Hydration Structure and Shear Viscosity of Water Nanoconfined Between Mica Surfaces

Yongsheng Leng; Peter T. Cummings

doi:10.1115/fedsm2006-98468

Hydration Structure and Shear Viscosity of Water Nanoconfined Between Mica Surfaces

Yongsheng Leng^*, Peter T. Cummings

^*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

2 Citations (Scopus)

Abstract

Molecular dynamics (MD) simulations have been performed to investigate the structure, shear viscosity and dynamics of hydration layers of the thickness of D = 0.61 ∼ 2.44 nm confined between two mica surfaces. For D = 0.92 ∼ 2.44 nm films, water O density distributions indicate that the hydration layers are in liquid phase. The corresponding shear responses are fluidic and similar to those observed in surface force balance (SFB) experiment. However, further increase in confinement leads to the formation of a bilayer ice (D = 0.61 nm) which shows significant shear enhancement and shear thinning over a wide range of shear rate in MD regime, consistent with recent experimental results by shear resonant apparatus for the two mica surfaces in registry.

Original language	English
Title of host publication	Conference Proceeding Fluids Engineering Division Summer Meeting
Publisher	American Society of Mechanical Engineers
Pages	505-510
Number of pages	6
ISBN (Print)	0791847500, 9780791847503, 0791847519
DOIs	https://doi.org/10.1115/fedsm2006-98468
Publication status	Published - 5 Sept 2006
Event	ASME 2006 2nd Joint U.S. - European Fluids Engineering Summer Meeting Collocated With the 14th International Conference on Nuclear Engineering - Miami, United States Duration: 17 Jul 2006 → 20 Jul 2006

Conference

Conference	ASME 2006 2nd Joint U.S. - European Fluids Engineering Summer Meeting Collocated With the 14th International Conference on Nuclear Engineering
Country/Territory	United States
City	Miami
Period	17/07/06 → 20/07/06

Keywords

Molecular dynamics simulation
Nanoconfined aqueous system
Shear viscosity

ASJC Scopus subject areas

General Engineering

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10.1115/fedsm2006-98468

Cite this

@inproceedings{3786b475d6304e80b2961dc7442de8d5,

title = "Hydration Structure and Shear Viscosity of Water Nanoconfined Between Mica Surfaces",

abstract = "Molecular dynamics (MD) simulations have been performed to investigate the structure, shear viscosity and dynamics of hydration layers of the thickness of D = 0.61 ∼ 2.44 nm confined between two mica surfaces. For D = 0.92 ∼ 2.44 nm films, water O density distributions indicate that the hydration layers are in liquid phase. The corresponding shear responses are fluidic and similar to those observed in surface force balance (SFB) experiment. However, further increase in confinement leads to the formation of a bilayer ice (D = 0.61 nm) which shows significant shear enhancement and shear thinning over a wide range of shear rate in MD regime, consistent with recent experimental results by shear resonant apparatus for the two mica surfaces in registry.",

keywords = "Molecular dynamics simulation, Nanoconfined aqueous system, Shear viscosity",

author = "Yongsheng Leng and Cummings, \{Peter T.\}",

year = "2006",

month = sep,

day = "5",

doi = "10.1115/fedsm2006-98468",

language = "English",

isbn = "0791847500",

pages = "505--510",

booktitle = "Conference Proceeding Fluids Engineering Division Summer Meeting",

publisher = "American Society of Mechanical Engineers",

address = "United States",

note = "ASME 2006 2nd Joint U.S. - European Fluids Engineering Summer Meeting Collocated With the 14th International Conference on Nuclear Engineering ; Conference date: 17-07-2006 Through 20-07-2006",

}

Leng, Y & Cummings, PT 2006, Hydration Structure and Shear Viscosity of Water Nanoconfined Between Mica Surfaces. in Conference Proceeding Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers, pp. 505-510, ASME 2006 2nd Joint U.S. - European Fluids Engineering Summer Meeting Collocated With the 14th International Conference on Nuclear Engineering, Miami, Florida, United States, 17/07/06. https://doi.org/10.1115/fedsm2006-98468

TY - GEN

T1 - Hydration Structure and Shear Viscosity of Water Nanoconfined Between Mica Surfaces

AU - Leng, Yongsheng

AU - Cummings, Peter T.

PY - 2006/9/5

Y1 - 2006/9/5

N2 - Molecular dynamics (MD) simulations have been performed to investigate the structure, shear viscosity and dynamics of hydration layers of the thickness of D = 0.61 ∼ 2.44 nm confined between two mica surfaces. For D = 0.92 ∼ 2.44 nm films, water O density distributions indicate that the hydration layers are in liquid phase. The corresponding shear responses are fluidic and similar to those observed in surface force balance (SFB) experiment. However, further increase in confinement leads to the formation of a bilayer ice (D = 0.61 nm) which shows significant shear enhancement and shear thinning over a wide range of shear rate in MD regime, consistent with recent experimental results by shear resonant apparatus for the two mica surfaces in registry.

AB - Molecular dynamics (MD) simulations have been performed to investigate the structure, shear viscosity and dynamics of hydration layers of the thickness of D = 0.61 ∼ 2.44 nm confined between two mica surfaces. For D = 0.92 ∼ 2.44 nm films, water O density distributions indicate that the hydration layers are in liquid phase. The corresponding shear responses are fluidic and similar to those observed in surface force balance (SFB) experiment. However, further increase in confinement leads to the formation of a bilayer ice (D = 0.61 nm) which shows significant shear enhancement and shear thinning over a wide range of shear rate in MD regime, consistent with recent experimental results by shear resonant apparatus for the two mica surfaces in registry.

KW - Molecular dynamics simulation

KW - Nanoconfined aqueous system

KW - Shear viscosity

UR - https://www.scopus.com/pages/publications/33846997958

U2 - 10.1115/fedsm2006-98468

DO - 10.1115/fedsm2006-98468

M3 - Conference contribution

AN - SCOPUS:33846997958

SN - 0791847500

SN - 9780791847503

SN - 0791847519

SP - 505

EP - 510

BT - Conference Proceeding Fluids Engineering Division Summer Meeting

PB - American Society of Mechanical Engineers

T2 - ASME 2006 2nd Joint U.S. - European Fluids Engineering Summer Meeting Collocated With the 14th International Conference on Nuclear Engineering

Y2 - 17 July 2006 through 20 July 2006

ER -

Hydration Structure and Shear Viscosity of Water Nanoconfined Between Mica Surfaces

Abstract

Conference

Keywords

ASJC Scopus subject areas

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