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This article is cited in 8 scientific papers (total in 8 papers)
Roaming at Constant Kinetic Energy: Chesnavich's Model and the Hamiltonian Isokinetic Thermostat
Vladimír Krajnáka, Gregory S. Ezrab, Stephen Wigginsa a School of Mathematics, University of Bristol,
Bristol, BS8 1TW, United Kingdom
b Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University,
Ithaca, NY 14853, USA
Abstract:
We consider the roaming mechanism for chemical reactions under the nonholonomic constraint of constant kinetic energy. Our study is carried out in the context of the Hamiltonian isokinetic thermostat applied to Chesnavich’s model for an ion-molecule reaction. Through an analysis of phase space structures we show that imposing the nonholonomic constraint does not prevent the system from exhibiting roaming dynamics, and that the origin of the roaming mechanism turns out to be analogous to that found in the previously studied Hamiltonian case.
Keywords:
nonholonomic constraint, phase space structures, invariant manifolds, chemical reaction, roaming.
Received: 14.08.2019 Accepted: 07.10.2019
Citation:
Vladimír Krajnák, Gregory S. Ezra, Stephen Wiggins, “Roaming at Constant Kinetic Energy: Chesnavich's Model and the Hamiltonian Isokinetic Thermostat”, Regul. Chaotic Dyn., 24:6 (2019), 615–627
Linking options:
https://www.mathnet.ru/eng/rcd1029 https://www.mathnet.ru/eng/rcd/v24/i6/p615
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