Study of Phase Coherence of Molecular Orientations in Coherence Domains of Water by Dynamic Molecular Simulation
JY Dolveck
Natur’Eau Quant Association, 187 Chemin du Mas Audibal, F-30360 VEZENOBRES
Keywords: Water, Molecular simulation dynamics, Coherence domains, Phase coherence
Published: March 21, 2021
Abstract
The properties of spatial phase coherence of molecular orientations in coherence domains in water are illustrated by dynamic molecular simulation. Nano-droplets of water are modeled. The behaviors of these nano-droplets in their ground state and in their excited state are compared through different models. Coherence of molecular orientations is studied in the presence or absence of a constant or alternating electric field in the microwaves range of frequencies. The input parameters are the intensity or the frequency of the field and the size of the nano-droplets. The output data studied are the cohesion energy, the electrostatic interaction energy with the electric field and the coherence degree of the molecular orientations. We then try to analyze and discuss the effect of the different types of molecular interactions on observed behavior of nano-droplets: it appears that non-oriented intermolecular interactions, such as London-type dispersive interactions for example, favor an increase in phase coherence of the molecular orientations unlike intermolecular electrostatic dipolar interactions