Swelling properties of smectite up to 90°C In situ X-ray diffraction experiments and molecular dynamic simulations

Katsuyuki Kawamura; Y. Ichikawa; M. Nakano; K. Kitayama; H. Kawamura

doi:10.1016/S0013-7952(99)00063-0

Swelling properties of smectite up to 90°C In situ X-ray diffraction experiments and molecular dynamic simulations

Katsuyuki Kawamura, Y. Ichikawa, M. Nakano, K. Kitayama, H. Kawamura

Research output: Contribution to journal › Conference article › peer-review

29 Citations (Scopus)

Abstract

X-ray diffraction profiles were observed using a θ-θ type goniometer with a hand-made sample chamber for controlling the vapour pressure of H₂O up to the saturated vapour pressure of H₂O and temperatures up to 100°C. The obtained profiles for temperatures of 50, 70 and 90°C show the nearly stepwise swelling properties at these temperatures. The transformation P(H₂O) values were determined for one to two and two to three layers of interlayer water molecules. Using molecular dynamic simulations the structural and energy properties were discussed for swelling behaviours.

Original language	English
Pages (from-to)	75-79
Number of pages	5
Journal	Engineering Geology
Volume	54
Issue number	1-2
DOIs	https://doi.org/10.1016/S0013-7952(99)00063-0
Publication status	Published - Sept 1999
Externally published	Yes
Event	Proceedings of the 1998 Symposium on Microstructural Modelling of Natural and Artificially Prepared Clay Soils with Special Emphasis on the Use of Clays for Waste Isoaltion - Lund, Swed Duration: Oct 12 1998 → Oct 14 1998

Keywords

Clay mineral
In situ measurement
Molecular dynamic simulation
Swelling property
X-ray diffraction

ASJC Scopus subject areas

Geotechnical Engineering and Engineering Geology
Geology

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10.1016/S0013-7952(99)00063-0

Cite this

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title = "Swelling properties of smectite up to 90°C In situ X-ray diffraction experiments and molecular dynamic simulations",

abstract = "X-ray diffraction profiles were observed using a θ-θ type goniometer with a hand-made sample chamber for controlling the vapour pressure of H2O up to the saturated vapour pressure of H2O and temperatures up to 100°C. The obtained profiles for temperatures of 50, 70 and 90°C show the nearly stepwise swelling properties at these temperatures. The transformation P(H2O) values were determined for one to two and two to three layers of interlayer water molecules. Using molecular dynamic simulations the structural and energy properties were discussed for swelling behaviours.",

keywords = "Clay mineral, In situ measurement, Molecular dynamic simulation, Swelling property, X-ray diffraction",

author = "Katsuyuki Kawamura and Y. Ichikawa and M. Nakano and K. Kitayama and H. Kawamura",

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publisher = "Elsevier",

number = "1-2",

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TY - JOUR

T1 - Swelling properties of smectite up to 90°C In situ X-ray diffraction experiments and molecular dynamic simulations

AU - Kawamura, Katsuyuki

AU - Ichikawa, Y.

AU - Nakano, M.

AU - Kitayama, K.

AU - Kawamura, H.

PY - 1999/9

Y1 - 1999/9

N2 - X-ray diffraction profiles were observed using a θ-θ type goniometer with a hand-made sample chamber for controlling the vapour pressure of H2O up to the saturated vapour pressure of H2O and temperatures up to 100°C. The obtained profiles for temperatures of 50, 70 and 90°C show the nearly stepwise swelling properties at these temperatures. The transformation P(H2O) values were determined for one to two and two to three layers of interlayer water molecules. Using molecular dynamic simulations the structural and energy properties were discussed for swelling behaviours.

AB - X-ray diffraction profiles were observed using a θ-θ type goniometer with a hand-made sample chamber for controlling the vapour pressure of H2O up to the saturated vapour pressure of H2O and temperatures up to 100°C. The obtained profiles for temperatures of 50, 70 and 90°C show the nearly stepwise swelling properties at these temperatures. The transformation P(H2O) values were determined for one to two and two to three layers of interlayer water molecules. Using molecular dynamic simulations the structural and energy properties were discussed for swelling behaviours.

KW - Clay mineral

KW - In situ measurement

KW - Molecular dynamic simulation

KW - Swelling property

KW - X-ray diffraction

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DO - 10.1016/S0013-7952(99)00063-0

M3 - Conference article

AN - SCOPUS:0033200217

SN - 0013-7952

VL - 54

SP - 75

EP - 79

JO - Engineering Geology

JF - Engineering Geology

IS - 1-2

T2 - Proceedings of the 1998 Symposium on Microstructural Modelling of Natural and Artificially Prepared Clay Soils with Special Emphasis on the Use of Clays for Waste Isoaltion

Y2 - 12 October 1998 through 14 October 1998

ER -

Swelling properties of smectite up to 90°C In situ X-ray diffraction experiments and molecular dynamic simulations

Abstract

Keywords

ASJC Scopus subject areas

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