Molecular-level understanding of metal ion retention in clay-rich materials

X Liu, C Tournassat, S Grangeon… - Nature Reviews Earth & …, 2022 - nature.com
Clay minerals retain or adsorb metal ions in the Earth's critical zone. Rocks, sediments and
soils rich in clay minerals can concentrate rare earth elements (REEs) in ion adsorption-type …

China's progress in radionuclide migration study over the past decade (2010–2021): Sorption, transport and radioactive colloid

Z Chen, S Wang, H Hou, K Chen, P Gao, Z Zhang… - Chinese Chemical …, 2022 - Elsevier
The radionuclide (RN) migration study is not only helpful to understand environmental
behavior of RNs, but also can establish the basis for the safety assessment of geological …

Molecular dynamics simulations of cesium adsorption on illite nanoparticles

LN Lammers, IC Bourg, M Okumura, K Kolluri… - Journal of colloid and …, 2017 - Elsevier
The charged surfaces of micaceous minerals, especially illite, regulate the mobility of the
major radioisotopes of Cs (134 Cs, 135 Cs, 137 Cs) in the geosphere. Despite the long …

Modeling uranium (VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on …

C Tournassat, RM Tinnacher, S Grangeon… - … et Cosmochimica Acta, 2018 - Elsevier
The prediction of U (VI) adsorption onto montmorillonite clay is confounded by the
complexities of:(1) the montmorillonite structure in terms of adsorption sites on basal and …

Radiocesium interaction with clay minerals: Theory and simulation advances Post–Fukushima

M Okumura, S Kerisit, IC Bourg, LN Lammers… - Journal of …, 2018 - Elsevier
Insights at the microscopic level of the process of radiocesium adsorption and interaction
with clay mineral particles have improved substantially over the past several years, triggered …

Effects of complexation between organic matter (OM) and clay mineral on OM pyrolysis

H Bu, P Yuan, H Liu, D Liu, J Liu, H He, J Zhou… - … et Cosmochimica Acta, 2017 - Elsevier
The stability and persistence of organic matter (OM) in source rocks are of great significance
for hydrocarbon generation and the global carbon cycle. Clay-OM associations commonly …

Modeling the acid–base properties of montmorillonite edge surfaces

C Tournassat, JA Davis, C Chiaberge… - Environmental …, 2016 - ACS Publications
The surface reactivity of clay minerals remains challenging to characterize because of a
duality of adsorption surfaces and mechanisms that does not exist in the case of simple …

Probing the surface charge on the basal planes of kaolinite particles with high-resolution atomic force microscopy

N Kumar, MP Andersson, D van den Ende, F Mugele… - Langmuir, 2017 - ACS Publications
High-resolution atomic force microscopy is used to map the surface charge on the basal
planes of kaolinite nanoparticles in an ambient solution of variable pH and NaCl or CaCl2 …

Change in the site density and surface acidity of clay minerals by acid or alkali spills and its effect on pH buffering capacity

I Jeon, K Nam - Scientific reports, 2019 - nature.com
Abstract Changes in the site density and surface acidity constants (ie pKa1 and pKa2) of
kaolinite and montmorillonite were determined after acid or alkali spills, and pH buffering …

Acid–base properties of cis-vacant montmorillonite edge surfaces: A combined first-principles molecular dynamics and surface complexation modeling approach

P Gao, X Liu, Z Guo, C Tournassat - Environmental science & …, 2023 - ACS Publications
Montmorillonite layer edge surfaces have pH-dependent properties, which arises from the
acid–base reactivity of their surface functional groups. Edge surface acidity (with intrinsic …