Structural properties and liquid spinodal of water confined in a hydrophobic environment
arXiv:0804.2964 · doi:10.1103/PhysRevE.76.061202
Abstract
We present the results of a computer simulation study of thermodynamical properties of TIP4P water confined in a hydrophobic disordered matrix of soft spheres upon supercooling. The hydrogen bond network of water appears preserved in this hydrophobic confinement. Nonetheless a reduction in the average number of hydrogen bonds due to the geometrical constraints is observed. The liquid branch of the spinodal line is calculated from 350 K down to 210 K. The same thermodynamic scenario of the bulk is found: the spinodal curve is monotonically decreasing. The line of maximum density bends avoiding a crossing of the spinodal. There is however a shift both of the line of maximum density and of the spinodal toward higher pressures and lower temperatures with respect to bulk.
arXiv comment7 pages, 12 figures
References in corpus (16)
- Relation Between the Widom line and the Strong-Fragile Dynamic Crossover in Systems with a Liquid-Liquid Phase Transition
- Pressure Dependence of Fragile-to-Strong Transition and a Possible Second Critical Point in Supercooled Confined Water
- Effect of pressure on the phase behavior and structure of water confined between nanoscale hydrophobic and hydrophilic plates
- Interplay Between Time-Temperature-Transformation and the Liquid-Liquid Phase Transition in Water
- Thermodynamics, Structure, and Dynamics of Water Confined between Hydrophobic Plates
- Observation of the Density Minimum in Deeply Supercooled Confined Water
- Density minimum and liquid-liquid phase transition
- Glass transition and layering effects in confined water: a computer simulation study
- Supercooled confined water and the Mode Coupling crossover temperature
- Static and Dynamic Properties of Stretched Water
- Layer Analysis of the Structure of Water Confined in Vycor Glass
- Confined water in the low hydration regime
- Effect of water-wall interaction potential on the properties of nanoconfined water
- Spinodal of supercooled polarizable water
- Computer simulation of structural properties of dilute aqueous solutions of argon at supercritical conditions
- Local order in aqueous solutions of rare gases and the role of the solute concentration: a computer simulation study with a polarizable potential
Cited by in corpus (7)
- Anomalies in a waterlike model confined between plates
- Large decrease of fluctuations for supercooled water in hydrophobic nanoconfinement
- Time-domain THz spectroscopy reveals coupled protein-hydration dielectric response in solutions of native and fibrils of human lyso-zyme
- Absence of a Diffusion Anomaly in Water Perpendicular to Hydrophobic Nanoconfining Walls
- Thermodynamic behaviour and structural properties of an aqueous sodium chloride solution upon supercooling
- Dynamically Slow Processes in Supercooled Water Confined Between Hydrophobic Plates
- Effect of concentration on the thermodynamics of sodium chloride aqueous solutions in the supercooled regime