[HTML][HTML] Insight into mineral flotation fundamentals through the DFT method

W Cui, J Chen - International Journal of Mining Science and …, 2021 - Elsevier
Flotation is a complex process that occurs in solid–liquid-gas multiphase systems, and its
main factors include the minerals, separation medium, as well as various flotation reagents …

Synthesis and characterization of bentonite-based lightweight ceramic aggregates using coal combustion residue and kerosene bloating agent

F Hussain, A Omran, N Soliman - Construction and Building Materials, 2024 - Elsevier
Coal combustion residue (CCR) is an industrial by-product that has been widely adopted in
civil engineering applications. However, a significant portion of CCR is still left unused …

Analysis of the microstructure and morphology of disordered kaolinite based on the particle size distribution

Y Yang, M Jaber, LJ Michot, B Rigaud, P Walter… - Applied Clay …, 2023 - Elsevier
The defected kaolinite is common in sedimentary kaolin, but its structure and disorder
mechanism remains unclear. In this paper, three different size distributions of kaolinite …

A simple empirical model for phenanthrene adsorption on soil clay minerals

N Zhao, F Ju, Q Song, H Pan, H Ling - Journal of Hazardous Materials, 2022 - Elsevier
Soil clay minerals are effective substrate adsorbents of polycyclic aromatic hydrocarbons
(PAHs) in natural soil. The adsorbed PAHs result in long-term contamination of soils. In this …

New detail insight into Halloysite structure: Mechanism behind nanotubular morphology described by density functional theory and molecular dynamics supported by …

E Gianni, M Pšenička, K Macková, E Scholtzová… - Journal of Molecular …, 2023 - Elsevier
Halloysite structure is often considered as kaolinite's structure, however, halloysite mostly
presents a spiral tubular morphology instead of platy. Several probable reasons were …

[HTML][HTML] DFT study of electronic structure and optical properties of kaolinite, muscovite, and montmorillonite

L Shafei, P Adhikari, WY Ching - Crystals, 2021 - mdpi.com
Clay mineral materials have attracted attention due to their many properties and
applications. The applications of clay minerals are closely linked to their structure and …

Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods

D Richard, NM Rendtorff - Applied Clay Science, 2022 - Elsevier
Kaolinites have a wide impact in many technological applications, and also are promising
for their potential new uses in the future. Because these clay minerals naturally exist as fine …

New Approach To Understanding the Experimental 133Cs NMR Chemical Shift of Clay Minerals via Machine Learning and DFT-GIPAW Calculations

T Ohkubo, A Takei, Y Tachi, Y Fukatsu… - The Journal of …, 2023 - ACS Publications
Structural determination of adsorbed atoms on layered structures such as clay minerals is a
complex subject. Radioactive cesium (Cs) is an important element for environmental …

Local environments in iron-bearing clay minerals by DFT approaches: the case of structural Fe in kaolinite

D Richard, NM Rendtorff - Applied Clay Science, 2021 - Elsevier
Technological properties of kaolins depend on the internal structure of the particles that
constitute them. For this reason, unraveling the structural features from the micro to the …

Flocculation performance enhancement of organic polymer flocculants via adjusting cationic block length: molecular structure and characteristics

X Tang, H Wang, Z **ang, S Zhang, B Yan… - … Research and Design, 2022 - Elsevier
A development of coagulation-flocculation is to improve flocculation performance of organic
polymer flocculants. It is hopefully achieved via optimizing molecular structure of flocculants …