Fluids and electrolytes under confinement in single-digit nanopores

NR Aluru, F Aydin, MZ Bazant, D Blankschtein… - Chemical …, 2023 - ACS Publications
Confined fluids and electrolyte solutions in nanopores exhibit rich and surprising physics
and chemistry that impact the mass transport and energy efficiency in many important …

Water in nonpolar confinement: from nanotubes to proteins and beyond

JC Rasaiah, S Garde, G Hummer - Annu. Rev. Phys. Chem., 2008 - annualreviews.org
Water molecules confined to nonpolar pores and cavities of nanoscopic dimensions exhibit
highly unusual properties. Water filling is strongly cooperative, with the possible coexistence …

A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums

SW Rick - The Journal of chemical physics, 2004 - pubs.aip.org
The five-site transferable interaction potential (TIP5P) for water [MW Mahoney and WL
Jorgensen, J. Chem. Phys. 112, 8910 (2000)] is most accurate at reproducing experimental …

Unusual hydrogen bonding in water-filled carbon nanotubes

O Byl, JC Liu, Y Wang, WL Yim… - Journal of the …, 2006 - ACS Publications
We present the first experimental vibrational spectroscopy study providing direct evidence of
a water phase inside single-walled carbon nanotubes that exhibits an unusual form of …

Current understanding of water properties inside carbon nanotubes

A Chatzichristos, J Hassan - Nanomaterials, 2022 - mdpi.com
Confined water inside carbon nanotubes (CNTs) has attracted a lot of attention in recent
years, amassing as a result a very large number of dedicated studies, both theoretical and …

Solid water clusters in the size range of tens–thousands of H2O: a combined computational/spectroscopic outlook

V Buch*, B Sigurd, J Paul Devlin, U Buck… - … Reviews in Physical …, 2004 - Taylor & Francis
A joint computational and experimental effort was directed towards the understanding of
large solid water clusters. The computations included structure optimizations and …

Confined water inside single-walled carbon nanotubes: Global phase diagram and effect of finite length

H Kyakuno, K Matsuda, H Yahiro, Y Inami… - The Journal of …, 2011 - pubs.aip.org
Studies on confined water are important not only from the viewpoint of scientific interest but
also for the development of new nanoscale devices. In this work, we aimed to clarify the …

Multiwalled ice helixes and ice nanotubes

J Bai, J Wang, XC Zeng - Proceedings of the National …, 2006 - National Acad Sciences
We report six phases of high-density nano-ice predicted to form within carbon nanotubes
(CNTs) at high pressure. High-density nano-ice self-assembled within smaller-diameter CNT …

Water-filled single-wall carbon nanotubes as molecular nanovalves

Y Maniwa, K Matsuda, H Kyakuno, S Ogasawara… - Nature materials, 2007 - nature.com
It is known that at low temperature, water inside single-wall carbon nanotubes (water–
SWNTs) undergoes a structural transition to form tube-like solid structures. The resulting ice …

Ferroelectric hexagonal and rhombic monolayer ice phases

WH Zhao, J Bai, LF Yuan, J Yang, XC Zeng - Chemical Science, 2014 - pubs.rsc.org
Two new phases of water, the mid-density hexagonal monolayer ice and the high-density
flat rhombic monolayer ice, are observed in our molecular dynamics simulations of …