Molecular Dynamics Simulation of Diffusion and Electrical Conductivity in Montmorillonite Interlayers

CRC Handbook of Chemistry and Physics

(2014) · doi:10.1201/b17118 · Cited by 57,706 · see citing works

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Plimpton, S. (1995) · Journal of Computational Physics · doi:10.1006/jcph.1995.1039 · Cited by 44,721 · see citing works

The mathematics of diffusion

Park, G. S. (1975) · Polymer · doi:10.1016/0032-3861(75)90130-5 · Cited by 15,035 · see citing works

Crystal Structures of Clay Minerals and their X-Ray Identification

(1980) · Mineralogical Society of Great Britain and Ireland eBooks · doi:10.1180/mono-5 · Cited by 3,504 · see citing works

Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

Cygan, R. T., Liang, J.-J., & Kalinichev, A. G. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp0363287 · Cited by 3,244 · see citing works

Understanding Molecular Simulation

(2002) · doi:10.1016/b978-0-12-267351-1.x5000-7 · Cited by 2,042 · see citing works

Stabilization of As, Cr, Cu, Pb and Zn in soil using amendments–a review

Kumpiene, J., Lagerkvist, A., & Maurice, C. (2008) · Waste Management · doi:10.1016/j.wasman.2006.12.012 · Cited by 1,618 · see citing works

Computer simulations of NaCl association in polarizable water

Smith, D. E., & Dang, L. X. (1994) · The Journal of Chemical Physics · doi:10.1063/1.466363 · Cited by 1,178 · see citing works

Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C

Koneshan, S., Rasaiah, J. C., Lynden-Bell, R. M., & Lee, S. H. (1998) · The Journal of Physical Chemistry B · doi:10.1021/jp980642x · Cited by 965 · see citing works

Pressure and temperature dependence of self-diffusion in water

Krynicki, K., Green, C. D., & Sawyer, D. W. (1978) · Faraday Discussions of the Chemical Society · doi:10.1039/dc9786600199 · Cited by 747 · see citing works

Modern Electrochemistry 1

Bockris, J. O., & Reddy, A. K. N. (1998) · Springer eBooks · doi:10.1007/b114546 · Cited by 734 · see citing works

Long-term performance of contaminant barrier systems

Rowe, R. K. (2005) · Géotechnique · doi:10.1680/geot.2005.55.9.631 · Cited by 646 · see citing works

Investigation of smectite hydration properties by modeling experimental X-ray diffraction patterns: Part I. Montmorillonite hydration properties

Ferrage, E. (2005) · American Mineralogist · doi:10.2138/am.2005.1776 · Cited by 537 · see citing works

Hydrogen Bond Energy of the Water Dimer

Feyereisen, M. W., Feller, D. F., & Dixon, D. A. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp952860l · Cited by 536 · see citing works

A molecular dynamics simulation of a water model with intramolecular degrees of freedom

Teleman, O., Jönsson, B., & Engström, S. (1987) · Molecular Physics · doi:10.1080/00268978700100141 · Cited by 454 · see citing works

Computer Simulation of Interlayer Molecular Structure in Sodium Montmorillonite Hydrates

Chang, F.-R. C., Skipper, N. T., & Sposito, G. (1995) · Langmuir · doi:10.1021/la00007a064 · Cited by 332 · see citing works

Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl–CaCl2) solutions

Bourg, I. C., & Sposito, G. (2011) · Journal of Colloid and Interface Science · doi:10.1016/j.jcis.2011.04.063 · Cited by 309 · see citing works

Molecular Dynamics Simulations of Water Structure and Diffusion in Silica Nanopores

Bourg, I. C., & Steefel, C. I. (2012) · The Journal of Physical Chemistry C · doi:10.1021/jp301299a · Cited by 286 · see citing works

Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: A molecular dynamics modeling study

Wang, J., Kalinichev, A. G., & Kirkpatrick, R. J. (2005) · Geochimica et Cosmochimica Acta · doi:10.1016/j.gca.2005.10.006 · Cited by 274 · see citing works

Particle-Mesh Ewald and rRESPA for Parallel Molecular Dynamics Simulations.

Plimpton, S. J., Pollock, R. F., & Stevens, M. J. (1997) · Cited by 229 · see citing works

Molecular Dynamics Modeling of Ion Adsorption to the Basal Surfaces of Kaolinite

Vasconcelos, I. F., Bunker, B. A., & Cygan, R. T. (2007) · The Journal of Physical Chemistry C · doi:10.1021/jp065687+ · Cited by 211 · see citing works

Molecular Dynamics Simulations of Water and Sodium Diffusion in Smectite Interlayer Nanopores as a Function of Pore Size and Temperature

Holmboe, M., & Bourg, I. C. (2013) · The Journal of Physical Chemistry C · doi:10.1021/jp408884g · Cited by 211 · see citing works

Molecular Simulations of Swelling Clay Minerals

Tambach, T. J., Hensen, E. J. M., & Smit, B. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp049799h · Cited by 196 · see citing works

Fickian diffusion of radionuclides for engineered containment barriers: Diffusion coefficients, porosities, and complicating issues

Shackelford, C. D., & Moore, S. M. (2012) · Engineering Geology · doi:10.1016/j.enggeo.2012.10.014 · Cited by 176 · see citing works

Hydration Properties and Interlayer Organization of Water and Ions in Synthetic Na-Smectite with Tetrahedral Layer Charge. Part 2. Toward a Precise Coupling between Molecular Simulations and Diffraction Data

Ferrage, E., Sakharov, B. A., Michot, L. J., Delville, A., Bauer, A., Lanson, B., Grangeon, S., Frapper, G., Jiménez‐Ruiz, M., & Cuello, G. J. (2011) · The Journal of Physical Chemistry C · doi:10.1021/jp105128r · Cited by 172 · see citing works

Hysteresis in Clay Swelling Induced by Hydrogen Bonding: Accurate Prediction of Swelling States

Tambach, T. J., Bolhuis, P. G., Hensen, E. J. M., & Smit, B. (2005) · Langmuir · doi:10.1021/la051367q · Cited by 171 · see citing works

Na+–Na+ and Cl−–Cl− ion pairs in water: Mean force potentials by constrained molecular dynamics

Guàrdia, E., Rey, R., & Padró, J. À. (1991) · The Journal of Chemical Physics · doi:10.1063/1.460934 · Cited by 168 · see citing works

