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John O'Connell
Harry Douglas Forsyth Professor

Ph.D. University of California, Berkeley (1967)
M.S. MIT (1962)
B.S. ChE. MIT (1961)
B.A. Pomona College (1961)

(434) 924-3428
jpo2x@virginia.edu

Selected Publications
Honors and Awards
  • ConocoPhillips Lecturer, Oklahoma State University (2007)
  • Member of Championship Team, 3rd International Industrial Fluid Properties Simulation Challenge (IFPSC) (2006)
  • Mac Wade Service Award, University of Virginia (2006)
  • Gulbenkian Fellow, Instituto Superior Tecnico, Lisbon, Portugal (2003)
  • Erskine Fellow, University of Canterbury, New Zealand (2003)
  • Editor, Fluid Phase Equilibria (2004-)
  • W.H. Corcoran Award of Chemical Engineering Education, Best Paper (1993, 1994)
Research Interests

Research programs in collaboration with other groups, involving applied molecular theory as well as process and molecular simulation and modeling, to address:

  1. Development and analysis of correlations and predictive models for thermophysical properties of fluids for chemical process design, including pharmaceuticals, ionic liquids, and for processes such as carbon capture and thermochemical water decomposition for hydrogen production.

  2. Thermodynamic modeling and computer simulations for structure and properties relevant to protein separations with a focus on hydrophobic chromatography.

Selected Publications

Poling, B., Prausnitz, J.M., and O'Connell, J.P., "Properties of Gases and Liquids, 5th Ed.", McGraw-Hill Book Company, 2001. ISBN 0-07-011682-2. (Errata at http://www.che.virginia.edu/PGL5)

O'Connell, J.P., Haile, J.M., "Thermodynamics: Fundamentals for Applications", Cambridge University Press, 2005. ISBN 0-521-58206-7. (Errata at http://www.cambridge.org)

O'Connell, J.P., "History of AIChE Awards and Fellows", To be published in AIChE Centennial Book, 2008.

O'Connell, J.P., Gani, R., Mathias, P.M., Maurer, G., Olson, J.D., Crafts, P.A.
"Thermodynamic Property Modeling for Chemical Process and Product Engineering: Some Perspectives," Industrial & Engineering Chemical Research., 2009, 48(10), 4619-4637.

O'Connell, J.P., Narkprasert, P., Gorensek, M.B. "Process model-free analysis for thermodynamic efficiencies of sulfur–iodine processes for thermochemical water decomposition", International Journal of Hydrogen Energy, 2009, 34(9), 4033–4040.

Deitcher, R.W., O'Connell, J.P., Fernandez, E.J. "Changes in solvent exposure reveal the kinetics and equilibria of adsorbed protein unfolding in hydrophobic interaction chromatography", Journal of Chromatography A, 2010, 1217 (35), 5571-5583.

Wedberg, R., O'Connell, J.P., Peters, G.H., Abildskov, J. "Accurate Kirkwood-Buff integrals from molecular simulations", Molecular Simulation, 2010, 36 (15), 1243-1252.

Abildskov, J., Ellegaard, M.D., O'Connell, J.P. "Phase behavior of mixtures of ionic liquids and organic solvents", Journal of Supercritical Fluids, 2010, 55 (2), 833-845.

Mathias, P.M., Reddy, S., O'Connell, J.P. "Quantitative evaluation of the chilled-ammonia process for CO2 capture using thermodynamic analysis and process simulation", International Journal of Greenhouse Gas Control, 2010, 4 (2), 174-179.

Murphy, J.E., O'Connell, J.P. "A properties model of the HI-I2-H2O-H2 system in the sulfur-iodine cycle for hydrogen manufacture", Fluid Phase Equilibria, 2010, 288 (1-2), 99-110. "Corrigendum": Fluid Phase Equilibria, 2010, 293 (2), 266.

Abildskov, J., O'Connell, J.P. "Molecular thermodynamic modeling and design of microencapsulation systems for drug delivery", Journal of Chemical and Engineering Data, 2011, 56 (4), 1229-1237.

Gospodarek, A.M., Smatlak, M.E., O'Connell, J.P., Fernandez, E.J. "Protein stability and structure in HIC: Hydrogen exchange experiments and COREX calculations", Langmuir 2011, 27 (1), 286-295.

Ellegaard, M.D., Abildskov, J., O'Connell, J.P. "Solubilities of gases in ionic liquids using a corresponding-states approach to Kirkwood-Buff solution theory", Fluid Phase Equilibria 2011, 302 (1-2), 93-102.

Wedberg, R., O'Connell, J.P., Peters, G.H., Abildskov, J. "Total and direct correlation function integrals from molecular simulation of binary systems", Fluid Phase Equilibria 2011, 302 (1-2), 32-42.

Hur, J., O'Connell, J.P., Bae, K.-K., Kang, K.-S., Kang, J.W. " Measurements and correlation of solid-liquid equilibria of the HI + I2 + H2O system", International Journal of Hydrogen Energy, 2011, 36 (14), 8187-8191.

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