Phase Diagram of TIP4P/2005 Water at High Pressure.

No abstract is available for this paper.

• Publication year

  2017

• Venue

  Langmuir

• Publication date

  2017-08-24

• Fields of study

  Medicine, Physics, Chemistry

• Identifiers
  DOI 10.1021/acs.langmuir.7b01764PMID 28796510
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Prediction of a new ice clathrate with record low density: A potential candidate as ice XIX in guest-free form

  2017cited by this paper
• A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate s-III

  2016cited by this paper
• Ice VII from aqueous salt solutions: From a glass to a crystal with broken H-bonds

  2016cited by this paper
• Anomalous thermodynamic properties of ice XVI and metastable hydrates

  2016cited by this paper
• Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route.

  2016cited by this paper
• New porous water ice metastable at atmospheric pressure obtained by emptying a hydrogen-filled ice

  2016cited by this paper
• Adsorption Mechanism of Inhibitor and Guest Molecules on the Surface of Gas Hydrates.

  2015cited by this paper
• Dissociation of methane hydrate in aqueous NaCl solutions.

  2014cited by this paper
• Spontaneous liquid-liquid phase separation of water.

  2014cited by this paper
• Diversity of transition pathways in the course of crystallization into ice VII.

  2014cited by this paper
• Spin-one Ising model for ice VII-plastic ice phase transitions.

  2014cited by this paper
• Formation and properties of ice XVI obtained by emptying a type sII clathrate hydrate

  2014cited by this paper
• Yet another criticality of water.

  2014cited by this paper
• Computer simulation study of the structure of LiCl aqueous solutions: test of non-standard mixing rules in the ion interaction.

  2014cited by this paper
• Corresponding states for mesostructure and dynamics of supercooled water.

  2013cited by this paper
• Determining the phase diagram of water from direct coexistence simulations: the phase diagram of the TIP4P/2005 model revisited.

  2013cited by this paper
• Determining the phase diagram of water from direct coexistence simulations : The phase diagram of the TIP 4 P / 2005 model revisited

  2013cited by this paper
• An analysis of fluctuations in supercooled TIP4P/2005 water.

  2013cited by this paper
• Nucleation of gas hydrates within constant energy systems.

  2013cited by this paper
• Quasi-liquid layers on ice crystal surfaces are made up of two different phases

  2012cited by this paper
• Melting and superheating of sI methane hydrate: molecular dynamics study.

  2012cited by this paper
• The distorted close-packed crystal structure of methane A.

  2010cited by this paper
• Determining the three-phase coexistence line in methane hydrates using computer simulations.

  2010cited by this paper
• Widom line and the liquid-liquid critical point for the TIP4P/2005 water model.

  2010cited by this paper
• Plastic crystal phases of simple water models.

  2009cited by this paper
• The phase diagram of water at negative pressures: virtual ices.

  2009cited by this paper
• Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima

  2009cited by this paper
• Thermodynamic stability and growth of guest-free clathrate hydrates: a low-density crystal phase of water.

  2009cited by this paper
• The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase.

  2009cited by this paper
• Molecular dynamics simulations of methane hydrate decomposition.

  2009cited by this paper
• Ice XV: a new thermodynamically stable phase of ice.

  2009cited by this paper
• GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation.

  2008cited by this paper
• A plastic phase of water from computer simulation.

  2008cited by this paper
• Plastic ice in confined geometry: the evidence from neutron diffraction and NMR relaxation

  2007cited by this paper
• Equation of State, Thermal Expansion Coefficient, and Isothermal Compressibility for Ices Ih, II, III, V, and VI, as Obtained from Computer Simulation†

  2007cited by this paper
• The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface.

  2006cited by this paper
• Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice.

  2006cited by this paper
• The Preparation and Structures of Hydrogen Ordered Phases of Ice

  2006cited by this paper
• Neutron diffraction and NMR relaxation studies of structural variation and phase transformations for water/ice in SBA-15 silica: I. The over-filled case

  2006cited by this paper
• A general purpose model for the condensed phases of water: TIP4P/2005.

  2005cited by this paper
• GROMACS: Fast, flexible, and free

  2005cited by this paper
• Atomistic mechanism of NaCl nucleation from an aqueous solution.

