Influence of layer charge and charge location on the swelling pressure of dioctahedral smectites

被引：40
作者：
Sun, Linlin [1 ]
Ling, Chian Ye [1 ]
Lavikainen, Lasse P. [1 ]
Hirvi, Janne T. [1 ]
Kasa, Seppo [2 ]
Pakkanen, Tapani A. [1 ]
机构：
[1] Univ Eastern Finland, Dept Chem, POB 111, FI-80101 Joensuu, Finland
[2] Posiva Oy, FI-27160 Olkiluoto, Eurajoki, Finland
来源：
CHEMICAL PHYSICS | 2016年 / 473卷
关键词：
Swelling pressure; Smectite; Montmorillonite; Beidellite; Molecular dynamics; Simulations; MOLECULAR-DYNAMICS; MONTE-CARLO; COMPACTED BENTONITES; MONTMORILLONITE; CLAY; WATER; HYDRATION; CATION; SIMULATION; SYSTEMS;
D O I：
10.1016/j.chemphys.2016.05.002
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Swelling pressure of dioctahedral smectites in the montmorillonite - beidellite series was investigated by molecular dynamics simulations. The pressure was found to correlate inversely with the magnitude of the layer charge in the range of -0.5 to -1.0 per unit cell. The beidellite type smectites were found to have lower swelling pressure than the montmorillonite type smectites. A clear effect of the type of interlayer cations on the swelling pressure was found. The sodium smectites sustained significant pressure even at longer interlayer distances, while in calcium smectites the pressure decreased soon after the initial swelling. The simulation results are in good agreement with experimental observations and provide a tool for predicting macroscopic swelling behavior in smectites. (C) 2016 Elsevier B.V. All rights reserved.
引用
收藏
页码：40 / 45
页数：6
相关论文
共 50 条
[41]   Effect of layer charge on the structural and dynamic properties of Cs plus in montmorillonite: A molecular dynamics study [J].
Chen, Zhongcun ;
Liang, Junqin ;
Gao, Linfeng ;
Zhang, Jun ;
Zhao, Yaolin ;
Wang, Yuqi ;
Yu, Chenxi ;
Wu, Yufei ;
Wu, Tao .
COMPUTATIONAL MATERIALS SCIENCE, 2025, 258
[42]   The influence of structural Fe, Al and Mg on the infrared OH bands in spectra of dioctahedral smectites [J].
Bishop, J ;
Madejová, J ;
Komadel, P ;
Fröschl, H .
CLAY MINERALS, 2002, 37 (04) :607-616
[43]   Driving force for the swelling of montmorillonite as affected by surface charge and exchangeable cations: A molecular dynamic study [J].
Peng, Jianfei ;
Yi, Hao ;
Song, Shaoxian ;
Zhan, Weiquan ;
Zhao, Yunliang .
RESULTS IN PHYSICS, 2019, 12 :113-117
[44]   LAYER CHARGE CHARACTERISTICS OF SMECTITES IN SALT-AFFECTED SOILS IN ALBERTA, CANADA [J].
KOHUT, CK ;
DUDAS, MJ .
CLAYS AND CLAY MINERALS, 1995, 43 (01) :78-84
[45]   Influence of mineralogical and morphological properties on the cation exchange behavior of dioctahedral smectites [J].
Delavernhe, L. ;
Steudel, A. ;
Darbha, G. K. ;
Schaefer, T. ;
Schuhmann, R. ;
Woell, C. ;
Geckeis, H. ;
Emmerich, K. .
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2015, 481 :591-599
[46]   CO2 Adsorption Enhanced by Tuning the Layer Charge in a Clay Mineral [J].
Hunvik, Kristoffer W. Bo ;
Loch, Patrick ;
Wallacher, Dirk ;
Kirch, Alexsandro ;
Cavalcanti, Leide P. ;
Riess, Martin ;
Daab, Matthias ;
Josvanger, Vegard ;
Graetz, Sven ;
Yokaichiya, Fabiano ;
Knudsen, Kenneth Dahl ;
Miranda, Caetano Rodrigues ;
Breu, Josef ;
Fossum, Jon Otto .
LANGMUIR, 2021, 37 (49) :14491-14499
[47]   Molecular Dynamics Study of the Effect of Layer Charge and Interlayer Cations on Swelling of Mixed-Layer Chlorite-Montmorillonite Clays [J].
Rahromostaqim, Mahsa ;
Sahimi, Muhammad .
JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 124 (04) :2553-2561
[48]   Structural and dynamical properties of ionic liquids: The influence of charge location [J].
Spohr, H. V. ;
Patey, G. N. .
JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (10)
[49]   Change in layer charge of smectites and smectite layers in illite/smectite during diagenetic alteration [J].
Sato, T ;
Murakami, T ;
Watanabe, T .
CLAYS AND CLAY MINERALS, 1996, 44 (04) :460-469
[50]   Adsorption of poly(ethylene oxide) on smectite: Effect of layer charge [J].
Su, Chia-Chi ;
Shen, Yun-Hwei .
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2009, 332 (01) :11-15
12345