Publications de Umbertoluca Ranieri

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

Richard Gaal, Livia Eleonora Bove Kado, Umbertoluca Ranieri

Hydrogen clathrate hydrates are ice-like crystalline substances in which hydrogen molecules are trapped inside polyhedral cages formed by the water molecules. Small cages can host only a single H-2 molecule, while each large cage can be occupied by up to f ...

Aip Publishing2024

Low-Temperature Dynamics of Water Confined in Unidirectional Hydrophilic Zeolite Nanopores

Livia Eleonora Bove Kado, Umbertoluca Ranieri, Maria Rescigno

The dynamical properties of water molecules confinedin the unidirectionalhydrophilic nanopores of AlPO4-54 are investigated withquasi-elastic neutron scattering as a function of temperature downto 118 K. AlPO4-54 has among the largest pores known foralumin ...

AMER CHEMICAL SOC2023

Temperature- and pressure-dependence of the hydrogen bond network in plastic ice VII

Livia Eleonora Bove Kado, Umbertoluca Ranieri, Maria Rescigno

We model, via classical molecular dynamics simulations, the plastic phase of ice VII across a wide range of the phase diagram of interest for planetary investigations. Although structural and dynamical properties of plastic ice VII are mostly independent o ...

AIP Publishing2022

Observation of methane filled hexagonal ice stable up to 150 GPa

Richard Gaal, Philippe Gillet, Livia Eleonora Bove Kado, Umbertoluca Ranieri

Gas hydrates consist of hydrogen-bonded water frameworks enclosing guest gas molecules and have been the focus of intense research for almost 40 y, both for their fundamental role in the understanding of hydrophobic interactions and for gas storage and ene ...

National Academy of Sciences2019

Quantum Dynamics of H-2 and D-2 Confined in Hydrate Structures as a Function of Pressure and Temperature

Richard Gaal, Philippe Gillet, Livia Eleonora Bove Kado, Umbertoluca Ranieri

We present an extensive study of the quantum dynamics of molecular hydrogen trapped within the nanocavities of two hydrate structures at low temperatures, namely, clathrate structure II and filled ice structure Cl. By inelastic neutron scattering measureme ...

AMER CHEMICAL SOC2019

Salt- and gas-filled ices under planetary conditions

Livia Eleonora Bove Kado, Umbertoluca Ranieri

In recent years, evidence has emerged that solid water can contain substantial amounts of guest species, such as small gas molecules-in gas hydrate structures-or ions-in salty ice structures-and that these 'filled' ice structures can be stable under pressu ...

ROYAL SOC2019

Orientational Ordering, Locking-in, and Distortion of CH4 Molecules in Methane Hydrate III under High Pressure

Richard Gaal, Philippe Gillet, Livia Eleonora Bove Kado, Umbertoluca Ranieri

2018

Guest dynamics in methane hydrates and hydrogen hydrates under high pressure

Umbertoluca Ranieri

Hydrates of gas are non-stoichiometric inclusion compounds constituted of water and gas. Therein, the water molecules are hydrogen-bonded and form three-dimensional crystalline networks incorporating different kinds of polar or nonpolar guest gas molecules ...

EPFL2018

Dynamical Crossover in Hot Dense Water: The Hydrogen Bond Role

Philippe Gillet, Livia Eleonora Bove Kado, Umbertoluca Ranieri

We investigate the terahertz dynamics of liquid H2O as a function of pressure along the 450 K isotherm, by coupled quasielastic neutron scattering and inelastic X-ray scattering experiments. The pressure dependence of the single molecule dynamics is anomal ...

Amer Chemical Soc2016