UB team presents innovative theoretical research to explain anomalous properties of water – News

“However, the CVF model achieves this because it incorporates the results of quantum calculations. from the very beginning about interactions between molecules. These interactions, known as interactions many bodies “They go beyond classical physics and are due to the fact that water molecules share electrons in a way that is difficult to measure experimentally,” says Franzese.

According to the study, “fluctuations in the density, energy, and entropy of water are governed by these quantum interactions, with effects ranging from the nanometer to the macroscopic scale,” researcher Luis E. Coronas details.

“For example,” continues Coronas, “water regulates the exchange of energy and molecules, as well as the aggregative state of proteins and nucleic acids in cells. It is hypothesized that defects in these processes can cause serious diseases such as Alzheimer’s, Parkinson’s and amyotrophic lateral sclerosis. Therefore, understanding how water fluctuations contribute to these processes may be key to finding treatments for these pathologies.”

Promoting the development of new biotechnologies

The CVF model also offers new advantages that enable calculations where other models fail, either because they are very computationally complex or because they deviate significantly from experimental results.

In the area of ​​technological developments, some laboratories are developing biotechnologies for muscle replacement (mechanical actuators)

which use quantum interactions of water; water based memories (water based memristors) to create memory devices (with a capacity millions of times greater than current ones) or the use of graphene sponges that separate water from impurities due to fluctuations in the density of water in nanopores.

This also has implications for understanding the physics of water. “This model can reproduce the properties of liquid water at almost all temperatures and pressures encountered on our planet, although it deviates under extreme conditions achieved in laboratories,” the experts say. “This shows that effects not included in the model—nuclear quantum effects—are also important at these extreme pressures and temperatures. Thus, the limitations of the model tell us where it can be improved to reach the final formulation,” they conclude.
​​​​​​

Help Article:

Crowns, Luis Enrique; Franzese, Giancarlo. “Phase behavior of metastable water based on large-scale simulations of a quantitatively accurate model near environmental conditions: the liquid-liquid critical point.” Journal of Chemical PhysicsOctober 2024 DOI: 10.1063/5.0219313.