Application, chemistry, and environmental implications of contaminant-immobilization amendments on agricultural soil and water quality

Udeigwe, T. K., Eze, P. N., Teboh, J. M., & Stietiya, M. H. (2010) · Environment International · doi:10.1016/j.envint.2010.08.008 · Cited by 166 · see citing works

Water and ions in clays: Unraveling the interlayer/micropore exchange using molecular dynamics

Rotenberg, B., Marry, V., Vuilleumier, R., Malikova, N., Simon, C., & Turq, P. (2007) · Geochimica et Cosmochimica Acta · doi:10.1016/j.gca.2007.08.018 · Cited by 162 · see citing works

Water Structure and Aqueous Uranyl(VI) Adsorption Equilibria onto External Surfaces of Beidellite, Montmorillonite, and Pyrophyllite: Results from Molecular Simulations

Greathouse, J. A., & Cygan, R. T. (2006) · Environmental Science & Technology · doi:10.1021/es052522q · Cited by 161 · see citing works

Molecular dynamics simulation of uranyl(vi) adsorption equilibria onto an external montmorillonite surface

Greathouse, J. A., & Cygan, R. T. (2005) · Physical Chemistry Chemical Physics · doi:10.1039/b509307d · Cited by 157 · see citing works

A Thermodynamic Understanding of Clay‐Swelling Inhibition by Potassium Ions

Liu, X., & Lu, X. (2006) · Angewandte Chemie International Edition · doi:10.1002/anie.200601740 · Cited by 150 · see citing works

Properties of flexible water models

Wallqvist, A., & Teleman, O. (1991) · Molecular Physics · doi:10.1080/00268979100102391 · Cited by 146 · see citing works

Diffusion of Water in Clays on the Microscopic Scale: Modeling and Experiment

Malikova, N., Cadène, A., Marry, V., Dubois, E., & Turq, P. (2006) · The Journal of Physical Chemistry B · doi:10.1021/jp056954z · Cited by 141 · see citing works

Connecting the Molecular Scale to the Continuum Scale for Diffusion Processes in Smectite-Rich Porous Media

Bourg, I. C., & Sposito, G. (2010) · Environmental Science & Technology · doi:10.1021/es903645a · Cited by 139 · see citing works

Hydration and Mobility of Interlayer Ions of (Nax, Cay)-Montmorillonite: A Molecular Dynamics Study

Zhang, L., Lu, X., Liu, X., Zhou, J., & Zhou, H. (2014) · The Journal of Physical Chemistry C · doi:10.1021/jp508427c · Cited by 135 · see citing works

Mechanochemistry: A review of surface reactions and environmental applications

Nasser, A., & Mingelgrin, U. (2011) · Applied Clay Science · doi:10.1016/j.clay.2011.11.018 · Cited by 126 · see citing works

Nanoscale Elastic Properties of Montmorillonite upon Water Adsorption

Ebrahimi, D., Pellenq, R. J. ‐., & Whittle, A. J. (2012) · Langmuir · doi:10.1021/la302997g · Cited by 121 · see citing works

Self-Diffusion of Sodium Ions in Compacted Sodium Montmorillonite

Kozaki, T., Fujishima, A., Sato, S., & Ōhashi, H. (1998) · Nuclear Technology · doi:10.13182/nt98-a2819 · Cited by 117 · see citing works

Water Dynamics in Hectorite Clays: Infuence of Temperature Studied by Coupling Neutron Spin Echo and Molecular Dynamics

Marry, V., Dubois, E., Malikova, N., Durand-Vidal, S., Longeville, S., & Breu, J. (2011) · Environmental Science & Technology · doi:10.1021/es1031932 · Cited by 115 · see citing works

A Thermodynamic Understanding of Clay‐Swelling Inhibition by Potassium Ions

Liu, X., & Lu, X. (2006) · Angewandte Chemie · doi:10.1002/ange.200601740 · Cited by 112 · see citing works

Molecular Simulation of Structure and Diffusion at Smectite–Water Interfaces: Using Expanded Clay Interlayers as Model Nanopores

Greathouse, J. A., Hart, D. B., Bowers, G. M., Kirkpatrick, R. J., & Cygan, R. T. (2015) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b03314 · Cited by 110 · see citing works

On the driving force of cation exchange in clays: Insights from combined microcalorimetry experiments and molecular simulation

Rotenberg, B., Morel, J., Marry, V., Turq, P., & Morel‐Desrosiers, N. (2009) · Geochimica et Cosmochimica Acta · doi:10.1016/j.gca.2009.04.012 · Cited by 109 · see citing works

Structure, Energetics, and Dynamics of Smectite Clay Interlayer Hydration: Molecular Dynamics and Metadynamics Investigation of Na-Hectorite

Morrow, C. P., Yazaydın, A. Ö., Krishnan, M., Bowers, G. M., Kalinichev, A. G., & Kirkpatrick, R. J. (2013) · The Journal of Physical Chemistry C · doi:10.1021/jp312286g · Cited by 109 · see citing works

‘Geo’chemical research: A key building block for nuclear waste disposal safety cases

Altmann, S. W. (2008) · Journal of Contaminant Hydrology · doi:10.1016/j.jconhyd.2008.09.012 · Cited by 108 · see citing works

Mobility of Na and Cs on Montmorillonite Surface under Partially Saturated Conditions

Churakov, S. V. (2013) · Environmental Science & Technology · doi:10.1021/es401530n · Cited by 100 · see citing works

Neutron Time-of-Flight Quantification of Water Desorption Isotherms of Montmorillonite

Gates, W. P., Bordallo, H. N., Aldridge, L. P., Seydel, T., Jacobsen, H., Marry, V., & Churchman, G. J. (2012) · The Journal of Physical Chemistry C · doi:10.1021/jp2072815 · Cited by 90 · see citing works

Anisotropic Features of Water and Ion Dynamics in Synthetic Na- and Ca-Smectites with Tetrahedral Layer Charge. A Combined Quasi-elastic Neutron-Scattering and Molecular Dynamics Simulations Study

Michot, L. J., Ferrage, E., Jiménez‐Ruiz, M., Boehm, M., & Delville, A. (2012) · The Journal of Physical Chemistry C · doi:10.1021/jp304715m · Cited by 88 · see citing works

An ab Initio and Classical Molecular Dynamics Investigation of the Structural and Vibrational Properties of Talc and Pyrophyllite

Larentzos, J. P., Greathouse, J. A., & Cygan, R. T. (2007) · The Journal of Physical Chemistry C · doi:10.1021/jp072959f · Cited by 85 · see citing works

Anisotropy of Water Dynamics in Clays: Insights from Molecular Simulations for Experimental QENS Analysis

Marry, V., Dubois, E., Malikova, N., Breu, J., & Häußler, W. (2013) · The Journal of Physical Chemistry C · doi:10.1021/jp403501h · Cited by 82 · see citing works

Handbook of Electrochemical Constants.

