Dynamic equivalence between soft- and hard-core Brownian fluids

F. de J. Guevara-Rodríguez and Magdaleno Medina-Noyola
Phys. Rev. E 68, 011405 – Published 21 July 2003
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Abstract

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/σ). 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 ν, 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.

  • Received 18 December 2002

DOI:https://doi.org/10.1103/PhysRevE.68.011405

©2003 American Physical Society

Authors & Affiliations

F. de J. Guevara-Rodríguez* and Magdaleno Medina-Noyola

  • Instituto Mexicano del Petróleo, Programa de Ingeniería Molecular, Eje Central Lázaro Cárdenas 152, 07730 México, Distrito Federal, Mexico

  • *Electronic address: fguevara@imp.mx
  • Permanent address: Instituto de Física “Manuel Sandoval Vallarta,” Universidad Autónoma de San Luis Potosí, Álvaro Obregón 64, 78000 San Luis Potosí, San Luis Potosí, Mexico. Electronic address: medina@ifisica.uaslp.mx

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Vol. 68, Iss. 1 — July 2003

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