Dynamic equivalence between soft- and hard-core Brownian fluids.
In this work, we demonstrate the dynamic equivalence between the members of the family of Brownian fluids whose particles interact through strongly repulsive radially symmetric soft-core potentials. We specifically consider pair potentials proportional to inverse powers of (r/sigma). This equivalence is the dynamic extension of the static equivalence between all these pair potentials and the hard-sphere fluid, assumed in the treatment of soft-core reference potentials in the classical (Weeks-Chandler-Andersen or Barker-Henderson) perturbation theories of simple liquids. In contrast with the strict hard-sphere Brownian system, in the case of soft-sphere potentials the conventional Brownian dynamics algorithm is indeed well defined. We find that, except for small values of nu, and/or very short times, the dynamic properties of all these systems collapse into a single universal curve, upon a well-defined rescaling of the time and distance variables. This family of systems includes the hard-sphere limit. This observation permits a conceptually simple, new, and accurate Brownian dynamics algorithm to simulate the dynamic properties of the hard-sphere model dispersion without hydrodynamic interactions. Such an algorithm consists of the straightforward rescaling of the Brownian-dynamics simulated properties of any of the dynamically equivalent soft-sphere systems.
Guevara-Rodríguez
F de J
Fde J
Instituto Mexicano del Petróleo, Programa de Ingeniería Molecular, Eje Central Lázaro Cárdenas 152, 07730 México, Distrito Federal, Mexico. fguevara@imp.mx
Medina-Noyola
Magdaleno
M