Abstract
In this study, we have constructed a new intermolecular potential function of hydrogen and that of oxygen for an evaluation of those thermophysical properties in some typical liquid rocket engines. The intermolecular potential energies were estimated ab-initio using Molecular Orbital (MO) calculations, and the energies were represented by a spherical harmonic expansion. In this paper, the constructed potential function has been examined through a comparison of Pressure-Volume-Temperature relationship of hydrogen and that of oxygen, using Monte Carlo (MC) simulations.
