Effect of temperature and glycerol on the hydrogen-bond dynamics of water

TL;DR

This study investigates how temperature and glycerol concentration influence the hydrogen-bond network and structure of water, revealing correlations between relaxation times, hydrogen bonds, and molecular clustering.

Contribution

It provides new insights into the effects of glycerol concentration and temperature on water's hydrogen-bond dynamics and structure, which were not fully understood before.

Findings

Relaxation time correlates with the average number of hydrogen bonds.

Glycerol concentration affects water's molecular clustering.

Radial distribution functions clarify structural changes.

Abstract

The effect of glycerol, water and glycerol-water binary mixtures on the structure and dynamics of biomolecules has been well studied. However, a lot remains to be learned about the effect of varying glycerol concentration and temperature on the dynamics of water. We have studied the effect of concentration and temperature on the hydrogen bonded network formed by water molecules. A strong correlation between the relaxation time of the network and average number of hydrogen bonds per water molecules was found. The radial distribution function of water oxygen and hydrogen atoms clarifies the effect of concentration on the structure and clustering of water.