Sorption of chemicals onto soil particle surfaces is an important process controlling their
availability for uptake by organisms and loss from soils to ground and surface waters. The …

As a general-purpose force field for molecular simulations of layered materials and their fluid
interfaces, Clayff continues to see broad usage in atomistic computational modeling for …

The ubiquitous presence of poly-and perfluoroalkyl substances (PFAS) in different natural
settings poses a serious threat to environmental and human health. Soils and sediments …

The molecular-scale adsorption mechanism of heavy metal ions in the interlayer and
nanopore regions of montmorillonite (MMT) were investigated by molecular dynamics …

We report new molecular dynamics results elucidating the structure of the electrical double
layer (EDL) on smectite surfaces contacting mixed NaCl–CaCl 2 electrolyte solutions in the …

Acid–base chemistry of clay minerals is central to their interfacial properties, but up to now a
quantitative understanding on the surface acidity is still lacking. In this study, with first …

In the wake of Chernobyl and Fukushima accidents, radiocesium has become a
radionuclide of most environmental concern. The ease with which this radionuclide moves …

Hydrogen is a green energy carrier, which appears to reshape the current energy supply
chain. To develop a full-scale hydrogen supply chain, underground hydrogen storage has …

A sound knowledge of the effects of clay surfaces and salt ions on CH4 hydrate formation is
vital to understand the formation of natural gas hydrate resources and develop hydrate …

Understanding the wettability of clay mineral surfaces is crucial for enhancing oil recovery,
investigating primary migration of hydrocarbon, and evaluating the performance of sealing …