The effect of inter- and intra-molecular interactions for the equation of state of the hard-sphere chain fluid

Abstract

We present new equations of state for hard-chain fluids by employing the modified pair correlation function for hard-chain molecules at a contact diameter g(σ), which includes both inter- and intra-molecular interactions. The compressibility factor values determined using the modified pair correlation function are close to those predicted by the SAFT-D1 and SAFT-D2 theories and are in good agreement with Monte Carlo (MC) simulation data. It has also been seen that the intra-molecular interaction plays a dominating role at higher chain length and low density.

Keywords:

• inter-molecular interaction
• intra-molecular interaction
• equation of state
• SAFT

Acknowledgements

K.B. Kushwaha is thankful to CSIR (New Delhi) for their financial assistance.