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Phase Behavior of Two-Dimensional Water Confined in Graphene Nanocapillaries

Phase Behavior of Two-Dimensional Water Confined in Graphene Nanocapillaries

Paperback

Series: Springer Theses

Technology & EngineeringChemistryPhysics

ISBN10: 9811579598
ISBN13: 9789811579592
Publisher: Springer Nature
Published: Oct 9 2021
Pages: 118
Weight: 0.45
Height: 0.30 Width: 6.14 Depth: 9.21
Language: English
In this book, the authors use molecular dynamics simulations to conduct a comprehensive study of the compression/superheating limit and phase transition of 2D (monolayer, bilayer, and trilayer) water/ice constrained in graphene nanocapillaries. When subjected to nanoscale confinement and under ultrahigh pressure, water and ice behave quite differently than their bulk counterparts, partly because the van der Waals pressure can spark a water-to-ice transformation, known as the metastability limit of two-dimensional (2D) liquids. From a mechanical standpoint, this liquid-to-solid transformation characterizes the compression limit (or metastability limit) of 2D water. The findings presented here could help us to better understand the phase behavior of 2D confined water/ice.

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Zhu, Yinbo

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Physics