Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube.

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 terminat

SUBMITTER: Nomura K 

PROVIDER: S-EPMC5402443 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature