A General Treatment of Polar-Polarizable Systems for An Equation of State

Monday, November 8, 2010
Hall 1 (Salt Palace Convention Center)
Nayef M. Al-Saifi, Chemical and Biological Engineering, The university of British Columbia, Vancouver, BC, Canada, G. N. Patey, Department of Chemistry, The university of British Columbia, Vancouver, BC, Canada and Peter Englezos, The university of British Columbia, Vancouver, BC, Canada

Polar molecules exhibit many-body induced polarization interactions which have an important effect on fluid phase behaviour. The purpose of this present work is to present a general treatment of polar-polarizable systems for equations of state for non-spherical molecules by the use of the self consistent mean field theory. The approach accounts for dipole, quadrupole and octupole interactions of polarizable systems. The theory is tested against simulation data and is applied to the statistical association fluid theory.

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