Clare M. McCabe

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http://frontweb.vuse.vanderbilt.edu/vuse_web/test/directory/facultybio.asp?FacultyID=22271

Articles in Scholarly Journals [Incomplete List]

  1. Predicting the phase equilibria of petroleum fluids with the SAFT-VR approach
    AIChE Journal, vol. 53, no. 3, pp. 720–731, 2007
  2. Interactions of the complete cellobiohydrolase I from Trichodera reesei with microcrystalline cellulose Iß
    Cellulose, vol. 15, no. 2, pp. 261–273, 2007
  3. Liquid Mixtures of Xenon with Fluorinated Species: Xenon + Sulfur Hexafluoride
    Journal of Physical Chemistry B, vol. 111, no. 19, pp. 5284–5289, 2007
  4. Ab Initio Analysis of the Structural Properties of Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes
    Journal of Physical Chemistry A, vol. 0, no. 0, pp. 0–0, 2007
  5. Aggregation of POSS Monomers in Liquid Hexane: A Molecular-Simulation Study
    Journal of Physical Chemistry B, vol. 111, no. 42, pp. 12248–12256, 2007
  6. Solution Behavior of Perfluoroalkanes and Perfluoroalkylalkane Surfactants in n-Octane
    Journal of Physical Chemistry C, vol. 111, no. 43, pp. 15962–15968, 2007
  7. Liquid Phase Behavior of Perfluoroalkylalkane Surfactants
    Journal of Physical Chemistry B, vol. 111, no. 11, pp. 2856–2863, 2007
  8. Predicting adsorption isotherms using a two-dimensional statistical associating fluid theory
    The Journal of Chemical Physics, vol. 126, no. 7, p. 074707, 2007
  9. Development of an equation of state for electrolyte solutions by combining the statistical associating fluid theory and the mean spherical approximation for the nonprimitive model
    The Journal of Chemical Physics, vol. 126, no. 24, p. 244503, 2007
  10. Coarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solution
    The Journal of Chemical Physics, vol. 127, no. 11, p. 114102, 2007
  11. Phase behavior of dipolar associating fluids from the SAFT-VR+D equation of state
    The Journal of Chemical Physics, vol. 127, no. 8, p. 084514, 2007
  12. Third Foundations of Molecular Modeling and Simulation Conference FOMMS 2006
    Molecular Simulation, vol. 33, no. 4, pp. 277–277, 2007
  13. On the thermodynamics of diblock chain fluids from simulation and heteronuclear statistical associating fluid theory for potentials of variable range
    Molecular Physics, vol. 104, no. 4, pp. 571–586, 2006
  14. Phase behavior of dipolar fluids from a modified statistical associating fluid theory for potentials of variable range
    The Journal of Chemical Physics, vol. 125, no. 10, p. 104504, 2006
  15. Organic-inorganic telechelic molecules: Solution properties from simulations
    The Journal of Chemical Physics, vol. 125, no. 10, p. 104904, 2006
  16. Prediction of viscosity for molecular fluids at experimentally accessible shear rates using the transient time correlation function formalism
    The Journal of Chemical Physics, vol. 125, no. 19, p. 194527, 2006
  17. Journal of Physical Chemistry B, vol. 110, no. 47, pp. 24083–24092, 2006
  18. The Journal of Physical Chemistry B, vol. 110, no. 6, pp. 2502–2510, 2006
  19. The Journal of Physical Chemistry B, vol. 109, no. 18, pp. 9047–9058, 2005
  20. The Journal of Physical Chemistry B, vol. 109, no. 30, pp. 14300–14307, 2005
  21. Modelling the phase behaviour and excess properties of alkane + perfluoroalkane binary mixtures with the SAFT–VR approach
    Fluid Phase Equilibria, vol. 228-229, pp. 389–393, 2005
  22. Application of SAFT–VRX to binary phase behaviour: alkanes
    Fluid Phase Equilibria, vol. 228-229, pp. 275–282, 2005
  23. Macromolecules, vol. 38, no. 21, pp. 8950–8959, 2005
  24. First determination of the dynamical mass of a binary L dwarf
    Astronomy and Astrophysics, vol. 423, no. 1, pp. 341–352, 2004
  25. A study of mechanical shear bands in liquids at high pressure
    Tribology International, vol. 37, no. 10, pp. 783–789, 2004
  26. A crossover SAFT-VR equation of state for pure fluids: preliminary results for light hydrocarbons
    Fluid Phase Equilibria, vol. 219, no. 1, pp. 3–9, 2004
  27. Square-well chain molecules: a semi-empirical equation of state and Monte Carlo simulation data
    Fluid Phase Equilibria, vol. 221, no. 1-2, pp. 63–72, 2004
  28. The Journal of Physical Chemistry B, vol. 108, no. 22, pp. 7377–7381, 2004
  29. Equation of state and liquid-vapor equilibria of one- and two-Yukawa hard-sphere chain fluids: Theory and simulation
    The Journal of Chemical Physics, vol. 121, no. 16, p. 8128, 2004