Hackerman, N. (1960) · Journal of the American Chemical Society · doi:10.1021/ja01503a073 · Cited by 78 · see citing works

Geochemical evidence for efficient aquifer isolation over geological timeframes

Marty, B. M., Dewonck, S., & France‐Lanord, C. (2003) · Nature · doi:10.1038/nature01966 · Cited by 76 · see citing works

Membrane Behavior of Compacted Clay Liners

Kang, J.-B., & Shackelford, C. D. (2010) · Journal of Geotechnical and Geoenvironmental Engineering · doi:10.1061/(asce)gt.1943-5606.0000358 · Cited by 74 · see citing works

The performance of natural clay as a barrier to the diffusion of municipal solid waste landfill leachates

Cuevas, J., Ruiz, A. I., García, I. S. D. S., Sevilla, M. T., Procopio, J. R., da Silva, P., Gismera, M. J., Regadío, M., Jiménez, N. S., Rastrero, M. R., et al. (2011) · Journal of Environmental Management · doi:10.1016/j.jenvman.2011.02.014 · Cited by 63 · see citing works

Role of the interlayer space of montmorillonite in hydrocarbon generation: An experimental study based on high temperature–pressure pyrolysis

Yuan, P., Liu, H., Liu, D., Tan, D., Yan, W., & He, H. (2013) · Applied Clay Science · doi:10.1016/j.clay.2013.03.007 · Cited by 62 · see citing works

Temperature effect in a montmorillonite clay at low hydration—microscopic simulation

Malikova, N., Marry, V., Dufrêche, J., Simon, C., Turq, P., & Giffaut, É. (2004) · Molecular Physics · doi:10.1080/00268970412331290995 · Cited by 62 · see citing works

Implementation of a Morse potential to model hydroxyl behavior in phyllosilicates

Greathouse, J. A., Durkin, J. S., Larentzos, J. P., & Cygan, R. T. (2009) · The Journal of Chemical Physics · doi:10.1063/1.3103886 · Cited by 60 · see citing works

Geochemical behaviour of a bentonite barrier in the laboratory after up to 8 years of heating and hydration

Fernández, A. M., & Villar, M. V. (2010) · Applied Geochemistry · doi:10.1016/j.apgeochem.2010.03.001 · Cited by 58 · see citing works

Biodegradation and mineral weathering controls on bulk electrical conductivity in a shallow hydrocarbon contaminated aquifer

Atekwana, E. A., Atekwana, E. A., Legall, F. D., & Krishnamurthy, R. V. (2005) · Journal of Contaminant Hydrology · doi:10.1016/j.jconhyd.2005.06.009 · Cited by 49 · see citing works

Analysis of the FEBEX multi‐barrier system including thermoplasticity of unsaturated bentonite

Dupray, F., François, B., & Laloui, L. (2011) · International Journal for Numerical and Analytical Methods in Geomechanics · doi:10.1002/nag.1103 · Cited by 40 · see citing works

A review and comparison of fracture mineral investigations and their application to radioactive waste disposal

Blyth, A., Frape, S. K., & Tullborg, E. (2009) · Applied Geochemistry · doi:10.1016/j.apgeochem.2008.12.036 · Cited by 39 · see citing works

Nanoscale simulation of Na-Montmorillonite hydrate under basin conditions, application of CLAYFF force field in parallel GCMC

Shahriyari, R., Khosravi, A., & Ahmadzadeh, A. (2013) · Molecular Physics · doi:10.1080/00268976.2013.772666 · Cited by 39 · see citing works

Linking the Diffusion of Water in Compacted Clays at Two Different Time Scales: Tracer Through-Diffusion and Quasielastic Neutron Scattering

Sánchez, F. G., Gimmi, T., Jurànyi, F., Loon, L. R. V., & Diamond, L. W. (2009) · Environmental Science & Technology · doi:10.1021/es8035362 · Cited by 39 · see citing works

Diffusion of Interlayer Cations in Swelling Clays as a Function of Water Content: Case of Montmorillonites Saturated with Alkali Cations

Salles, F., Douillard, J.-M., Bildstein, O., Ghazi, S. E., Prélot, B., Zając, J., & Damme, H. V. (2015) · The Journal of Physical Chemistry C · doi:10.1021/jp512986d · Cited by 36 · see citing works

Triclinic muscovite; X-ray diffraction, neutron diffraction and photo-acoustic FTIR spectroscopy

Liang, J.-J., Hawthorne, F. C., & Swainson, I. P. (1998) · The Canadian Mineralogist · Cited by 21 · see citing works

Comparison of Three Small-Scale Devices for the Investigation of the Electrical Conductivity/Resistivity of Swelling and Other Clays

Kaufhold, S., Grissemann, C., Dohrmann, R., Klinkenberg, M., & Decher, A. (2014) · Clays and Clay Minerals · doi:10.1346/ccmn.2014.0620101 · Cited by 17 · see citing works

Molecular Dynamic Study of the Swelling Behavior of Na-Montmorillonite

Amarasinghe, P. M., & Anandarajah, A. (2013) · Environmental and Engineering Geoscience · doi:10.2113/gseegeosci.19.2.173 · Cited by 16 · see citing works

Fluid Dynamics of Oil—Water—Sand Systems

Nasr-El-Din, H. A. (1992) · Advances in chemistry series · doi:10.1021/ba-1992-0231.ch005 · Cited by 9 · see citing works

Determination of hydrate stability zone using electrical conductivity data of salt aqueous solution

Mohammadi, A. H., Martínez-López, J. F., & Richon, D. (2007) · Fluid Phase Equilibria · doi:10.1016/j.fluid.2007.01.006 · Cited by 8 · see citing works

