Friction contribution to water-bond breakage kinetics

Details Friction contribution to water-bond breakage kinetics Friction contribution to water-bond breakage kinetics

2011-11-02

arxiv.org/abs/1111.0637v1

Phys. Rev. E 84, 051501 (2011)

Physics

Condensed Matter

Soft Condensed Matter

11 pages, 10 figures

Scientific paper

10.1103/PhysRevE.84.051501

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.

Affiliated with

Also associated with

No associations

Rating

Friction contribution to water-bond breakage kinetics does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Friction contribution to water-bond breakage kinetics, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Friction contribution to water-bond breakage kinetics will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-700327