ArticleThe journal of physical chemistry. C, Nanomaterials and interfaces2022
Long-Range Ionic and Short-Range Hydration Effects Govern Strongly Anisotropic Clay Nanoparticle Interactions.
Article in The journal of physical chemistry. C, Nanomaterials and interfaces, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
3 citing papers in PubMed, 17 citations in OpenAlex.
- Compositional Complexity in High-Entropy Oxides Optimizes Colloidal Stability and Pool Boiling Heat Transfer.Precision chemistry · 2026Article
- Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions.Journal of chemical theory and computation · 2024Article
- Upcoming Transformations in Integrated Energy/Chemicals Sectors: Some Challenges and Several Opportunities.The journal of physical chemistry. C, Nanomaterials and interfaces · 2022Review
Corrections and comments
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Authors and funding
9 authors at 4 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The aggregation of clay particles in aqueous solution is a ubiquitous everyday process of broad environmental and technological importance. However, it is poorly understood at the all-important atomistic level since it depends on a complex and dynamic interplay of solvent-mediated electrostatic, hydrogen bonding, and dispersion interactions. With this in mind, we have performed an extensive set of classical molecular dynamics simulations (included enhanced sampling simulations) on the interactions between model kaolinite nanoparticles in pure and salty water. Our simulations reveal highly anisotropic behavior, in which the interaction between the nanoparticles varies from attractive to repulsive depending on the relative orientation of the nanoparticles. Detailed analysis reveals that at large separation (>1.5 nm), this interaction is dominated by electrostatic effects, whereas at smaller separations, the nature of the water hydration structure becomes critical. This study highlights an incredible richness in how clay nanoparticles interact, which should be accounted for in, for example, coarse-grained models of clay nanoparticle aggregation.
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.