# Friction contribution to water-bond breakage kinetics

Source: [Friction contribution to water-bond breakage kinetics](<https://www.sota2.com/research/paper/68fa2ad41e209131ce841586>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-24T13:50:04.728Z

Authors: Yann von Hansen, Felix Sedlmeier, Michael Hinczewski, Roland R. Netz

Published: 2011-11-02T20:01:54.000Z

## Abstract

Based on the trajectories of the separation between water molecule pairs from MD simulations, we investigate the bond breakage dynamics in bulk water. From the spectrum of mean first-passage times, the Fokker-Planck equation allows us to derive the diffusivity profile along the separation coordinate and thus to unambiguously disentangle the effects of free-energy and local friction on the separation kinetics. For tightly coordinated water the friction is six times higher than in bulk, which can be interpreted in terms of a dominant reaction path that involves additional orthogonal coordinates.

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## Original sources and implementation

[Original paper](<https://arxiv.org/abs/1111.0637>)

[PDF](<https://arxiv.org/pdf/1111.0637.pdf>)