Nasir M. Tukur1, Saidu M. Waziri1, 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 simple equation of state (EOS) for Lennard-Jones fluid and chains has been derived in the isothermal-isobaric ensemble resulting in a volume explicit EOS. The accuracy of the equation is tested against simulation data for the fluid and Lennard-Jones chains containing up to 100 Lennard-Jones segments. The equation reproduces the compressibility factor with a reasonable degree of accuracy. The equation has the potential of forming the backbone of an equation of state for real chain molecules and polymers.
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