Thermodynamics of systems with different geometric constraints and intermolecular correlations.
Four types of systems with different degrees of geometric constraint and intermolecular correlations were studied to determine the differences in their thermodynamics. The average configurational internal energies of these systems were calculated using Monte Carlo simulations, and the results are compared at the same temperatures and constant average bulk density. From the energy profiles for the four systems, the effects of geometry and intermolecular correlations on the systems' phase behavior are discussed. It was observed that indirect intermolecular correlations, rather than geometric constraints, are the key to achieving a first-order phase transition.
Chen
Y
Y
Department of Chemical and Biomolecular Engineering, The Johns Hopkins University, Baltimore, MD 21218, USA.
Kilburg
R R
RR
Donohue
M D
MD