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Density profile and pressure of a confined fluid with core-softened potential: a one-dimensional model of water in a slit

Iwamatsu, Masao - In: Physica A: Statistical Mechanics and its Applications 329 (2003) 1, pp. 14-28

has been used as a simple zeroth-order approximation of liquid water, which reproduces anomalous thermal expansion and …

Persistent link: https://www.econbiz.de/10010873063

Jumping between water polymorphs

Ricci, M.A.; Soper, A.K. - In: Physica A: Statistical Mechanics and its Applications 304 (2002) 1, pp. 43-52

The three site–site partial structure factors of two polymorphs of water have been extrapolated from neutron … diffraction experiments exploiting the isotopic H/D substitution performed on pure supercooled water. The low density polymorph …

Persistent link: https://www.econbiz.de/10010873372

Neutron diffraction studies of structural phase transformations for water–ice in confined geometry

Dore, John; Webber, Beau; Hartl, Monika; Behrens, Peter; … - In: Physica A: Statistical Mechanics and its Applications 314 (2002) 1, pp. 501-507

Neutron diffraction measurements have been made for D2O water in the confined geometry of various mesoporous silicas …

Persistent link: https://www.econbiz.de/10010874210

IQENS dynamics in hydrated Crambin

Wanderlingh, U.N.; Giordano, R.; Dianoux, A.J.; … - In: Physica A: Statistical Mechanics and its Applications 304 (2002) 1, pp. 276-282

of the water. The spectra were interpreted in terms of an elastic peak and a quasi-elastic Lorentzian contribution. From … case of water dynamics, the data show a confinement effect on the diffusion of hydration water. …

Persistent link: https://www.econbiz.de/10010874705

Thermodynamic behavior of a water model with a liquid–liquid critical point

Marqués, Manuel I. - In: Physica A: Statistical Mechanics and its Applications 386 (2007) 2, pp. 708-712

In this paper we calculate the constant pressure specific heat response of a water model with a liquid–liquid critical …

Persistent link: https://www.econbiz.de/10010871938

Relation between structural and dynamical anomalies in supercooled water

Netz, Paulo.A; Starr, Francis.W; Barbosa, Marcia C; … - In: Physica A: Statistical Mechanics and its Applications 314 (2002) 1, pp. 470-476

We step toward the elucidation of the relation between the structural and dynamic anomalies in supercooled water. We … present the results of molecular dynamics simulations of the extended simple point charge (SPC/E) model of water for the …

Persistent link: https://www.econbiz.de/10010871978

A theory for discriminating the mechanism responsible for the water density anomaly

Franzese, Giancarlo; Eugene Stanley, H. - In: Physica A: Statistical Mechanics and its Applications 314 (2002) 1, pp. 508-513

We propose a model elucidating the mechanisms at the origin of the density anomaly of water. We start from a model of … second critical point scenario. Since experiments on water show the presence of HBs correlation, this result suggests that …

Persistent link: https://www.econbiz.de/10010588634

Novel neon-hydrate of cubic ice structure

Hakim, Lukman; Koga, Kenichiro; Tanaka, Hideki - In: Physica A: Statistical Mechanics and its Applications 389 (2010) 9, pp. 1834-1838

The stability of ice I cubic (ice Ic) whose voids are occupied by neon particles is investigated using a hybrid type of isobaric grand-canonical Monte Carlo simulation. We show that the resulting neon hydrate is stable under high pressure and temperature where ice Ic alone is unstable,...

Persistent link: https://www.econbiz.de/10010589049

Self-organized criticality and color vision: A guide to water–protein landscape evolution

Phillips, J.C. - In: Physica A: Statistical Mechanics and its Applications 392 (2013) 3, pp. 468-473

thereby encapsulates universal non-Euclidean long-range differential geometrical features of water films enveloping globular … proteins in the Protein Data Bank. Whereas the rhodopsin blue rod water films are smoothest in humans, the red cone opsins …’ water films are optimized for smoothness in cats and elephants, consistent with protein species landscapes that evolve …

Persistent link: https://www.econbiz.de/10010595172

Temperature effects on the diffusion of water and monovalent counterions in the hydrated montmorillonite

Zheng, Y.; Zaoui, A. - In: Physica A: Statistical Mechanics and its Applications 392 (2013) 23, pp. 5994-6001

We investigate here the effect of temperature on the diffusion of water and cations in the Wyoming-type montmorillonite … interlayer ions and water molecules under a temperature range between 260 and 400 K. The diffusion coefficient of water and … cations in different hydrated clays increases with temperature. The influence of temperature on the diffusion of water is much …

Persistent link: https://www.econbiz.de/10010703206