Diffusion Behavior of Ca2+ Ions in Compacted Na-Montmorillonite

Kozaki, T., Adachi, Y., Inada, K., Sato, S., & Ōhashi, H. (2000) · MRS Proceedings · doi:10.1557/proc-663-629 · Cited by 5 · see citing works

Molecular-scale mechanisms of CO2 mineralization in nanoscale interfacial water films

Abdolhosseini Qomi, M. J., Miller, Q. R. S., Zare, S., Schaef, H. T., Kaszuba, J. P., & Rosso, K. M. (2022) · Nature Reviews Chemistry · doi:10.1038/s41570-022-00418-1 · Cited by 147 · see citing works

Effects of Layer-Charge Distribution of 2:1 Clay Minerals on Methane Hydrate Formation: A Molecular Dynamics Simulation Study

Li, Y., Chen, M., Liu, C., Song, H., Yuan, P., Zhang, B., Liu, D., & Du, P. (2020) · Langmuir · doi:10.1021/acs.langmuir.0c00183 · Cited by 83 · see citing works

Review of application of molecular dynamic simulations in geological high-level radioactive waste disposal

Ma, Z., Ranjith, P. G., Rathnaweera, T. D., & Kong, L. (2018) · Applied Clay Science · doi:10.1016/j.clay.2018.11.018 · Cited by 78 · see citing works

Molecular Simulation Study of Montmorillonite in Contact with Water

Li, Y., Nair, A. K. N., Kadoura, A., Yang, Y., & Sun, S. (2019) · Industrial & Engineering Chemistry Research · doi:10.1021/acs.iecr.8b05125 · Cited by 76 · see citing works

Hydrophobic Solvation of Gases (CO2, CH4, H2, Noble Gases) in Clay Interlayer Nanopores

Gadikota, G., Dazas, B., Rother, G., Cheshire, M. C., & Bourg, I. C. (2017) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.7b09768 · Cited by 68 · see citing works

Effects of layer-charge distribution on swelling behavior of mixed-layer illite-montmorillonite clays: A molecular dynamics simulation study

Ghasemi, M., & Sharifi, M. (2021) · Journal of Molecular Liquids · doi:10.1016/j.molliq.2021.116188 · Cited by 67 · see citing works

Molecular modeling of clay minerals: A thirty-year journey and future perspectives

Zhou, A., Du, J., Zaoui, A., Sekkal, W., & Sahimi, M. (2024) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2024.216347 · Cited by 61 · see citing works

Mechanism Associated with Kaolinite Intercalation with Urea: Combination of Infrared Spectroscopy and Molecular Dynamics Simulation Studies

Zhang, S., Liu, Q., Gao, F., Li, X., Liu, C., Li, H., Boyd, S. A., Johnston, C. T., & Teppen, B. J. (2016) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.6b10533 · Cited by 58 · see citing works

Adsorption at Nanoconfined Solid–Water Interfaces

Ilgen, A., Leung, K., Criscenti, L., & Greathouse, J. A. (2023) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-083022-030802 · Cited by 57 · see citing works

Layer Charge Effects on Adsorption and Diffusion of Water and Ions in Interlayers and on External Surfaces of Montmorillonite

Yang, Y., Nair, A. K. N., & Sun, S. (2019) · ACS Earth and Space Chemistry · doi:10.1021/acsearthspacechem.9b00236 · Cited by 57 · see citing works

Mineral- and Ion-Specific Effects at Clay–Water Interfaces: Structure, Diffusion, and Hydrodynamics

Simonnin, P. G., Marry, V., Nœtinger, B., Nieto‐Draghi, C., & Rotenberg, B. (2018) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.8b04259 · Cited by 55 · see citing works

Competitive Adsorption of Metal Ions at Smectite/Water Interfaces: Mechanistic Aspects, and Impacts of Co-Ions, Charge Densities, and Charge Locations

Yang, S., Li, X., Li, Q., Gu, P., Liu, X., & Yang, G. (2019) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.9b10341 · Cited by 55 · see citing works

Laboratory assessment of semi-permeable properties of a natural sodium bentonite

Dominijanni, A., Guarena, N., & Manassero, M. (2018) · Canadian Geotechnical Journal · doi:10.1139/cgj-2017-0599 · Cited by 54 · see citing works

Effect of layer charge on the crystalline swelling of Na+, K+ and Ca2+ montmorillonites: DFT and molecular dynamics studies

Seppälä, A., Puhakka, E., & Olin, M. (2016) · Clay Minerals · doi:10.1180/claymin.2016.051.2.07 · Cited by 53 · see citing works

Dielectric Properties of Water in Charged Nanopores

Underwood, T. R., & Bourg, I. C. (2022) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.1c09688 · Cited by 50 · see citing works

Coupling between clay swelling/collapse and cationic partition

Zhou, H., Chen, M., Zhu, R., Lu, X., Zhu, J., & He, H. (2020) · Geochimica et Cosmochimica Acta · doi:10.1016/j.gca.2020.07.007 · Cited by 50 · see citing works

Overview of the Adsorption and Transport Properties of Water, Ions, Carbon Dioxide, and Methane in Swelling Clays

Nair, A. K. N., Cui, R., & Sun, S. (2021) · ACS Earth and Space Chemistry · doi:10.1021/acsearthspacechem.1c00160 · Cited by 49 · see citing works

Confinement effects and mechanistic aspects for montmorillonite nanopores

Li, X., Zhu, C., Jia, Z., & Yang, G. (2018) · Journal of Colloid and Interface Science · doi:10.1016/j.jcis.2018.03.082 · Cited by 48 · see citing works

Molecular dynamics simulation of NH4-montmorillonite interlayer hydration: Structure, energetics, and dynamics

Peng, C., Wang, G., Qin, L., Luo, S., Min, F., & Zhu, X. (2020) · Applied Clay Science · doi:10.1016/j.clay.2020.105657 · Cited by 45 · see citing works

Surface-Catalyzed Oxygen Exchange during Mineral Carbonation in Nanoscale Water Films

Miller, Q. R. S., Dixon, D. A., Burton, S. D., Walter, E. D., Hoyt, D. W., McNeill, A. S., Moon, J. D., Thanthiriwatte, K. S., Ilton, E. S., Qafoku, O., et al. (2019) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.9b02215 · Cited by 42 · see citing works

