journal article·2023-11

Surface hydration of zircon and its influence on the adsorption of typical flotation collectors: First-principle calculations

Jianyong He, Rui Liu, Yunxia Wu, Yun Zhang, Wei Sun, Guosheng Li, Yijun Cao, Zhiyong Gao

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OpenAlex topics: Minerals Flotation and Separation Techniques · Iron oxide chemistry and applications · Geochemistry and Elemental Analysis

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References (56)

Show source-provided references
1. C.M. Kozak, P. Mountford, Zirconium & hafnium: inorganic & coordination chemistry, in: Encyclopedia of Inorganic Chemistry, John Wiley & Sons, Ltd, Chichester, UK, 2006, pp. 1–24. .
2. Titanium, zirconium resources and production: a state of the art literature review10.1016/j.oregeorev.2019.02.025 ↗
3. Effects of surface Chemistry, particle morphology and pretreatment on zircon flotation10.1016/j.mineng.2022.107904 ↗
4. Jr. Roland SchmidtDale L. Denham, Zircon-rutile-ilmenite froth flotation process, US5106489A, 1992. .
5. Flotation of zircon from mineral sands
6. The separation of monazite from zircon by flotation10.1016/0022-5088(72)90181-6 ↗
7. Towards cleaner production – using flotation to recover monazite from a heavy mineral sands zircon waste stream10.1016/j.mineng.2016.10.011 ↗
8. Review of important developments since the 1st IMPC in 1952 in the understanding of the effects of chemical factors on flotation10.1016/j.mineng.2021.106960 ↗
9. A century of research leading to understanding the scientific basis of selective mineral flotation and design of flotation collectors
10. The interaction of flotation reagents with metal ions in mineral surfaces: a perspective from coordination chemistry10.1016/j.mineng.2021.107067 ↗
11. Unveiling the adsorption mechanism of xanthate on the pentlandite/pyrrhotite heterostructure from first principles calculations10.1016/j.apsusc.2023.156480 ↗
12. Interactions of xanthate molecule with different mineral surfaces: a comparative study of Fe, Pb and Zn sulfide and oxide minerals with coordination chemistry10.1016/j.mineng.2020.106565 ↗
13. Hu · 2009
14. Hydration structure and water exchange kinetics at xenotime-water interfaces: implications for rare earth minerals separation10.1039/D0CP00087F ↗
15. Mineral-water interfacial structures revealed by synchrotron X-ray scattering10.1016/j.progsurf.2004.12.001 ↗
16. Interfacial water structure and the wetting of mineral surfaces10.1016/j.minpro.2016.02.004 ↗
17. Effects of hydration on the adsorption of benzohydroxamic acid on the lead-ion-activated cassiterite surface: a DFT study10.1021/acs.langmuir.0c03575 ↗
18. A review of atomistic simulation methods for surface physical-chemistry phenomena applied to froth flotation10.1016/j.mineng.2019.106020 ↗
19. Novel insights into the hydroxylation behaviors of alpha-quartz (101) surface and its effects on the adsorption of sodium oleate10.3390/min9070450 ↗
20. Adsorption performance and mechanism of the commonly used collectors with Oxygen-containing functional group on the ilmenite surface: A DFT study
21. Selective adsorption mechanism of dodecylamine on the hydrated surface of hematite and quartz10.1016/j.seppur.2021.119137 ↗
22. Unraveling roles of lead ions in selective flotation of scheelite and fluorite from atomic force microscopy and first-principles calculations10.1016/j.mineng.2022.107424 ↗
23. Surface chemistry and flotation behaviors of monazite–apatite–ilmenite–quartz–rutile–zircon with octanohydroxamic acid10.1007/s40831-016-0114-0 ↗
24. Quantum chemistry assisted screening of zircon flotation collectors10.1016/j.mineng.2022.107892 ↗
25. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, J.B. Farkas, J.B. Foresman, J. V Ortiz, J. Cioslowski, D.J. Fox, Gaussian09 Revision D.01, Gaussian Inc. Wallingford CT, Gaussian 09 Revision C.01. (2010) Gaussian Inc., Wallingford CT.
26. The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase10.1039/c2dt12232d ↗
27. Electrochemistry of the zircon-water interface10.1016/0927-7757(94)02745-5 ↗
28. Adsorption of monoalkyl phosphates at the zircon-aqueous solution interface10.1006/jcis.1998.5778 ↗
29. J. He, W. Sun, D. Chen, Z. Gao, C. Zhang, Interface Interaction of benzohydroxamic acid with lead ions on oxide mineral surfaces: a coordination mechanism study, Langmuir 37 (n.d.) 3490–3499. https://doi.org/10.1021/acs.langmuir.1c00322.10.1021/acs.langmuir.1c00322 ↗
30. Interfacial microstructures and adsorption mechanisms of benzohydroxamic acid on Pb2+-activated cassiterite (110) surface10.1016/j.apsusc.2020.148506 ↗
31. New insights into the configurations of lead(II)-benzohydroxamic acid coordination compounds in aqueous solution: a combined experimental and computational study10.3390/min8090368 ↗
32. Novel insights into the surface microstructures of lead(II) benzohydroxamic on oxide mineral10.1016/j.apsusc.2018.07.085 ↗
33. Implicit self-consistent electrolyte model in plane-wave density-functional theory10.1063/1.5132354 ↗
34. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
35. Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids10.1002/jcc.23424 ↗
36. Revised damping parameters for the D3 dispersion correction to density functional theory10.1021/acs.jpclett.6b00780 ↗
37. Revealing the nature of intermolecular interaction and configurational preference of the nonpolar molecular dimers (H2)2, (N2)2, and (H2)(N2)10.1007/s00894-013-2034-2 ↗
38. Perspective: how good is DFT for water?10.1063/1.4944633 ↗
39. Accurate surface and adsorption energies from many-body perturbation theory10.1038/nmat2806 ↗
40. Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations10.1021/jp0523423 ↗
41. Comparison of cation adsorption by isostructural rutile and cassiterite10.1021/la1040163 ↗
42. Unraveling roles of lead ions in selective flotation of scheelite and fluorite from atomic force microscopy and first-principles calculations10.1016/j.mineng.2022.107424 ↗
43. Effect of temperature on the solubility and solid phase stability of zirconium hydroxide10.1524/ract.2013.2074 ↗
44. EXAFS study of aqueous ZrIV and ThIV complexes in alkaline CaCl2 solutions: Ca3[Zr(OH)6] 4+ and Ca4[Th(OH)8]4+10.1021/ic070318t ↗
45. Hydrolysis constant and coordination geometry of Zirconium(IV)10.1080/18811248.2008.9711474 ↗
46. Structural approach to understanding the solubility of metal hydroxides10.1021/acs.langmuir.9b01132 ↗
47. Investigation of polynuclear Zr(IV) hydroxide complexes by nanoelectrospray mass-spectrometry combined with XAFS10.1007/s00216-007-1223-1 ↗
48. Brown · 2005
49. Fatty acid flotation versus BHA flotation of tungsten minerals and their performance in flotation practice10.1016/j.minpro.2016.12.006 ↗
50. He · 2019
51. Adsorption mechanism of water molecules on hematite (1 0 4) surface and the hydration microstructure10.1016/j.apsusc.2021.149328 ↗
52. Novel insights into the hydroxylation behaviors of α-quartz (101) surface and its effects on the adsorption of sodium oleate10.3390/min9070450 ↗
53. Crystal plane fracture energy and its fracture mechanism: a case study of zircon
54. The Frontier molecular orbital theory of cycloaddition reactions10.1021/ar50095a001 ↗
55. Hard and soft acids and bases, HSAB, part I: Fundamental principles10.1021/ed045p581 ↗
56. Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations10.1021/j100135a014 ↗