactor:8
  • 16
  • POMD
  • 2
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 62
  • POMD
  • 3
  • 5
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • DIRECT:UFactor:96
  • 6
  • POMD
  • 3
  • 5
  • Critical temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Visual observation in an unstirred cell
  • 6
  • POMD
  • 3
  • 5
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 3; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • CCELL:UFactor:8
  • 3
  • POMD
  • 3
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 35
  • POMD
  • 5
  • 4
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • DIRECT:UFactor:96
  • 9
  • POMD
  • 5
  • 4
  • Critical temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Visual observation in an unstirred cell
  • 9
  • POMD
  • 5
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • CCELL:UFactor:8
  • 5
  • POMD
  • 5
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 56