ABSTRACT

Monte Carlo methods offer a useful alternative to Molecular Dynamics techniques for the study of the equilibrium structure and properties, including phase behavior, of complex fluids. This is especially true of systems that exhibit a broad spectrum of characteristic relaxation times; in such systems, the computational demands required to generate a long trajectory using Molecular Dynamics methods can be prohibitively large. In a fluid consisting of long chain molecules, for example, Monte Carlo techniques can now be used with confidence to determine thermodynamic properties, provided appropriate techniques are employed.