journal article·2015-10-27

Water in Inhomogeneous Nanoconfinement: Coexistence of Multilayered Liquid and Transition to Ice Nanoribbons

Hu Qiu, Xiao Cheng Zeng, Wanlin Guo

ACS Nano· Volume 9· Issue 10
Publisher page

Abstract

Phase behavior and the associated phase transition of water within inhomogeneous nanoconfinement are investigated using molecular dynamics simulations. The nanoconfinement is constructed by a flat bottom plate and a convex top plate. At 300 K, the confined water can be viewed as a coexistence of monolayer, bilayer, and trilayer liquid domains to accommodate the inhomogeneous confinement. With increasing liquid density, the confined water with uneven layers transforms separately into two-dimensional ice crystals with unchanged layer number and rhombic in-plane symmetry for oxygen atoms. The monolayer water undergoes the transition first into a puckered ice nanoribbon, and the bilayer water transforms into a rhombic ice nanoribbon next, followed by the transition of trilayer water into a trilayer ice nanoribbon. The sequential localized liquid-to-solid transition within the inhomogeneous confinement can also be achieved by gradually decreasing the temperature at low liquid densities. These findings of phase behaviors of water under the inhomogeneous nanoconfinement not only extend the phase diagram of confined water but also have implications for realistic nanofluidic systems and microporous materials.
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Research context

OpenAlex topics: Material Dynamics and Properties · Nanopore and Nanochannel Transport Studies · Spectroscopy and Quantum Chemical Studies

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Key Laboratory for Intelligent Nano Materials and Devices of MOE and State Key Laboratory of Mechanics and Control of Mechanical Structures, Institute of Nano Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China

Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska−Lincoln, Lincoln, Nebraska 68588, United States

Funding

Division of Chemistry · Ministry of Science and Technology of the People's Republic of China · Research Fund, Nanjing University of Aeronautics and Astronautics · Jiangsu Postdoctoral Research Funds · National Natural Science Foundation of China · China Postdoctoral Science Foundation · Key Laboratory for Intelligent Nano Materials and Devices, Ministry of Education · Ministry of Education of the People's Republic of China · Division of Chemical, Bioengineering, Environmental, and Transport Systems · Natural Science Foundation of Jiangsu Province

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