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Using heterodyne-detected optical Kerr effect (HD-OKE) measurements, we investigate the vibrational dynamics and the structural relaxation of water nanoconfined in Vycor porous silica samples (pore size $\simeq~4~nm$ ) at different levels…

Soft Condensed Matter · Physics 2015-05-20 A. Taschin , P. Bartolini , A. Marcelli , R. Righini , R. Torre

The low frequency vibrational spectra of hydrated porous silica are specifically sensitive to the hydrogen bond interactions and provides a wealth of information on the structural and dynamical properties of the water contained in the pores…

Soft Condensed Matter · Physics 2017-02-08 Andrea Taschin , Paolo Bartolini , Agnese Marcelli , Roberto Righini , Renato Torre

The liquid and supercooled states of water show a series of anomalies whose nature is debated. A key role is attributed to the formation of structural aggregates induced by critical phenomena occurring deep in the supercooled region; the…

Chemical Physics · Physics 2013-12-18 A. Taschin , P. Bartolini , R. Eramo , R. Righini , R. Torre

Nanoconfined waters have been extensively studied within various systems, demonstrating low permittivity under static conditions; however, their dynamics have been largely unexplored due to the lack of a robust platform, particularly in the…

Large scale molecular dynamics simulations are used to investigate the structural and dynamical modifications of supercooled water when confined inside an hydrophilic nanopore. We then investigate the evolution of the auto-organization of…

Disordered Systems and Neural Networks · Physics 2015-06-25 Victor Teboul

We report here a molecular dynamics simulation study on water and aqueous LiCl solutions confined in 1.6 nm cylindrical pores of silica to investigate a dynamical cross-over, observed earlier experimentally, wherein LiCl slows down confined…

Soft Condensed Matter · Physics 2025-04-10 Siddharth Gautam , Lukas Vlcek , Eugene Mamontov , David Cole

We have investigated the dynamics of water confined in mesostructured porous silicas (SBA-15, MCM-41) and four periodic mesoporous organosilicas (PMOs) by dielectric relaxation spectroscopy. The influence of water-surface interaction has…

We analyze thermodynamics of water samples confined in nanopores and prove that although the freezing temperature can be dramatically lower, the suppression of the ice nucleation leading to the freezing temperature depression is a truly…

Soft Condensed Matter · Physics 2012-06-18 P. O. Fedichev , L. I. Menshikov

We use molecular dynamics computer simulations and nuclear magnetic resonance experiments to investigate the dynamics of water at interfaces of molecular roughness and low mobility. We find that, when approaching such interfaces, the…

Soft Condensed Matter · Physics 2014-07-22 Markus Rosenstihl , Kerstin Kämpf , Felix Klameth , Matthias Sattig , Michael Vogel

The mechanical properties of nanoconfined water layers are still poorly understood and continue to create considerable controversy, despite their importance for biology and nanotechnology. Here, we report on dynamic nanomechanical…

Soft Condensed Matter · Physics 2015-05-19 Shah H. Khan , George Matei , Shivprasad Patil , Peter M. Hoffmann

Dynamical mechanical analysis (DMA)(f=0.2 - 100 Hz) is used to study the dynamics of confined water in mesoporous Gelsil (2.6 nm and 5 nm pores) and Vycor (10 nm) in the temperature range from T=80 K to 300 K. Confining water into nanopores…

Soft Condensed Matter · Physics 2020-05-27 V. Soprunyuk , W. Schranz , P. Huber

Thin layers of water on biomolecular and other nanostructured surfaces can be supercooled to temperatures not accessible with bulk water. Chen et al. [PNAS 103, 9012 (2006)] suggested that anomalies near 220 K observed by quasi-elastic…

Soft Condensed Matter · Physics 2010-03-04 W. Doster , S. Busch , A. M. Gaspar , M. -S. Appavou , J. Wuttke , H. Scheer

Many of the anomalous properties of water are amplified in the deeply supercooled region. Here we present neutron scattering measurements of the density of heavy water confined in a nanoporous silica matrix MCM-41-S (\approx15 {\AA} pore…

Water has many anomalous properties compared to "simple" liquids, and these anomalies are typically enhanced in supercooled water. While numerous models have been proposed, including the liquid-liquid critical point, the singularity-free…

Chemical Physics · Physics 2020-10-28 Loni Kringle , Wyatt A. Thornley , Bruce D. Kay , Greg A. Kimmel

Single particle dynamics of water confined in a nanopore is studied through Computer Molecular Dynamics. The pore is modeled to represent the average properties of a pore of Vycor glass. Dynamics is analyzed at different hydration levels…

Statistical Mechanics · Physics 2009-10-31 P. Gallo , M. Rovere , E. Spohr

When water molecules are confined to nanoscale spacings, such as in the nanometer size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low temperatures ($\sim$ 150 K), leading to a metastable liquid…

Soft Condensed Matter · Physics 2015-06-23 S. O. Diallo , L. Vlcek , E. Mamontov , J. K. Keum , Jihua Chen , J. S. Hayes , A. A. Chialvo

The structure of water confined in MCM41 silica cylindrical pores is studied to determine if confined water really is simply a version of the bulk liquid which can be substantially supercooled without crystallisation. A combination of total…

Soft Condensed Matter · Physics 2013-09-27 A K Soper

We report the diffusion of water molecules confined in the pores of folded silica materials (FSM-12 with average pore diameter of $\sim$ 16 \AA), measured by means of quasielastic neutron scattering using the cold neutron chopper…

Soft Condensed Matter · Physics 2015-06-16 S. O. Diallo , E. Mamontov , A. Podlesnyak , G. Ehlers , N. Wada , S. Inagaki , Y. Fukushima

The mobility of water molecules confined in a silica pore is studied by computer simulation in the low hydration regime, where most of the molecules reside close to the hydrophilic substrate. A layer analysis of the single particle dynamics…

Statistical Mechanics · Physics 2009-11-10 P. Gallo , M. Rovere

Molecular dynamics results on water confined in a silica pore in the low hydration regime are presented. Strong layering effects are found due to the hydrophilic character of the substrate. The local properties of water are studied as…

Soft Condensed Matter · Physics 2009-11-07 P. Gallo , M. Rapinesi , M. Rovere
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