Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube
| Autor: | Xiao Cheng Zeng, Kentaro Nomura, Kenji Yasuoka, Jaeil Bai, Toshihiro Kaneko, Joseph S. Francisco |
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| Rok vydání: | 2017 |
| Předmět: |
Phase transition
Nanotube Materials science 02 engineering and technology Carbon nanotube Molecular Dynamics Simulation 010402 general chemistry 01 natural sciences Phase Transition law.invention Molecular dynamics law Phase (matter) Supercooling Phase diagram Multidisciplinary Chromatography Nanotubes Carbon Water 021001 nanoscience & nanotechnology 0104 chemical sciences Chemical physics Physical Sciences Thermodynamics 0210 nano-technology Isochores Ambient pressure |
| Zdroj: | Proceedings of the National Academy of Sciences. 114:4066-4071 |
| ISSN: | 1091-6490 0027-8424 |
| DOI: | 10.1073/pnas.1701609114 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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