Memorias de investigación
Artículos en revistas:
Solvent-Induced Acceleration of the Rate of Activation of a Molecular Reaction
Año:2008
Áreas de investigación
  • Electrónica
Datos
Descripción
An increase in the rates of activated processes with the coupling to the solvent has long been predicted through the phenomenological Langevin equation in the weak coupling regime. However, its direct observation in particle-based models has been elusive because the coupling typically places the processes in the spacial-diffusion limited regime wherein rates decrease with increasing friction. In this work, the forward and backward reaction rates of the LiNC-LiCN isomerization reaction in a bath of argon atoms at various densities have been calculated directly using molecular dynamics trajectories. The so-called Kramers turnover in the rate with microscopic friction is clearly visible, thus providing direct and unambiguous evidence for the energy-diffusion regime in which rates increase with friction.
Internacional
Si
JCR del ISI
Si
Título de la revista
PHYSICAL REVIEW LETTERS
ISSN
0031-9007
Factor de impacto JCR
6,944
Información de impacto
Volumen
101
DOI
10.1103/PhysRevLett.101.178302
Número de revista
17
Desde la página
178302
Hasta la página
1-4
Mes
OCTUBRE
Ranking
Esta actividad pertenece a memorias de investigación
Participantes
  • Autor: Florentino Borondo Universidad Autónoma de Madrid
  • Autor: P. L. García-Müller Universidad Autónoma de Madrid
  • Autor: Rosa Maria Benito Zafrilla UPM
  • Autor: Rigoberto Hernandez Georgia Institute of Technology, Estados Unidos
Grupos de investigación, Departamentos, Centros e Institutos de I+D+i relacionados
  • Creador: Grupo de Investigación: Grupo de Sistemas Complejos
  • Departamento: Física y Mecánica Fundamentales y Aplicada a la Ingeniería Agroforestal