ArticleProceedings of the National Academy of Sciences of the United States of America2017
Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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9 citing papers in PubMed.
- Microsecond-Scale Molecular Dynamics Simulation of Phase Transition of a Bilayer Ice: Kinetic Constraints in Confined Water.The journal of physical chemistry. B · 2025Article
- Exploring the influence of water micro assemblies on protein folding, enzyme catalysis and membrane dynamics.European biophysics journal : EBJ · 2025Review
- Phase Transitions and Hysteresis for a Simple Model Liquid Crystal by Replica-Exchange Monte Carlo Simulations.Molecules (Basel, Switzerland) · 2021Article
- Formation of a Low-Density Liquid Phase during the Dissociation of Gas Hydrates in Confined Environments.Nanomaterials (Basel, Switzerland) · 2021Article
- Thermodynamics of interfaces extended to nanoscales by introducing integral and differential surface tensions.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Electric Field Induced Dewetting of Hydrophobic Nanocavities at Ambient Temperature.Nanomaterials (Basel, Switzerland) · 2020Article
- Spontaneous directional motion of water molecules in single-walled carbon nanotubes with a stiffness gradient.Nanoscale advances · 2019Article
- Adsorption of water, methanol, and their mixtures in slit graphite pores.The Journal of chemical physics · 2019Article
- Phase behaviors of deeply supercooled bilayer water unseen in bulk water.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
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6 authors.
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Abstract
Possible transition between two phases of supercooled liquid water, namely the low- and high-density liquid water, has been only predicted to occur below 230 K from molecular dynamics (MD) simulation. However, such a phase transition cannot be detected in the laboratory because of the so-called "no-man's land" under deeply supercooled condition, where only crystalline ices have been observed. Here, we show MD simulation evidence that, inside an isolated carbon nanotube (CNT) with a diameter of 1.25 nm, both low- and high-density liquid water states can be detected near ambient temperature and above ambient pressure. In the temperature-pressure phase diagram, the low- and high-density liquid water phases are separated by the hexagonal ice nanotube (hINT) phase, and the melting line terminates at the isochore end point near 292 K because of the retracting melting line from 292 to 278 K. Beyond the isochore end point (292 K), low- and high-density liquid becomes indistinguishable. When the pressure is increased from 10 to 600 MPa along the 280-K isotherm, we observe that water inside the 1.25-nm-diameter CNT can undergo low-density liquid to hINT to high-density liquid reentrant first-order transitions.
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