Heat capacities of two-centre Lennard–Jones fluids from NpT ensemble Monte Carlo simulations

Isobaric and saturation heat capacities of two-centre Lennard–Jones fluids are studied at different elongations as the functions of temperature. Using the NpT ensemble Monte Carlo simulation method, new caloric data are predicted. The simulation results are compared to the corresponding caloric properties calculated from the recently given equation of state by M. Mecke, A. Müller, J. Winkelmann and J. Fischer of the two-centre Lennard–Jones fluid. The comparison shows that heat capacities can provide useful information for the construction of equations of state.