Emerging investigator series: ion diffusivities in nanoconfined interfacial water films contribute to mineral carbonation thresholds

Miller, Q. R. S., Kaszuba, J. P., Kerisit, S. N., Schaef, H. T., Bowden, M. E., McGrail, B. P., & Rosso, K. M. (2020) · Environmental Science: Nano · doi:10.1039/c9en01382b · Cited by 41 · see citing works

Effect of temperature on the coupling transport of water and ions through a carbon nanotube in an electric field

Shabbir, S., Zhao, Y., Zhang, X., & Su, J. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0028077 · Cited by 38 · see citing works

Structural Implications of Interfacial Hydrogen Bonding in Hydrated Wyoming-Montmorillonite Clay

Subramanian, N., Whittaker, M., Ophus, C., & Lammers, L. N. (2020) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.9b11339 · Cited by 37 · see citing works

Molecular dynamics simulation of thermal, hydraulic, and mechanical properties of bentonite clay at 298 to 373 K

Zheng, X., Underwood, T. R., & Bourg, I. C. (2023) · Applied Clay Science · doi:10.1016/j.clay.2023.106964 · Cited by 35 · see citing works

Molecular dynamic study on structural and dynamic properties of water, counter-ions and polyethylene glycols in Na-montmorillonite interlayers

Zhang, M., Mao, H., & Jin, Z. (2020) · Applied Surface Science · doi:10.1016/j.apsusc.2020.147700 · Cited by 33 · see citing works

Dynamical Properties of Water and Ions at the Quartz (101)–Water Interface at a Range of Solution Conditions: A Classical Molecular Dynamics Study

Bouhadja, M., & Skelton, A. A. (2017) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.7b08214 · Cited by 32 · see citing works

Swelling of clay minerals: dual characteristics of K + ions and exploration of critical influencing factors

Li, X., Li, Q., Yang, S., & Yang, G. (2019) · Physical Chemistry Chemical Physics · doi:10.1039/c8cp07567k · Cited by 32 · see citing works

Effect of Layer Charge on CO2 and H2O Intercalations in Swelling Clays

Rao, Q., & Leng, Y. (2016) · Langmuir · doi:10.1021/acs.langmuir.6b02326 · Cited by 30 · see citing works

Classical Polarizable Force Field To Study Hydrated Charged Clays and Zeolites

Tesson, S., Louisfrema, W., Salanne, M., Boutin, A., Ferrage, E., Rotenberg, B., & Marry, V. (2018) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.8b06230 · Cited by 29 · see citing works

Influence of Polarizability on the Prediction of the Electrical Double Layer Structure in a Clay Mesopore: A Molecular Dynamics Study

Crom, S. L., Tournassat, C., Robinet, J.-C., & Marry, V. (2020) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.0c00190 · Cited by 29 · see citing works

Thermo-Osmosis in Charged Nanochannels: Effects of Surface Charge and Ionic Strength

Chen, W., Jivkov, A. P., & Sedighi, M. (2023) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.3c02559 · Cited by 28 · see citing works

Infrared Studies of Clay Mineral-Water Interactions

Johnston, C. T. (2017) · Developments in clay science · doi:10.1016/b978-0-08-100355-8.00009-6 · Cited by 28 · see citing works

A review of the migration of radioactive elements in clay minerals in the context of nuclear waste storage

Cailun, W., Myshkin, V. F., Khan, V. A., & Panamareva, A. N. (2022) · Journal of Radioanalytical and Nuclear Chemistry · doi:10.1007/s10967-022-08394-y · Cited by 28 · see citing works

Saturated aqueous NaCl solution and pure water in Na-montmorillonite clay at thermodynamic conditions of hydraulic fracturing: Thermodynamics, structure and diffusion from molecular simulations

Svoboda, M., Moučka, F., & Martin Lísal, A. (2018) · Journal of Molecular Liquids · doi:10.1016/j.molliq.2018.08.144 · Cited by 27 · see citing works

Elevated temperature effects (T > 100 °C) on the interfacial water and microstructure swelling of Na-montmorillonite

Chen, W., Sedighi, M., Curvalle, F., & Jivkov, A. P. (2024) · Chemical Engineering Journal · doi:10.1016/j.cej.2024.148647 · Cited by 26 · see citing works

Inhibition mechanism of cationic polyacrylamide on montmorillonite surface hydration: A molecular dynamics simulation study

Xu, J., Wang, X., Chen, J., Ding, T., & Xue, J. (2022) · Chemical Physics · doi:10.1016/j.chemphys.2022.111792 · Cited by 26 · see citing works

Nanoscale Prediction of the Thermal, Mechanical, and Transport Properties of Hydrated Clay on 106- and 1015-Fold Larger Length and Time Scales

Zheng, X., & Bourg, I. C. (2023) · ACS Nano · doi:10.1021/acsnano.3c05751 · Cited by 25 · see citing works

Cation hydration by confined water and framework-atoms have crucial role on thermodynamics of clay swelling

Adapa, S. K. R., & Malani, A. (2022) · Scientific Reports · doi:10.1038/s41598-022-21349-3 · Cited by 25 · see citing works

Mechanisms of Component Degradation and Multi-Scale Strategies for Predicting Composite Durability: Present and Future Perspectives

Rocha, P. R. F., Gonçalves, G. F., dos Reis, G., & Guedes, R. M. (2024) · Journal of Composites Science · doi:10.3390/jcs8060204 · Cited by 24 · see citing works

A molecular dynamics study on adsorption mechanisms of polar, cationic, and anionic polymers on montmorillonite

Qu, Y., Lin, L., Gao, S., Yang, Y., Huang, H., Li, X., Ren, H. T., & Luo, W. (2023) · RSC Advances · doi:10.1039/d2ra07341b · Cited by 23 · see citing works

Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations

Moučka, F., Svoboda, M., & Martin Lísal, A. (2017) · Physical Chemistry Chemical Physics · doi:10.1039/c7cp02121f · Cited by 23 · see citing works

Molecular dynamics simulation of electrolyte solutions confined by calcite mesopores

Santos, M. S., Castier, M., & Economou, I. G. (2019) · Fluid Phase Equilibria · doi:10.1016/j.fluid.2019.01.001 · Cited by 22 · see citing works

