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Probing the Structure and Dynamics of Water in its Various States

Descrizione del progetto

Struttura e dinamica dell’acqua al microscopio

La comprensione microscopica dell’acqua riguarda la struttura e la dinamica della rete di legami a idrogeno su cui si basano le proprietà uniche dell’acqua. Il progetto WATER, finanziato dal CER, sfrutterà gli innovativi laser a elettroni liberi a raggi X per studiare la struttura e la dinamica dell’acqua dalle temperature calde fino al regime di sopraffusione profonda, in cui le proprietà anomale diventano estreme. Il progetto verificherà a livello sperimentale alcune ipotesi avanzate dai modelli, le quali propongono l’esistenza di due stati liquidi dell’acqua e una transizione di fase reversibile fra questi stati. Inoltre, WATER si propone di valutare se questi liquidi possano raggiungere l’equilibrio a una velocità maggiore rispetto alla formazione di nuclei di ghiaccio e di fornire una spiegazione per le fluttuazioni associate alle funzioni di risposta divergenti.

Obiettivo

We propose to address some of the most important outstanding questions for a microscopic understanding of water: What is the structure and dynamics of the hydrogen-bonding network that give rise to all the unique properties of water? How is the structure and dynamics affected by temperature, pressure and by perturbation through interaction with solutes and interfaces? Here we point to the opportunity to exploit the completely new avenues that the novel x-ray free-electron lasers open up for probing both structure and dynamics of water from hot temperatures down to the deeply supercooled regime where the anomalous properties become extreme. We plan to further develop fast cooling and ultrafast x-ray probing allowing access to below the homogeneous ice nucleation limit, to probe equilibrium dynamics through probe-probe techniques based on x-ray correlation spectroscopy, to access low-energy vibrational mode dynamics through THz pump and x-ray scattering probe and to transfer x-ray spectroscopies into the time domain.
We will address one of the currently most debated issues related to a potential liquid-liquid transition and 2nd critical point in liquid water. The goal is to determine experimentally if water, as hypothesized in certain models, can really exist as two liquids, if there is reversible phase transition between the hypothesized liquids, evaluate if these hypothesized liquids can equilibrate on a time scale faster then the rate of ice nucleation and if there exists a critical point that can explain the fluctuations related to the diverging response functions. We will continue to critically investigate our proposed hypothesis that water at ambient temperature encompasses fluctuations around two local structures and that the dominating structure is a strongly distorted hydrogen bonded environment. We will investigate if these concepts can be used to describe the observed perturbations of water structure by solutes and interfaces.

Meccanismo di finanziamento

ERC-ADG - Advanced Grant

Istituzione ospitante

STOCKHOLMS UNIVERSITET
Contribution nette de l'UE
€ 2 486 951,00
Indirizzo
UNIVERSITETSVAGEN 10
10691 Stockholm
Svezia

Mostra sulla mappa

Regione
Östra Sverige Stockholm Stockholms län
Tipo di attività
Higher or Secondary Education Establishments
Collegamenti
Costo totale
€ 2 486 951,25

Beneficiari (1)