MOLECULAR-THERMODYNAMIC REFERENCE EQUATIONS OF STATE

The concept of molecular-thermodynamic reference equations of state (MTREOS) for developing a molecular-based equation of state is introduced. A MTREOS may refer to an artificial ''system'' and must therefore be distinguished from the system defined by a reference intermolecular potential u0. Possible MTREOS for various classes of fluids are discussed. The concept is then exemplified by investigating the Lennard-Jones fluid. Two different examples of a MTREOS, given by the hard sphere and molecular-based correction terms, are defined and assessed, and a closed analytical expression for the reference system pressure is derived.