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

Ghazanfari, Sarah; Alesadi, Amirhadi; Liao, Yangchao; Zhang, Yida; Xia, Wenjie

doi:10.1039/d3na00365e

Nanoscale Adv.

2023

DOI: 10.1039/d3na00365e

|View full text |Cite

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

Sarah Ghazanfari

Amirhadi Alesadi

Yangchao Liao

et al.

Abstract: This study explores the tensile behavior and dynamical heterogeneity of sodium montmorillonite under extreme conditions using molecular dynamics simulations, providing insights to advance the development of clay minerals for engineering applications.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2023

2024

Publication Types

Select...

Article5

Relationship

Self Cite0

Independent5

Authors

Journals

Cited by 6 publications

References 84 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Insight on molecular interactions in shrinkage of Na-montmorillonite clay by molecular dynamics simulation

Feng,

Al-Zaoari,

Chen

2024

Geomech. Geophys. Geo-energ. Geo-resour.

View full text Add to dashboard Cite

Expansive soils are known to be hazardous materials for infrastructure due to their high shrinking or swelling potential. Understanding the shrinking factors of expansive soils such as montmorillonite (MMT) is essential for predicting their mechanical properties. The interactions between the components of Na-MMT clays, e.g., MMT layer–layer (LL), layer–cation (LC), layer–water (LW) and water–cation (WC), are responsible for its shrinking behavior. In this study, molecular dynamics simulation and grand canonical Monte Carlo simulations are used to investigate the interaction energy evolution in the layered structure of Na-MMT for the shrinkage mechanisms analysis of clay. The results of simulation indicate that the magnitude of the interaction energy contributed by the interlayer cations dehydration is the driving force of the interlayer shrinkage. Furthermore, in the hydrated state, with one water layer, two water layers and three water layers, the attractive interactions between WC and LW, maintain the stability of the clay layers. However, at the dry state, the interaction energy between layers and cations appears to be the most essential component in holding the stacked layers together, which provides structural stability to the clay sheets. Finally, the study reveals that intermolecular interactions contribute to the mechanical properties of clays such as cohesive and elastic properties.

show abstract

Insight on molecular interactions in shrinkage of Na-montmorillonite clay by molecular dynamics simulation

Feng,

Al-Zaoari,

Chen

2024

Geomech. Geophys. Geo-energ. Geo-resour.

View full text Add to dashboard Cite

show abstract

New insight into the temperature effect on adsorption of cationic guar gum on halloysite – properties of the obtain systems

Godek,

Wasilewska,

Maciołek

et al. 2024

Chemical Engineering Research and Design

View full text Add to dashboard Cite

Mechanical properties of defective kaolinite in tension and compression: A molecular dynamics study

Xiao,

Chai,

et al. 2023

Applied Clay Science

View full text Add to dashboard Cite

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

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

Abstract: This study explores the tensile behavior and dynamical heterogeneity of sodium montmorillonite under extreme conditions using molecular dynamics simulations, providing insights to advance the development of clay minerals for engineering applications.

Cited by 6 publications

References 84 publications

Insight on molecular interactions in shrinkage of Na-montmorillonite clay by molecular dynamics simulation

Insight on molecular interactions in shrinkage of Na-montmorillonite clay by molecular dynamics simulation

New insight into the temperature effect on adsorption of cationic guar gum on halloysite – properties of the obtain systems

Mechanical properties of defective kaolinite in tension and compression: A molecular dynamics study

Contact Info

Product

Resources

About