Volume-Explicit Equation of State for Square-Well Monomers and Chains
Saidu M. Waziri1, Nasir M. Tukur1 and Esam Z. Hamad2, (1)King Fahd University of Petroleum and Minerals, Chemical Engineering Dept, Dhahran, 31261, Saudi Arabia, (2)Research & Development Center, Saudi Aramco, Dhahran, Saudi Arabia

A new volume-explicit equation of state for the compressibility factor of square-well monomers is developed based on a hard-sphere equation of state, a coordination number model and available computer simulations data. The equation is simple and it gives the correct second virial coefficient of square-well monomers. Without applying any adjustable parameter, an accurate and simple representation of mixtures of square-well monomers is obtained by extending the pure equation of state using conventional mixing rules. The mixture equation of state was found to give predictions of compressibility factors of square-well mixtures that are in good agreement with available computer simulation data. We also derived a volume explicit equation of state for square-well chain molecules by using Wertheim's first order thermodynamic pertubation theory. Comparison with simulation data shows that the chain equation gives satisfactory representation of compressibility factor of square-well chain molecules.

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Thermodynamics and Transport Properties (Posters)

The Preliminary Program for 2006 Annual Meeting