Observatorio de I+D+i UPM

Memorias de investigación
Communications at congresses:
Reaction rate calculation for dissipative systems using invariant manifolds
Year:2013
Research Areas
  • Physics chemical and mathematical
Information
Abstract
In this communication, we report on a new method that allows the identification of reactive trajectories exactly in anharmonic systems that interact with their environments without the need of any computationally costly numerical simulation. The method is based on the existence of geometrical structures (invariant manifolds) that act as separatrices of phase space. Further, we have succeeded in computing exact reaction rates; this has allowed us to calculate analytic corrections to the famous Kramer?s formula due to the nonlinearities of the system.
International
Si
Congress
XXXIII Dynamics Days Europe [www.dynamics-days-europe-2013.org]
960
Place
Madrid
Reviewers
Si
ISBN/ISSN
978-84-15302-43-8
Start Date
03/06/2013
End Date
07/06/2013
From page
152
To page
152
XXXIII Dynamics Days Europe. Book of Abstracts [www.dynamics-days-europe-2013.org/DDEXXXIII-AbstractsBook.pdf]
Participants
  • Autor: Fabio Revuelta Peña (UPM)
  • Autor: Thomas Bartsch Thomas Bartsch (Loughborough University, United Kingdom)
  • Autor: Rosa Maria Benito Zafrilla (UPM)
  • Autor: Florentino Borondo (Universidad Autónoma de Madrid)
Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Grupo de Sistemas Complejos
  • Departamento: Física y Mecánica Fundamentales y Aplicada a la Ingeniería Agroforestal
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