Heat capacities of two-centre Lennard-Jones fluids from NpT ensemble MonteCarlo 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 predi cted. The simulation results are compared to the corresponding caloric prop erties calculated from the recently given equation of state by M. Mecke, A. Muller, 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. (C) 1999 Elsevier Science B.V. All rights reserved.