Low-cost and high-safety montmorillonite-based solid electrolyte for lithium metal batteries

Zhou, S., Han, Z., Wang, X., Liu, X., Hao, H., Xing, J., Dong, J., Liu, H., & Liao, L. (2024) · Applied Clay Science · doi:10.1016/j.clay.2024.107329 · Cited by 22 · see citing works

Classical Polarizable Force Field To Study Dry Charged Clays and Zeolites

Tesson, S., Louisfrema, W., Salanne, M., Boutin, A., Rotenberg, B., & Marry, V. (2017) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.7b00270 · Cited by 20 · see citing works

Modelling Hydration Swelling and Weakening of Montmorillonite Particles in Mudstone

Sun, C., Li, G., Sun, Y., He, J., & Rong, H. (2019) · Processes · doi:10.3390/pr7070428 · Cited by 20 · see citing works

Adsorption of Cesium at the External Surface of TOT Type Clay Mineral: Effect of the Interlayer Cation and the Hydrated State

Li, X., Liu, N., & Zhang, J. (2019) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.9b04035 · Cited by 20 · see citing works

Diffusion of confined fluids in microporous zeolites and clay materials

Mitra, S., Sharma, V. K., & Mukhopadhyay, R. (2021) · Reports on Progress in Physics · doi:10.1088/1361-6633/abf085 · Cited by 20 · see citing works

Water Structure Controls Carbonic Acid Formation in Adsorbed Water Films

Miller, Q. R. S., Ilton, E. S., Qafoku, O., Dixon, D. A., Vasiliu, M., Thompson, C. J., Schaef, H. T., Rosso, K. M., & Loring, J. S. (2018) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.8b02162 · Cited by 19 · see citing works

Influence of Water Saturation Level on Electrical Double Layer Properties in a Clay Mineral Mesopore: A Molecular Dynamics Study

Crom, S. L., Tournassat, C., Robinet, J.-C., & Marry, V. (2021) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.1c08637 · Cited by 19 · see citing works

Control of Structural Hydrophobicity and Cation Solvation on Interlayer Water Transport during Clay Dehydration

Ho, T. A., Coker, E. N., Jové-Colón, C. F., & Wang, Y. (2022) · Nano Letters · doi:10.1021/acs.nanolett.1c04609 · Cited by 19 · see citing works

Molecular-level insights into pH regulation of cation adsorption and exchange at clay particle edges

Yang, S., Liu, X., & Yang, G. (2022) · Applied Clay Science · doi:10.1016/j.clay.2022.106789 · Cited by 19 · see citing works

Molecular Simulation Study of Montmorillonite in Contact with Ethanol

Cui, R., Nair, A. K. N., Yang, Y., & Sun, S. (2023) · Industrial & Engineering Chemistry Research · doi:10.1021/acs.iecr.2c03903 · Cited by 18 · see citing works

Symmetry-Induced Stability in Alkali-Doped Calcium Silicate Hydrate

Özçelik, V. O., Garg, N., & White, C. E. (2019) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.9b04031 · Cited by 18 · see citing works

Effect of Layer Charge Characteristics on the Distribution Characteristics of H2O and Ca2+ in Ca-Montmorillonites Interlayer Space: Molecular Dynamics Simulation

Qiu, J., Li, G., Liu, D., Jiang, S. H., Wang, G., Chen, P., Zhu, X., Cao, X., & Lyu, X. (2019) · Materials · doi:10.3390/ma12142318 · Cited by 17 · see citing works

Molecular insight into inhibitory performance of CTAB surfactant for montmorillonite swelling; implications for drilling fluid design

Karimi, M., Ghasemi, M., Babaei, M., & Shahbazi, K. (2023) · Geoenergy Science and Engineering · doi:10.1016/j.geoen.2023.212399 · Cited by 16 · see citing works

Characterization of electrical properties of organic-rich shales at nano/micro scales

Wang, W., Li, J., Fan, M., & Abedi, S. (2017) · Marine and Petroleum Geology · doi:10.1016/j.marpetgeo.2017.06.021 · Cited by 16 · see citing works

Spectral induced polarization of low-pH cement and concrete

Leroy, P., Hördt, A., Gaboreau, S., Zimmermann, E., Claret, F., Bücker, M., Stebner, H., & Huisman, J. A. (2019) · Cement and Concrete Composites · doi:10.1016/j.cemconcomp.2019.103397 · Cited by 16 · see citing works

Molecular insights into the temperature and pressure dependence of mechanical behavior and dynamics of Na-montmorillonite clay

Ghazanfari, S., Alesadi, A., Liao, Y., Zhang, Y., & Xia, W. (2023) · Nanoscale Advances · doi:10.1039/d3na00365e · Cited by 15 · see citing works

A mechanistic model for the complex conductivity of clay materials. I. Theory

Leroy, P., Maineult, A., Mendieta, A., & Jougnot, D. (2024) · Geophysical Journal International · doi:10.1093/gji/ggae411 · Cited by 15 · see citing works

Ion exchange selectivity (Mg2+, Ca2+ and K+) in hydrated Na-montmorillonite: insights from molecular dynamic simulations

Huang, Y., & Zhang, Z. (2022) · Molecular Simulation · doi:10.1080/08927022.2022.2152062 · Cited by 14 · see citing works

A Coarse-Grained Interaction Model for Sodium Dominant Montmorillonite

Zhang, Y., Oestreicher, J., Binns, W. J., Briggs, S., Kim, C. S., & Béland, L. K. (2022) · Langmuir · doi:10.1021/acs.langmuir.2c02233 · Cited by 14 · see citing works

Infiltration of salt solutions through illite particles: Effect of nanochannel size and cation type

Tang, L., Li, X., Feng, H., Ma, C., Chang, Q. M., & Zhang, J. (2022) · Colloids and Surfaces A Physicochemical and Engineering Aspects · doi:10.1016/j.colsurfa.2022.128581 · Cited by 13 · see citing works

How Dry-Wet cycling regulates the adsorption of metal ions and disposal of hazardous metals at smectites interfaces

Liu, S., Yang, S., Liu, X., & Yang, G. (2021) · Applied Surface Science · doi:10.1016/j.apsusc.2021.150108 · Cited by 12 · see citing works

Interlayer cation effects on optical and dielectric properties of montmorillonite in terahertz frequency band