  2004cited by this paper
• The melting lines of model systems calculated from coexistence simulations

  2002cited by this paper
• On the Possibility of the Existence of a New Ice Phase under Negative Pressures

  2001cited by this paper
• Transition path sampling and the calculation of rate constants

  1998cited by this paper
• Geometric hashing: an overview

  1997cited by this paper
• Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

  1993cited by this paper
• Location of melting point at 300 K of nitrogen by Monte Carlo simulation

  1990cited by this paper
• Canonical dynamics: Equilibrium phase-space distributions.

  1985cited by this paper
• Molecular dynamics with coupling to an external bath

  1984cited by this paper
• A unified formulation of the constant temperature molecular dynamics methods

  1984cited by this paper
• The Structure and Entropy of Ice and of Other Crystals with Some Randomness of Atomic Arrangement

  1935cited by this paper

• Comparing Molecular Models for CO 2 /H 2 O Interfacial Tension over 0–10 MPa and 300–373 K

  2026cites this paper
• Liquid-phase epitaxy to ice VI and ice XII in accordance with Ostwald's step rule.

  2025cites this paper
• Calculating a Phase Diagram of a Simple Water Model Using Unsupervised Machine Learning on Simulation Data

  2025cites this paper
• Free energy analysis of solid-liquid coexistence in water under superhydrophilic confinement

  2025cites this paper
• New metastable ice phases via supercooled water

  2025cites this paper
• Picosecond-Scale Water Rotation in C2 Hydrogen Hydrate Achieved through a Continuous Change.

  2025cites this paper
• Multiple freezing–melting pathways of high-density ice through ice XXI phase at room temperature

  2025cites this paper
• The phase diagram of Mercedes Benz model of water using nested sampling algorithm and molecular dynamics simulations

  2024cites this paper
• Hydrogen Ordering in Ice Ih Facilitates the Transition from HDA to Ice XII

  2024cites this paper
• IceCoder: Identification of Ice Phases in Molecular Simulation Using Variational Autoencoder.

  2024cites this paper
• Effect of confinement on water properties in super-hydrophilic pores using MD simulations with the mW model

  2024cites this paper
• Hydrogen-bond linking is crucial for growing ice VII embryos.

  2024cites this paper
• Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering

  2023cites this paper
• Molecular Simulation of Water Structure in Narrow Slitlike Pores

  2023cites this paper
• Observation of a Plastic Crystal in Water-Ammonia Mixtures under High Pressure and Temperature.

  2023cites this paper
• High-temperature and high-pressure plastic phase of ice at the boundary of liquid water and ice VII

  2022cites this paper
• Neutrons meet ice polymorphs

  2022cites this paper
• Insight into Liquid Polymorphism from the Complex Phase Behavior of a Simple Model.

  2021cites this paper
• Structure and dynamics of water plastic crystals from computer simulations.

  2021cites this paper
• Hydrogen bonding in liquid water at 1 GPa : Molecular Dynamics Simulation Study of TIP4P/2005 Water Model

  2021cites this paper
• Time-resolved optical probing of the non-equilibrium supercritical state in molecular media under ns laser-plasma impact.

  2021cites this paper
• Salt-Water System under Diamond Confinement

  2021cites this paper
• Theoretical analyses of pressure induced glass transition in water: Signatures of surprising diffusion-entropy scaling across the transition

  2021cites this paper
• Unraveling nucleation pathway in methane clathrate formation

  2020cites this paper
• Theoretical Study on Thermodynamic Properties of Ice and Clathrate Hydrate September

  2020cites this paper
• Molecular dynamics simulation of proteins under high pressure: Structure, function and thermodynamics.

  2020cites this paper
• Translational and Rotational Diffusion in Liquid Water at Very High Pressure: A Simulation Study.

  2019cites this paper
• Negative Thermal Expansivity of Ice: Comparison of the Monatomic mW Model with the All-Atom TIP4P/2005 Water Model

  2019cites this paper
• Pressure response of the THz spectrum of bulk liquid water revealed by intermolecular instantaneous normal mode analysis.

  2019cites this paper
• Phase diagram of ice polymorphs under negative pressure considering the limits of mechanical stability.

  2019cites this paper
• Stepwise Homogeneous Melting of Benzene Phase I at High Pressure

  2019cites this paper
• Liquid-liquid separation of aqueous solutions: A molecular dynamics study.

  2019cites this paper
• Rapid freezing of water under dynamic compression

  2018cites this paper
• Proton dynamics and the phase diagram of dense water ice.

  2018cites this paper
• Phase Diagrams of TIP4P/2005, SPC/E, and TIP5P Water at High Pressure.

  2018cites this paper