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ЖУРНАЛЫ // Regular and Chaotic Dynamics // Архив

Regul. Chaotic Dyn., 2019, том 24, выпуск 6, страницы 615–627 (Mi rcd1029)

Эта публикация цитируется в 8 статьях

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

Аннотация: 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.

Ключевые слова: nonholonomic constraint, phase space structures, invariant manifolds, chemical reaction, roaming.

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

Поступила в редакцию: 14.08.2019
Принята в печать: 07.10.2019

Язык публикации: английский

DOI: 10.1134/S1560354719060030



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