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Roaming at Constant Kinetic Energy: Chesnavich's Model and the Hamiltonian Isokinetic Thermostat

Research output: Contribution to journalArticle

Original languageEnglish
JournalRegular and Chaotic Dynamics
Volume24
Issue number6
DOIs
DateAccepted/In press - 7 Oct 2019
DatePublished (current) - 10 Dec 2019

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.

    Research areas

  • nonholonomic constraint, phase space structures, invariant manifolds, chemical reaction, roaming

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  • Full-text PDF (author’s accepted manuscript)

    Rights statement: This is the author accepted manuscript (AAM). The final published version (version of record) is available online via MAIK Nauka/Interperiodica (МАИК Наука/Интерпериодика) at https://link.springer.com/article/10.1134/S1560354719060030#Abs1 . Please refer to any applicable terms of use of the publisher.

    Accepted author manuscript, 2 MB, PDF document

DOI

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