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Deresh Ramjugernath - One of the best experts on this subject based on the ideXlab platform.

  • Isothermal Vapor–Liquid Equilibrium Data for the 1,1,2,2-Tetrafluoroethene + 1,1,2,2,3,3,4,4-Octafluorocyclobutane Binary System: Measurement and Modeling from (248 to 283) K
    Journal of Chemical & Engineering Data, 2012
    Co-Authors: Francois Jacobus Conradie, Philippus L. Crouse, Xavier Courtial, Izak J. Van Der Walt, Deresh Ramjugernath
    Abstract:

    High pressure vapor–liquid equilibrium data are presented for the 1,1,2,2-Tetrafluoroethene + 1,1,2,2,3,3,4,4-octafluorocyclobutane binary system. The isothermal measurements were undertaken at (248.3, 263.0, and 282.9) K, with pressures ranging from (0.040 to 2.340) MPa. A static–analytical apparatus was used to carry out the measurements. The liquid and vapor phases were sampled at equilibrium using a movable rapid on-line sampler–injector (ROLSI). The uncertainties in the measurements are less than 0.1 K, 1.5 kPa, and 0.007 for the temperature, pressure, and equilibrium phase mole fractions, respectively. The experimental data were correlated with the Peng–Robinson equation of state incorporating the Mathias–Copeman alpha function, with the Wong–Sandler mixing rule utilizing the nonrandom two-liquid (NRTL) activity coefficient model. The model accurately describes the experimental data.

  • isothermal vapor liquid equilibrium data for the 1 1 2 2 Tetrafluoroethene 1 1 2 2 3 3 4 4 octafluorocyclobutane binary system measurement and modeling from 248 to 283 k
    Journal of Chemical & Engineering Data, 2012
    Co-Authors: Francois Jacobus Conradie, Philippus L. Crouse, Xavier Courtial, Izak J. Van Der Walt, Deresh Ramjugernath
    Abstract:

    High pressure vapor–liquid equilibrium data are presented for the 1,1,2,2-Tetrafluoroethene + 1,1,2,2,3,3,4,4-octafluorocyclobutane binary system. The isothermal measurements were undertaken at (248.3, 263.0, and 282.9) K, with pressures ranging from (0.040 to 2.340) MPa. A static–analytical apparatus was used to carry out the measurements. The liquid and vapor phases were sampled at equilibrium using a movable rapid on-line sampler–injector (ROLSI). The uncertainties in the measurements are less than 0.1 K, 1.5 kPa, and 0.007 for the temperature, pressure, and equilibrium phase mole fractions, respectively. The experimental data were correlated with the Peng–Robinson equation of state incorporating the Mathias–Copeman alpha function, with the Wong–Sandler mixing rule utilizing the nonrandom two-liquid (NRTL) activity coefficient model. The model accurately describes the experimental data.

Francois Jacobus Conradie - One of the best experts on this subject based on the ideXlab platform.

  • Isothermal Vapor–Liquid Equilibrium Data for the 1,1,2,2-Tetrafluoroethene + 1,1,2,2,3,3,4,4-Octafluorocyclobutane Binary System: Measurement and Modeling from (248 to 283) K
    Journal of Chemical & Engineering Data, 2012
    Co-Authors: Francois Jacobus Conradie, Philippus L. Crouse, Xavier Courtial, Izak J. Van Der Walt, Deresh Ramjugernath
    Abstract:

    High pressure vapor–liquid equilibrium data are presented for the 1,1,2,2-Tetrafluoroethene + 1,1,2,2,3,3,4,4-octafluorocyclobutane binary system. The isothermal measurements were undertaken at (248.3, 263.0, and 282.9) K, with pressures ranging from (0.040 to 2.340) MPa. A static–analytical apparatus was used to carry out the measurements. The liquid and vapor phases were sampled at equilibrium using a movable rapid on-line sampler–injector (ROLSI). The uncertainties in the measurements are less than 0.1 K, 1.5 kPa, and 0.007 for the temperature, pressure, and equilibrium phase mole fractions, respectively. The experimental data were correlated with the Peng–Robinson equation of state incorporating the Mathias–Copeman alpha function, with the Wong–Sandler mixing rule utilizing the nonrandom two-liquid (NRTL) activity coefficient model. The model accurately describes the experimental data.

  • isothermal vapor liquid equilibrium data for the 1 1 2 2 Tetrafluoroethene 1 1 2 2 3 3 4 4 octafluorocyclobutane binary system measurement and modeling from 248 to 283 k
    Journal of Chemical & Engineering Data, 2012
    Co-Authors: Francois Jacobus Conradie, Philippus L. Crouse, Xavier Courtial, Izak J. Van Der Walt, Deresh Ramjugernath
    Abstract:

    High pressure vapor–liquid equilibrium data are presented for the 1,1,2,2-Tetrafluoroethene + 1,1,2,2,3,3,4,4-octafluorocyclobutane binary system. The isothermal measurements were undertaken at (248.3, 263.0, and 282.9) K, with pressures ranging from (0.040 to 2.340) MPa. A static–analytical apparatus was used to carry out the measurements. The liquid and vapor phases were sampled at equilibrium using a movable rapid on-line sampler–injector (ROLSI). The uncertainties in the measurements are less than 0.1 K, 1.5 kPa, and 0.007 for the temperature, pressure, and equilibrium phase mole fractions, respectively. The experimental data were correlated with the Peng–Robinson equation of state incorporating the Mathias–Copeman alpha function, with the Wong–Sandler mixing rule utilizing the nonrandom two-liquid (NRTL) activity coefficient model. The model accurately describes the experimental data.

Dominique Richon - One of the best experts on this subject based on the ideXlab platform.

Heng-dao Quan - One of the best experts on this subject based on the ideXlab platform.

Lars Öhrström - One of the best experts on this subject based on the ideXlab platform.

  • X-ray Structures and DFT Calculations on Rhodium−Olefin Complexes: Comments on the 103Rh NMR Shift−Stability Correlation
    Organometallics, 2000
    Co-Authors: Michael Bühl, Mikael Håkansson, And Amir H. Mahmoudkhani, Lars Öhrström
    Abstract:

    The low-temperature X-ray structures of bis(eta (2)-ethene)(2,4-pentanedionato)rhodium(I) (1)- and bis(eta (2)-ethene)(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)rhodium(I) (2) were determined. Very similar Rh-ethene coordination geometries are found in the solid state, i.e., 1, Rh-C = 2.127(5) Angstrom, and 2, Rh-C = 2.121(3) Angstrom, in good accord with DFT calculations, i.e., 1, RB-C = 2.132 Angstrom and 2, Rh-C = 2.136 Angstrom. The calculated Rh-103 NMR chemical shifts (GIAO-B3LYP/II level) for a range of bis(eta (2)-alkene)(2,4-pentanedionato)rhodium(I) complexes also agree well with solution NMR data. The empirical correlation between transition-metal shifts and stability constants (Ohrstrom, L. Comm. Inorg. Chem. 1996, 18, 305) could be confirmed for simple alkenes, since the computed relative Rh-alkene binding energies were found to correlate with delta(Rh-103). I, contrast, chelating or fluorinated alkenes showed large deviations from this correlation. The steric and electronic effects on the Rh-alkene bond are discussed and analyzed in terms of Bader's atoms-in-molecules theory, which revealed qualitatively different binding modes of ethene and Tetrafluoroethene to rhodium: ethene forms typical pi -complexes in the Dewar-Chatt-Duncanson model, whereas Tetrafluoroethene complexes are on the borderline to metallacyclopropanes.