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Updated: Mar 23, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Low Temperature Kinetics of the First Steps of Water Cluster Formation
J Bourgalais1, V Roussel1, M Capron1
1Institut de Physique de Rennes, UMR 6251 CNRS-Université de Rennes 1, 263 avenue Général Leclerc, 35042 Rennes cedex, France.
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).
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