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JOURNALS // Regular and Chaotic Dynamics // Archive

Regul. Chaotic Dyn., 2019 Volume 24, Issue 6, Pages 615–627 (Mi rcd1029)

This article is cited 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.

MSC: 37Jxx, 37J45, 37G15, 70Hxx, 70H33

Received: 14.08.2019
Accepted: 07.10.2019

Language: English

DOI: 10.1134/S1560354719060030



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