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Non Equilibrium Chemical Reactions: The Molecular Dynamics Approach

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Microscopic Simulations of Complex Flows

Part of the book series: NATO ASI Series ((NSSB,volume 236))

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Abstract

Chemical reactions kept far from equilibrium by a constant feed of fresh reactants can exhibit various fascinating self-organization phenomena such as multiple steady states, periodic or chaotic oscillations, or spatial structures [1–5]. Although most of these phenomena are well understood by the sole use of deterministic nonlinear kinetic laws in the frame of general bifurcation theory, local fluctuations sometimes play a major role, in particular when metastable non-equilibrium states are involved (see for example the paper by F.Baras in this volume). Unfortunately, experimental probes of this local fluctuation behaviour are practically out of reach so that numerical simulation techniques are often preferred.

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© 1990 Plenum Press, New York

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Boissonade, J. (1990). Non Equilibrium Chemical Reactions: The Molecular Dynamics Approach. In: Mareschal, M. (eds) Microscopic Simulations of Complex Flows. NATO ASI Series, vol 236. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-1339-7_26

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  • DOI: https://doi.org/10.1007/978-1-4684-1339-7_26

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-1341-0

  • Online ISBN: 978-1-4684-1339-7

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