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The Computer Simulation of Ionic Liquids

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Ionic Liquids

Abstract

Every respectable branch of science is based on a carefully woven mixture of theory and experiment, of hypothesis and observation. Great steps are made when new ideas suggest new experiments and new observations require new concepts. That this happy marriage does not exist for liquids or solutions is plainly evident in the petering out of attempts to improve on any of the classically correct theories of Born, Debye, Hückel, Bjerrum, and Onsager. All such theories invoke concepts of charged hard spheres embedded in a structureless dielectric interacting through a simple Coulomb potential. All attempts to recognize the “graininess” of the problem, i.e., the molecular composition and structure of the system, rapidly degenerate into hand-waving assertions of hydration numbers, field-dependent dielectric constants, solvent-separated ion pairs, etc.

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© 1981 Springer Science+Business Media New York

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Adams, D., Hills, G. (1981). The Computer Simulation of Ionic Liquids. In: Inman, D., Lovering, D.G. (eds) Ionic Liquids. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0920-9_4

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  • DOI: https://doi.org/10.1007/978-1-4757-0920-9_4

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4757-0922-3

  • Online ISBN: 978-1-4757-0920-9

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