321bc 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.