journal article·2024-12

Influence of Ca2+ substitution on the surface hydration characteristics of kaolinite: Combination of simulations and experiments

Qingdong Shu, Fanfei Min, Jun Chen

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OpenAlex topics: Soil and Unsaturated Flow · Clay minerals and soil interactions · Geophysical and Geoelectrical Methods

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References (58)

Show source-provided references
1. Changes in mineral fraction and pore morphology of coal with acidification treatment: contribution of clay minerals to methane adsorption10.1007/s11356-023-30414-x ↗
2. Influence of water soaking on swelling and microcharacteristics of coal
3. Mechanism of mechanical entrainment in chalcopyrite flotation: effects of clay minerals10.1007/s42461-023-00908-w ↗
4. Catalytic reforming of volatiles from co-pyrolysis of lignite blended with corn straw over three different structures of iron ores
5. Investigating the settling behaviour of saline tailing suspensions using kaolinite, bentonite, and illite clay minerals10.1016/j.powtec.2017.11.070 ↗
6. Recent advances in the treatment and recycling of mineral processing wastewater
7. Effect of kaolinite and montmorillonite on fine coal flotation10.1016/j.fuel.2017.01.058 ↗
8. Study of settling drag coefficient of coal-based fine kaolinite particles
9. Study on hydration layers near a hydrophilic surface in water through AFM imaging10.1002/sia.2368 ↗
10. Adsorption of cationic collectors and water on muscovite (001) surface: a molecular dynamics simulation study10.1016/j.mineng.2013.07.006 ↗
11. Mechanism research on surface hydration of kaolinite, insights from DFT and MD simulations10.1016/j.apsusc.2019.01.081 ↗
12. Adsorption of different valence metal cations on kaolinite: results from experiments and molecular dynamics simulations
13. Molecular dynamics simulations of hydration shell on montmorillonite (001) in water10.1002/sia.6000 ↗
14. Surface wettability of montmorillonite (001) surface as affected by surface charge and exchangeable cations: a molecular dynamic study10.1016/j.apsusc.2018.07.216 ↗
15. Stacking faults in the kaolin-group minerals: defect structures of kaolinite10.1346/CCMN.1989.0370302 ↗
16. Analysis of interaction between dislocation and grain boundary by using a lattice defect model10.1016/j.proeng.2011.04.173 ↗
17. Analysis of silicate in geological mineral samples
18. Effect of interlayer counterions on the structures of dry montmorillonites with Si4+/Al3+ substitution10.1016/j.commatsci.2012.11.019 ↗
19. Systematic exploration of the interactions between Fe-doped kaolinite and coal based on DFT calculations10.1016/j.fuel.2020.117082 ↗
20. Insights into the influence mechanism of Mg2+ doping on hydration activity of kaolinite surface: A DFT calculation
21. Surface charge on kaolinites in aqueous suspension10.1071/SR9760197 ↗
22. Surface charge properties of kaolinite10.1346/CCMN.1997.0450110 ↗
23. Particle sedimentation: effect of polymer concentration on particle-particle interaction10.1016/j.powtec.2011.12.050 ↗
24. Enhancement of flotation response of fine low-rank coal using positively charged microbubbles10.1016/j.fuel.2019.02.092 ↗
25. Study on catalytic co-pyrolysis of physical mixture/staged pyrolysis characteristics of lignite and straw over an catalytic beds of char and its mechanism10.1016/j.enconman.2018.01.083 ↗
26. Zhang · 2018
27. The effect of Ca2+ substitution on crystal structure and surface properties of kaolinite: a DFT study
28. Handbook of X-ray photoelectron spectroscopy
29. Micro cantilever humidity sensor based on graphene oxide
30. Structure and properties of SPC, SPC/E and TIP3P model water
31. First principles methods using CASTEP
32. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
33. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism10.1103/PhysRevB.41.7892 ↗
34. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
35. Density function study on microscopic interactions between fine particles of coal and kaolinite in coal slurry water
36. A periodic DFT study of adsorption of water on sodium-montmorillonite (001) basal and (010) edge surface10.1016/j.apsusc.2016.06.079 ↗
37. Experimental investigation and DFT calculation of different amine/ammonium salts adsorption on kaolinite10.1016/j.apsusc.2017.04.213 ↗
38. Study on improvement of asphalt adhesion by hydrated lime based on surface free energy method10.1016/j.conbuildmat.2019.116794 ↗
39. An equation-of-state approach to determine surface tensions of low-energy solids from contact angles10.1016/0021-9797(74)90365-8 ↗
40. Investigation on the effect of functional groups on the wettability of coal dust: experiments and theoretical validation10.1016/j.fuel.2023.128987 ↗
41. Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field10.1021/jp0363287 ↗
42. Canonical distribution and ensemble theory in classical statistical mechanics
43. Effects of Mg(II) doping amount on the surface hydration of kaolinite: molecular dynamics simulations and experiments
44. Chen · 2017
45. How flexible is the water molecule geometry? Analysis of crystal structures and potential energy surface10.1039/C9CP07042G ↗
46. Structure, dynamics, and stability of water molecules during interfacial interaction with clay minerals: strong dependence on surface charges10.1021/acsomega.9b00401 ↗
47. Ab Initio molecular dynamics simulations on the hydrated structures of Na+-Nafion models10.1021/acs.jpcc.6b11946 ↗
48. Coadsorption of Na+ and H2O on the surface of hydroxylated silica10.1080/08927022.2020.1807018 ↗
49. Interaction between neighboring supercritical water molecules and density fluctuation by molecular dynamics simulations10.1007/s11630-022-1574-0 ↗
50. Radial distribution functions of water: models vs experiments
51. Calculation of chemical potential of a molecule on the basis of radial distribution functions10.1134/S1061933X20060198 ↗
52. Isomorphous substitution vs. defect density in hydrothermally synthesized (200 °C) Fe3+, Ga3+ and Cr3+-substituted kaolinites10.1016/j.clay.2009.04.004 ↗
53. The Hinckley index for kaolinites10.1180/claymin.1988.023.3.02 ↗
54. Synthesis, characterization and acid-base properties of kaolinite and metal (Fe, Mn, Co) doped kaolinite10.1016/j.clay.2019.105138 ↗
55. What is the structure of kaolinite? Reconciling theory and experiment10.1021/jp810448t ↗
56. Vibrational spectra and structure of kaolinite: a computer simulation study10.1021/jp0013255 ↗
57. Effect of microstructure on the intercalation of kaolinite I - IR spectra study of characteristic bands
58. NIST X-ray photoelectron spectroscopy database: NIST standard reference database