journal article·2026-07

Influence of Fe doping on the surface hydration and dewatering behavior of kaolinite: Molecular dynamics simulations and experiments

Jun Chen, Huanhuan Shang, Xinxia Chu, Yali Cheng, Chunyun Zhu, Fanfei Min

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Coagulation and Flocculation Studies · Minerals Flotation and Separation Techniques · Coal Combustion and Slurry Processing

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (49)

Show source-provided references
1. Clay mineral formation and transformation in non-marine environments and implications for early cretaceous palaeoclimatic evolution: the Weald basin, Southeast England
2. The hydrophobic surface state of talc as influenced by aluminum substitution in the tetrahedral layer10.1016/j.jcis.2018.10.085 ↗
3. Regulation of coal flotation by the cations in the presence of clay10.1016/j.fuel.2020.117590 ↗
4. Solid solutions in micas hydrothermally synthesized from kaolinite at 400°c
5. Ab initio molecular dynamics study of the hydration of a sodium smectite clay10.1021/jp0262564 ↗
6. Adsorption of naphthalene on clay minerals: a molecular dynamics simulation study10.3390/ma15155120 ↗
7. Mechanism insights into hg (II) adsorption on kaolinite (001) surface: a density functional study10.1016/j.apsusc.2019.05.227 ↗
8. Interaction between STAC and coal/kaolinite in tailing dewatering: an experimental and molecular-simulation study10.1016/j.fuel.2020.118224 ↗
9. Systematic exploration of quaternary ammonium salt adsorption on oxidized coal based on experiments and MD simulations
10. Interactions between mg2+−doped kaolinite and coal: insights from DFT calculation and flotation10.1016/j.apsusc.2022.154071 ↗
11. Mechanism research on surface hydration of Fe(II)-doped kaolinite, insights from molecular dynamics simulations10.1016/j.molliq.2023.122469 ↗
12. Effects of Mg(II) doping amount on the surface hydration of kaolinite: molecular dynamics simulations and experiments
13. Exploration of the interaction between fe-doped kaolinite surface and H2O based on DFT simulation and experiment10.1016/j.molliq.2023.123901 ↗
14. Ab initio study of sorption on pyrophyllite: structure and dynamics of hydrated interlayers
15. Investigation into the adsorption of CO2, n2 and CH4 on kaolinite clay10.1016/j.arabjc.2021.103665 ↗
16. Theoretical studies on defects of kaolinite in clays
17. Physical and chemical properties of layered clay mineral particle surfaces
18. Molecular dynamics simulations of microstructure and dynamic shearing behaviors of kaolinite-water-salt system10.1016/j.clay.2022.106414 ↗
19. High resolution simulation of nonstationary gaussian random fields10.1016/j.csda.2016.03.005 ↗
20. Basics of clay minerals and their characteristic properties10.5772/intechopen.97672 ↗
21. Understanding flotation mechanism of nonionic surfactants with different polarity on kaolinite as a gangue mineral: an experimental and simulation study
22. Evaluation of the effect of hydraulic shear intensity on coal-slime water flocculation in a gradient fluidized bed10.1016/j.powtec.2019.10.031 ↗
23. Influence mechanism of Fe(II/III) doping on the adsorption of methylamine salts on kaolinite surfaces elucidated through DFT calculations10.1016/j.molliq.2023.123082 ↗
24. Influence of water on tensile behavior of illite through the molecular dynamics method10.1061/IJGNAI.GMENG-8999 ↗
25. Investigating agglomeration of kaolinite particles in the presence of dodecylamine by force testing and molecular dynamics simulation10.1016/j.colsurfa.2022.128930 ↗
26. Molecular dynamics simulation of hydrocarbon molecule adsorption on kaolinite (001) surface10.1016/j.fuel.2018.10.063 ↗
27. Mignon P, Ugliengo P, Sodupe M, R. Hernandez E. Ab initio molecular dynamics study of the hydration of li+, na+ and k+ in a montmorillonite model. Influence of isomorphic substitution. Phys. Chem. Chem. Phys., 2010, 12 (3): 688–697. doi:https://doi.org/10.1039/B915689E.10.1039/B915689E ↗
28. Mechano-chemical activation of kaolins – effect of mineral composition and triethanolamine on activation effectiveness and hydration10.1016/j.conbuildmat.2025.141703 ↗
29. Study of hydration layers near a hydrophilic surface in water through AFM imaging10.1002/sia.2368 ↗
30. Role of kaolinite clay minerals in enhanced oil recovery by low salinity water injection10.1021/acs.energyfuels.8b00790 ↗
31. Preparation and properties of organically modified Na-montmorillonite10.3390/ma16083184 ↗
32. Rheology, ignition, and combustion performance of coal-water slurries: Influence of sequence and methods of mixing10.1016/j.fuel.2022.124294 ↗
33. Microscopic interaction mechanism between fe-doped kaolinite and quartz: DFT calculations and experiments10.1016/j.fuel.2025.136074 ↗
34. Theoretical study of interaction of amide molecules with kaolinite10.1016/j.comptc.2014.10.021 ↗
35. Sposito · 2008
36. Ab initio molecular dynamics study of a monomolecular water layer on octahedral and tetrahedral kaolinite surfaces10.1021/jp037121g ↗
37. Study on the pyrolysis behavior of coal-water slurry and coal-oil-water slurry10.1016/j.joei.2021.10.006 ↗
38. The interaction of clay minerals and saline water in coarse coal flotation10.1016/j.fuel.2014.05.085 ↗
39. Effect of saline water on the flotation of fine and coarse coal particles in the presence of clay minerals10.1016/j.mineng.2014.03.016 ↗
40. Experimental and molecular dynamics simulation study on wetting interaction between water droplets and kaolinite surface10.1016/j.cplett.2022.139659 ↗
41. Adsorption and diffusion of vapour-phase PFAS in montmorillonite and kaolinite: effect of moisture content and chain length10.1016/j.cej.2025.164386 ↗
42. Selective inhibition of kaolinite entrainment during chalcopyrite flotation in saline water
43. Role of molecular simulation in understanding the mechanism of low-rank coal flotation: a review10.1016/j.fuel.2019.116535 ↗
44. Preparation of high concentration coal water slurry with good fluidity based on only modified fine particles under bimodal distribution using the second fluid and the second particle10.1016/j.fuel.2022.123461 ↗
45. Molecular simulation on CO2 adsorption in partially water-saturated kaolinite nanopores in relation to carbon geological sequestration
46. Surface wettability of basal surfaces of clay minerals: insights from molecular dynamics simulation10.1021/acs.energyfuels.5b02142 ↗
47. Adjusting acetylene gas flow to grow a spheroidal graphene film with controllable layer number and lattice defects10.1016/j.surfcoat.2019.02.057 ↗
48. Molecular dynamics simulation of water structure and hydrogen bonding at clay mineral surfaces with lattice substitutions
49. Defects in structure as the sources of the surface charges of kaolinite10.1016/j.clay.2016.01.033 ↗