The structure of water at a neutral interface

G. Aloisi; R. Guidelli; R. A. Jackson; S. M. Clark; P. Barnes

doi:10.1016/0022-0728(86)90262-7

The structure of water at a neutral interface

G. Aloisi^*, R. Guidelli, R. A. Jackson, S. M. Clark, P. Barnes

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

29 Citations (Scopus)

Abstract

The Monte Carlo method has been applied to water near a neutral planar surface. Waterwater interactions are described using the TIPS2 potential, and a novel simulation technique for obtaining better equilibrium averages is employed. At 25°C, water molecules adjacent to the surface are found to be oriented preferentially, giving rise to an inward +70 mV potential drop with respect to the wall.

Original language	English
Pages (from-to)	131-137
Number of pages	7
Journal	Journal of Electroanalytical Chemistry
Volume	206
Issue number	1-2
DOIs	https://doi.org/10.1016/0022-0728(86)90262-7
Publication status	Published - 10 Jul 1986
Externally published	Yes

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10.1016/0022-0728(86)90262-7

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title = "The structure of water at a neutral interface",

abstract = "The Monte Carlo method has been applied to water near a neutral planar surface. Waterwater interactions are described using the TIPS2 potential, and a novel simulation technique for obtaining better equilibrium averages is employed. At 25°C, water molecules adjacent to the surface are found to be oriented preferentially, giving rise to an inward +70 mV potential drop with respect to the wall.",

author = "G. Aloisi and R. Guidelli and Jackson, {R. A.} and Clark, {S. M.} and P. Barnes",

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AU - Aloisi, G.

AU - Guidelli, R.

AU - Jackson, R. A.

AU - Clark, S. M.

AU - Barnes, P.

PY - 1986/7/10

Y1 - 1986/7/10

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AB - The Monte Carlo method has been applied to water near a neutral planar surface. Waterwater interactions are described using the TIPS2 potential, and a novel simulation technique for obtaining better equilibrium averages is employed. At 25°C, water molecules adjacent to the surface are found to be oriented preferentially, giving rise to an inward +70 mV potential drop with respect to the wall.

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VL - 206

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JF - Journal of Electroanalytical Chemistry

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ER -

The structure of water at a neutral interface

Abstract

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