  30. A Multiwavelength Scattered Light Analysis of the Dust Grain Population in the GG Tauri Circumbinary Ring
    The Astrophysical Journal, vol. 606, no. 2, pp. 969–982, 2004
  31. The oscillatory damped behaviour of incommensurate double-walled carbon nanotubes
    Nanotechnology, vol. 16, no. 2, pp. 186–198, 2004
  32. Multiscale Simulation of the Synthesis, Assembly and Properties of Nanostructured Organic/Inorganic Hybrid Materials
    Journal of Computational and Theoretical Nanoscience, vol. 1, no. 3, pp. 265–279, 2004
  33. Molecular simulations of liquid-liquid interfacial properties: Water–n-alkane and water-methanol–n-alkane systems
    Physical Review E, vol. 67, no. 1, 2003
  34. On the development of a general force field for the molecular simulation of perfluoroethers
    Molecular Physics, vol. 101, no. 14, pp. 2157–2169, 2003
  35. Coexistence Densities of Methane and Propane by Canonical Molecular Dynamics and Gibbs Ensemble Monte Carlo Simulations
    Molecular Simulation, vol. 29, no. 6-7, pp. 463–470, 2003
  36. No Fossil Disk in the T Tauri Multiple System V773 Tauri
    The Astrophysical Journal, vol. 592, no. 1, pp. 288–298, 2003
  37. The First Detection of Spatially Resolved Mid-Infrared Scattered Light from a Protoplanetary Disk
    The Astrophysical Journal, vol. 588, no. 2, pp. L113–L116, 2003
  38. Molecular dynamics study of the nano-rheology of n-dodecane confined between planar surfaces
    The Journal of Chemical Physics, vol. 118, no. 19, p. 8941, 2003
  39. Liquid–vapour equilibrium of ?xBF3 + (1 - x)n-butane? at 195.49 K
    Fluid Phase Equilibria, vol. 205, no. 1, pp. 163–170, 2003
  40. Transport Properties of Perfluoroalkanes Using Molecular Dynamics Simulation: Comparison of United- and Explicit-Atom Models
    Industrial & Engineering Chemistry Research, vol. 42, no. 26, pp. 6956–6961, 2003
  41. The Journal of Physical Chemistry B, vol. 107, no. 44, pp. 12307–12314, 2003
  42. Nano Letters, vol. 3, no. 8, pp. 1001–1005, 2003
  43. Nano Letters, vol. 2, no. 12, pp. 1427–1431, 2002
  44. Is xenon an “ennobled” alkane?Presented at the Bunsen Discussion on Global Phase Diagrams, Walberberg, Germany, 19–22 August, 2001.
    Physical Chemistry Chemical Physics, vol. 4, no. 9, pp. 1618–1621, 2002
  45. Thermodynamic properties of freely-jointed hard-sphere multi-Yukawa chain fluids: theory and simulation
    Fluid Phase Equilibria, vol. 194-197, no. 1, pp. 185–196, 2002
  46. Predicting the Newtonian viscosity of complex fluids from high strain rate molecular simulations
    The Journal of Chemical Physics, vol. 116, no. 8, p. 3339, 2002
  47. Development of a force field for molecular simulation of the phase equilibria of perfluoromethylpropyl ether
    Molecular Physics, vol. 100, no. 2, pp. 265–272, 2002
  48. Structural and thermodynamic properties of a multicomponent freely jointed hard sphere multi-Yukawa chain fluid
    Molecular Physics, vol. 100, no. 15, pp. 2499–2517, 2002
  49. Predicting the solubility of xenon in n-hexane and n-perfluorohexane: a simulation and theoretical study
    Molecular Physics, vol. 100, no. 15, pp. 2547–2553, 2002
  50. Resolved Near-Infrared Spectroscopy of the Mysterious Pre–Main-Sequence Binary System T Tauri S
    The Astrophysical Journal, vol. 568, no. 2, pp. 771–778, 2002
  51. NICMOS Images of the GG Tauri Circumbinary Disk
    The Astrophysical Journal, vol. 575, no. 2, pp. 974–988, 2002
  52. Characterizing the viscosity–temperature dependence of lubricants by molecular simulation
    Fluid Phase Equilibria, vol. 183-184, no. 1-2, pp. 363–370, 2001
  53. On the liquid mixtures of xenon, alkanes and perfluorinated compounds
    Physical Chemistry Chemical Physics, vol. 3, no. 14, pp. 2852–2855, 2001
  54. Examining the rheology of 9-octylheptadecane to giga-pascal pressures
    The Journal of Chemical Physics, vol. 114, no. 4, p. 1887, 2001
  55. The Journal of Physical Chemistry B, vol. 104, no. 6, pp. 1315–1321, 2000
  56. The Journal of Physical Chemistry B, vol. 104, no. 6, pp. 1322–1325, 2000
  57. SAFT-VR modelling of the phase equilibrium of long-chain n-alkanes
    Physical Chemistry Chemical Physics, vol. 1, no. 9, pp. 2057–2064, 1999
  58. Gibbs ensemble computer simulation and SAFT-VR theory of non-conformal square-well monomer–dimer mixtures
    Chemical Physics Letters, vol. 303, no. 1-2, pp. 27–36, 1999
  59. The Journal of Physical Chemistry B, vol. 102, no. 21, pp. 4183–4188, 1998
  60. The Journal of Physical Chemistry B, vol. 102, no. 41, pp. 8060–8069, 1998