Evidence of Low-High Density Turning Point in Liquid Water at Ordinary Temperature Under Pressure: a Molecular Dynamics Study.
Abstrak
Water has a fundamental role in important processes spanning a wide range of pressure and temperature conditions. Knowledge of structural, dynamic and thermodynamic properties of water at non-standard conditions is a primary concern since interest on astronomical, geological and technological processes is continuously growing. Molecular dynamics simulations allow to study thermodynamic conditions which require sophisticate techniques and instruments, while at the same time offering the interpretation of properties at atomic level. It is established that the behavior of water is strongly affected by the temperature and pressure conditions, determining the existence of low and high density regimes. For the first time a thermodynamic property, isothermal compressibility, has been adopted to detect the low-high density turning point at ambient temperature in liquid water due to pressure. Molecular dynamics simulations have been performed with five three-site models, allowing to characterize the complexity of water nature at these conditions at atomic level.
Topik & Kata Kunci
Penulis (4)
M. Pagliai
Marina Macchiagodena
P. Procacci
G. Cardini
Akses Cepat
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- 2019
- Bahasa
- en
- Total Sitasi
- 10×
- Sumber Database
- Semantic Scholar
- DOI
- 10.1021/acs.jpclett.9b02724
- Akses
- Open Access ✓