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Renormalized equilibria of a Schlögl model lattice gas

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Abstract

A lattice gas model for Schlögl's second chemical reaction is described and analyzed. Because the lattice gas does not obey a semi-detailed-balance condition, the equilibria are non-Gibbsian. In spite of this, a self-consistent set of equations for the exact homogeneous equilibria are described, using a generalized cluster-expansion scheme. These equations are solved in the two-particle BBGKY approximation, and the results are compared to numerical experiment. It is found that this approximation describes the equilibria far more accurately than the Boltzmann approximation. It is also found, however, that it can give rise to spurious solutions to the equilibrium equations.

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Authors and Affiliations

  1. Center for Computational Science, Boston University, 02215, Boston, Massachusetts

    Bruce M. Boghosian

  2. Center for Theoretical Physics, Laboratory for Nuclear Science and Department of Physics, Massachusetts Institute of Technology, 02139, Cambridge, Massachusetts

    Washington Taylor

Authors
  1. Bruce M. Boghosian
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  2. Washington Taylor
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Boghosian, B.M., Taylor, W. Renormalized equilibria of a Schlögl model lattice gas. J Stat Phys 81, 295–317 (1995). https://doi.org/10.1007/BF02179980

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  • DOI: https://doi.org/10.1007/BF02179980

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