Hao, L., Zhou, S., Zheng, Z., Gao, C., Zhang, M., Zhang, T., Huang, H., Luo, B., & Liu, H. (2025) · Applied Clay Science · doi:10.1016/j.clay.2025.107857 · Cited by 11 · see citing works

Structure and performance of clay composite membranes with improved sodium conductivity for salinity gradient batteries

Boulif, N., Evers, R., Houben, M. H. J. M., Borneman, Z., & Nijmeijer, K. (2023) · Applied Clay Science · doi:10.1016/j.clay.2023.107136 · Cited by 10 · see citing works

Molecular dynamics of aqueous salt solutions in clay nanopores under the thermodynamic conditions of hydraulic fracturing: Interplay between solution structure and molecular diffusion

Planková, B., & Martin Lísal, A. (2019) · Fluid Phase Equilibria · doi:10.1016/j.fluid.2019.112355 · Cited by 10 · see citing works

Atomistic insights into clay swelling and its inhibition mechanisms: Role of environmental conditions, salts, and DTAC surfactants

Li, J., Liu, Z., Wang, H., Xiao, Y., Guo, F., Wang, X., Xin, Y., Zhao, W., & Leng, W. (2025) · Colloids and Surfaces A Physicochemical and Engineering Aspects · doi:10.1016/j.colsurfa.2025.138252 · Cited by 9 · see citing works

Review of Application of Molecular Simulation in Inhibiting Surface Hydration Expansion of Clay Minerals

Pingquan, W., Tao, T., Su, J., Qiurun, W., Ping, Y., & Bai, Y. (2022) · Chemistry and Technology of Fuels and Oils · doi:10.1007/s10553-022-01352-0 · Cited by 9 · see citing works

Molecular Dynamics Simulation of Pore-Size Effects on Gas Adsorption Kinetics in Zeolites

Greathouse, J. A., Paul, M., Xu, G., & Powell, M. D. (2023) · Clays and Clay Minerals · doi:10.1007/s42860-023-00231-x · Cited by 9 · see citing works

Mechanical properties and pore network connectivity of sodium montmorillonite as predicted by a coarse-grained molecular model

Zhang, Y., Opletal, G., Briggs, S., Binns, W. J., & Béland, L. K. (2023) · Applied Clay Science · doi:10.1016/j.clay.2023.107077 · Cited by 9 · see citing works

Molecular Dynamics Simulation of Clay Mineral–Water Interfaces: Temperature-Dependent Structural, Dynamical, and Mechanical Properties

Yang, T., Chu, C., Zhang, Y., Zhang, Z., & Wan, J. (2025) · Water · doi:10.3390/w17030347 · Cited by 8 · see citing works

Structural and dynamical properties of aqueous NaCl brines confined in kaolinite nanopores

Bui, K. Q., Barbosa, G. D., Le, T. T. B., Papavassiliou, D. V., Razavi, S., & Striolo, A. (2025) · The Journal of Chemical Physics · doi:10.1063/5.0251946 · Cited by 8 · see citing works

A mechanistic model for the complex conductivity of clay materials. II. Comparison to experimental data

Maineult, A., Leroy, P., Mendieta, A., & Jougnot, D. (2024) · Geophysical Journal International · doi:10.1093/gji/ggae428 · Cited by 8 · see citing works

Applications of NIR/MIR to Determine Site Occupancy in Smectites

Gates, W. P., Petit, S., & Madejová, J. (2017) · Developments in clay science · doi:10.1016/b978-0-08-100355-8.00007-2 · Cited by 8 · see citing works

Experimental and molecular modeling of the structure and electrical conductivity of bulk ionic aqueous solutions: Sodium, potassium, and lithium chloride

Amaro-Estrada, J. I., Salvatierra, J. C. V., Crisafulli, D. M., & Torres‐Verdín, C. (2025) · Journal of Molecular Liquids · doi:10.1016/j.molliq.2025.127687 · Cited by 7 · see citing works

Comparative Study on Cation Adsorption and Thermodynamic Characteristics of Clay Minerals in Electrolyte Solutions

Wu, J., Hu, H., Zhao, S., Li, Y., Zhao, K., Zhang, M., & Ding, B. (2025) · Surfaces · doi:10.3390/surfaces8040090 · Cited by 5 · see citing works

Selective adsorption and release of the ammonium ion (NH4+) at smectites/water interfaces

Yang, S., & Yang, G. (2024) · Separation and Purification Technology · doi:10.1016/j.seppur.2024.126662 · Cited by 5 · see citing works

Elucidating Wettability Alteration on Clay Surface Contacting Mixed Electrolyte Solution: Implications to Low-Salinity Waterflooding

de Araujo, I. S., & Heidari, Z. (2024) · SPE Journal · doi:10.2118/223629-pa · Cited by 5 · see citing works

Preferential interlayer adsorption sites in phyllosilicate clay edge models by molecular dynamics simulation

Ullberg, R. S., Ta, A. T., & Phillpot, S. R. (2024) · Applied Clay Science · doi:10.1016/j.clay.2024.107401 · Cited by 5 · see citing works

Recent advances in molecular simulations of clays: From slit pore to clay matrix nanopore

Pang, J., Li, Q., Liang, Y., & Tsuji, T. (2025) · Advances in Colloid and Interface Science · doi:10.1016/j.cis.2025.103767 · Cited by 4 · see citing works

Advancement of energy efficiency and stability of vanadium redox flow batteries by altering structure–function of methylated clay composite membranes

Deep, S. C., Someash, S. V., Prasad, S. V., Abinandha, R. N., & Arthanareeswaran, G. (2025) · Journal of Energy Storage · doi:10.1016/j.est.2025.119492 · Cited by 4 · see citing works

Determination of the Bentonite Content in Molding Sands Using AI-Enhanced Electrical Impedance Spectroscopy

Ma, X., Fischerauer, A., Haacke, S., & Fischerauer, G. (2024) · Sensors · doi:10.3390/s24248111 · Cited by 4 · see citing works

Modeling the adsorption of metal ions at clay minerals/water interfaces

Yang, S., & Yang, G. (2022) · Elsevier eBooks · doi:10.1016/b978-0-323-85669-0.00051-9 · Cited by 4 · see citing works

Investigating the effect of Cu 2+ sorption in montmorillonite using density functional theory and molecular dynamics simulations

