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Low Temperature Kinetics of the First Steps of Water Cluster Formation.
Bourgalais, J; Roussel, V; Capron, M; Benidar, A; Jasper, A W; Klippenstein, S J; Biennier, L; Le Picard, S D.
Affiliation
  • Bourgalais J; Institut de Physique de Rennes, UMR 6251 CNRS-Université de Rennes 1, 263 avenue Général Leclerc, 35042 Rennes cedex, France.
  • Roussel V; Institut de Physique de Rennes, UMR 6251 CNRS-Université de Rennes 1, 263 avenue Général Leclerc, 35042 Rennes cedex, France.
  • Capron M; Institut de Physique de Rennes, UMR 6251 CNRS-Université de Rennes 1, 263 avenue Général Leclerc, 35042 Rennes cedex, France.
  • Benidar A; Institut de Physique de Rennes, UMR 6251 CNRS-Université de Rennes 1, 263 avenue Général Leclerc, 35042 Rennes cedex, France.
  • Jasper AW; Combustion Research Facility, Sandia National Laboratories, Livermore, California 94551, USA.
  • Klippenstein SJ; Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.
  • Biennier L; Institut de Physique de Rennes, UMR 6251 CNRS-Université de Rennes 1, 263 avenue Général Leclerc, 35042 Rennes cedex, France.
  • Le Picard SD; Institut de Physique de Rennes, UMR 6251 CNRS-Université de Rennes 1, 263 avenue Général Leclerc, 35042 Rennes cedex, France.
Phys Rev Lett ; 116(11): 113401, 2016 Mar 18.
Article in En | MEDLINE | ID: mdl-27035301
ABSTRACT
We present a combined experimental and theoretical low temperature kinetic study of water cluster formation. Water cluster growth takes place in low temperature (23-69 K) supersonic flows. The observed kinetics of formation of water clusters are reproduced with a kinetic model based on theoretical predictions for the first steps of clusterization. The temperature- and pressure-dependent association and dissociation rate coefficients are predicted with an ab initio transition state theory based master equation approach over a wide range of temperatures (20-100 K) and pressures (10^{-6}-10 bar).

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Phys Rev Lett Year: 2016 Type: Article Affiliation country: France

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Phys Rev Lett Year: 2016 Type: Article Affiliation country: France