Yurii V Geletii

Autoprotolysis is traditionally considered to occur mainly through classical mechanical processes (reaction rate constants k). However, in recent decades, attention has been paid to quantum effects, especially nuclear delocalization, tunneling effects and their role in autoprotolysis. Studies have shown that the constant of water autoprotolysis is significantly higher in the case of H2O compared to D2O. This difference is due not only to the difference in the masses of protons and deuterons, but also to deep nuclear quantum effects. Nuclear quantum effects play a critical role in the autoprotolysis of H2O and D2O, determining not only the rate of this process, but also its main characteristics. Understanding these phenomena is important for a wide range of fields - from chemistry to biophysics. Further research in this area can lead to breakthroughs in the understanding of molecular processes and quantum mechanics in general. Autoprotolysis is traditionally considered to occur mainly through classical mechanical processes (reaction rate constants k). However, in recent decades, attention has been paid to quantum effects, especially nuclear delocalization, tunneling effects and their role in autoprotolysis. Studies have shown that the constant of water autoprotolysis is significantly higher in the case of H2O compared to D2O. This difference is due not only to the difference in the masses of protons and deuterons, but also to deep nuclear quantum effects. Nuclear quantum effects play a critical role in the autoprotolysis of H2O and D2O, determining not only the rate of this process, but also its main characteristics. Understanding these phenomena is important for a wide range of fields - from chemistry to biophysics. Further research in this area can lead to breakthroughs in the understanding of molecular processes and quantum mechanics in general. The influence of the nuclear quantum effect on the properties of surfactant solutions see

Preprint Nuclear quantum effect in aqueous micellar surfactant solutions

Dear Yuri Mirgorod ,

I understand very well the complexity of this process. If you want to build a kinetic model, you need to assign the formal reaction rate constants for this reaction. The reaction rate constant k(reverse) has been measured and it is about 10^13. The rate constants for dissociation of some acids have been also measured. My question is what are the formal reaction rate constants for water self-ionization?

Dear Yurii V Geletii

In water, there is a competition between classical (thermal) and quantum fluctuations. You want to translate this process into the language of classical kinetics (formal rate constants of the self-ionization reaction of water). This is not done yet because of its complexity. However, you may do it. I encounter a similar problem at the level of hydrophobic interaction. The reviewers do not yet understand what it is. They are used to working (as far as they can) with classical theories or using computational methods.