Pedram, Y., Zhang, Y., Briggs, S., Kim, C. S., Brochard, L., Kalinichev, A. G., & Béland, L. K. (2024) · Computational Materials Science · doi:10.1016/j.commatsci.2024.113554 · Cited by 3 · see citing works

Physical insights into uranyl diffusion and sorption in bentonite: Theoretical and molecular dynamics study

Zhang, J., Mallants, D., Clennell, M. B., & Dewhurst, D. N. (2024) · Applied Clay Science · doi:10.1016/j.clay.2024.107387 · Cited by 3 · see citing works

Dynamics of ion depletion in thin brine films

Fang, C., Sun, S., & Qiao, R. (2021) · Fuel · doi:10.1016/j.fuel.2021.121758 · Cited by 3 · see citing works

First-principle study of electronic structure of montmorillonite at high pressure

Fang, Z., Gou, K., Mo, M., Zeng, J., He, H., Zhou, X., & Li, H. (2020) · Modern Physics Letters B · doi:10.1142/s0217984920502632 · Cited by 3 · see citing works

Effect of layer charge on the structural and dynamic properties of Cs+ in montmorillonite: A molecular dynamics study

Chen, Z., Liang, J., Gao, L., Zhang, J., Zhao, Y., Wang, Y., Yu, C., Wu, Y., & Wu, T. (2025) · Computational Materials Science · doi:10.1016/j.commatsci.2025.114112 · Cited by 2 · see citing works

Detection of hydration and ion transport in Na-montmorillonite interlayer by terahertz time-domain spectroscopy

Zheng, Z., Zhou, S., Hao, L., Zhang, M., Zhang, T., Huang, H., & Liu, H. (2025) · Infrared Physics & Technology · doi:10.1016/j.infrared.2025.106021 · Cited by 2 · see citing works

Hydration and Applied Electric Field Effects on the Structure, Dynamics, and Conductivity of Aqueous Electrolytes at the (104) Calcite Interface

Underwood, T. R., Kerisit, S., & Rosso, K. M. (2025) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5c01788 · Cited by 2 · see citing works

Solid Poly(2-alkyl/aryl-2-oxazoline) Electrolytes: A Molecular Dynamics Study of Structure and Ionic Conductivity

Amirhaghian, N., Ozlek, M., Seven, S. A., Yıldız, M., Cebeci, F. Ç., & Dizman, B. (2025) · ACS Applied Energy Materials · doi:10.1021/acsaem.5c02805 · Cited by 2 · see citing works

Hydration, temperature, and loading paths effect on mechanical and stress relaxation behavior of montmorillonite clay: an MD study

He, Z., Wei, P., Lourenço, S. D. N., & Jiao, Y.-Y. (2026) · Canadian Geotechnical Journal · doi:10.1139/cgj-2025-1025 · Cited by 2 · see citing works

Microscopic Distribution of Chemical Constituents in the Interlayer Space of OTAC Intercalated Montmorillonite Complex:Molecular Simulation Study

Qiu, J., Liu, D., Chen, G., Wang, Y., Jiang, S. H., Wu, P. F., Wang, G., & Lyu, X. (2020) · ChemistrySelect · doi:10.1002/slct.202001819 · Cited by 2 · see citing works

Structure-activity relationship of modified montmorillonite for treating polluted water

Liu, D., Niu, C., Wang, K., Zhang, Z., Zhao, T., Wu, C., Guo, Y., Ma, Y., & Chen, F. (2026) · Materials Chemistry and Physics · doi:10.1016/j.matchemphys.2026.132155 · Cited by 1 · see citing works

Fundamental and Application Researches of Several Kinds of Clay Minerals

Guocheng, L., Liu, H., Zhou, Y., Liu, X., & Liao, L. (2024) · Acta Mineralogica Sinica · doi:10.3724/j.1000-4734.2024.44.042 · Cited by 1 · see citing works

Molecular simulation of interfacial reaction between TiAl alloy melts and different coatings

Sui, Y., Cheng, C., Feng, K., Qi, J., He, Y., Wei, F., Meng, Q., & Sun, Z. P. (2017) · China Foundry · doi:10.1007/s41230-017-6045-y · Cited by 1 · see citing works

A Molecular Dynamics Simulation Study of Fe-Containing Palygorskite

Lu, Z., Zhou, J., & Lu, X. (2021) · Clays and Clay Minerals · doi:10.1007/s42860-021-00144-7 · Cited by 1 · see citing works

Un champ de force polarisable pour l'étude des argiles à l'échelle moléculaire

Tesson, S. (2016) · doi:10.70675/85a7324cz2b48z491cz9765zb7c782ec87d1 · Cited by 1 · see citing works

Computational exploration of water adsorption and proton conduction in porous materials

Mileo, P. G. M. (2018) · doi:10.70675/ca6def3az6fccz4f6bzbe98ze8a01895ec3b · Cited by 1 · see citing works

Bibliography

(2017) · Developments in clay science · doi:10.1016/b978-0-08-100355-8.09989-6

How water and counterions diffuse into the hydrated montmorillonite

Zheng, Y., & Zaoui, A. (2011) · Solid State Ionics · doi:10.1016/j.ssi.2011.09.020 · Cited by 86 · see citing works

Diffusion of Na and Cs in montmorillonite

Kosakowski, G., Churakov, S. V., & Thoenen, T. (2008) · Clays and Clay Minerals · doi:10.1346/ccmn.2008.0560205 · Cited by 115 · see citing works

Molecular dynamic simulation of interlayer water structure in Na-montmorillonite

Kuang, L., Guoqing, Z., & Zhao, X. (2013) · Meitan xuebao · Cited by 8 · see citing works

Layer Charge Effects on Adsorption and Diffusion of Water and Ions in Interlayers and on External Surfaces of Montmorillonite

Yang, Y., Nair, A. K. N., & Sun, S. (2019) · ACS Earth and Space Chemistry · doi:10.1021/acsearthspacechem.9b00236 · Cited by 57 · see citing works

Temperature effects on the diffusion of water and monovalent counterions in the hydrated montmorillonite

Zheng, Y., & Zaoui, A. (2013) · Physica A Statistical Mechanics and its Applications · doi:10.1016/j.physa.2013.07.019 · Cited by 47 · see citing works