Liquid-Ice Coexistence below the Melting Temperature for Water Confined in Hydrophilic and Hydrophobic Nanopores

• Published in: Journal of physical chemistry. C Vol. 116; no. 13; pp. 7507 - 7514
• Main Authors: Moore, Emily B, Allen, James T, Molinero, Valeria
• Format: Journal Article
• Language: English
• Published: Columbus, OH American Chemical Society 05.04.2012
• Subjects: Condensed matter: structure, mechanical and thermal properties; Equations of state, phase equilibria, and phase transitions; Exact sciences and technology; Physics; Solid-solid transitions; Solubility, segregation, and mixing; phase separation; Specific phase transitions; Temperature dependence; Cubic lattices; Stacking sequence; Digital simulation; Molecular dynamics method; Solubility; Theoretical study; Ice; Nanoporous materials; Coexistence; Liquid layer; Melting points; Hexagonal lattices; Chemical modification; Experimental design; Supercooling; Liquid solid transition; Nanopore; Nanoporosity

We use molecular dynamics simulations to investigate the coexistence between confined ice and liquid water as a function of temperature for a series of cylindrical nanopores with water–wall interactions ranging from strongly hydrophilic to very hydrophobic. In agreement with previous results from ex...