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Molecular Dynamics Computer Simulations of Charged Metal Electrode-Aqueous Electrolyte Interfaces

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Book cover Theoretical and Computational Approaches to Interface Phenomena

Abstract

When two different substances are joined material flows across the interface (sometimes almost imperceptibly) until the chemical potentials of the component species are equalized. When the sustances are solid or liquid and some of the chemical species are charged then the interface developes a net electrical polarization due to the formation of an electric double layer. The existence of electric double layers was first recognized by von Helmholtz1 who studied them in the last century. In many chemical and biological systems the electric double layer exerts a profound effect on function. For example in aqueous electrolyte solution the electric field of a charged object (electrode surface or an ion) is completely shielded by the movement of ions of opposite sign toward the surface until charge balance is achieved. The distribution of ions around charged objects is described simply by the classical theories of Gouy2–4 and Chapman5 for flat surfaces and by the theory of Debye and Hückel6 for spherical ions.

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Author information

Authors and Affiliations

  1. IBM Almaden Research Center, 650 Harry Road, San Jose, CA, 95120-6099, USA

    Michael R. Philpott & James N. Gloslit

  2. Lawrence Livermore National Laboratory, Livermore, CA, 94550, USA

    James N. Gloslit

Authors
  1. Michael R. Philpott
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  2. James N. Gloslit
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Editor information

Editors and Affiliations

  1. South Dakota State University, Brookings, South Dakota, USA

    Harrell Lee Sellers

  2. Amoco Research Center, Naperville, Illinois, USA

    Joseph Thomas Golab

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© 1994 Springer Science+Business Media New York

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Philpott, M.R., Gloslit, J.N. (1994). Molecular Dynamics Computer Simulations of Charged Metal Electrode-Aqueous Electrolyte Interfaces. In: Sellers, H.L., Golab, J.T. (eds) Theoretical and Computational Approaches to Interface Phenomena. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-1319-7_4

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  • DOI: https://doi.org/10.1007/978-1-4899-1319-7_4

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4899-1321-0

  • Online ISBN: 978-1-4899-1319-7

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