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Structural analysis of CanOn-1S cluster of dolomite desulfurization

W. Z. Lv ; School of Materials and Metallurgy, University of science and technology Liaoning, AnShan, China
K. Liu ; School of Materials and Metallurgy, University of science and technology Liaoning, AnShan, China
R. W. Zhang ; School of Materials and Metallurgy, University of science and technology Liaoning, AnShan, China
L. Cheng ; School of Materials and Metallurgy, University of science and technology Liaoning, AnShan, China

Puni tekst: engleski, pdf (201 KB) str. 31-34 preuzimanja: 113* citiraj
APA 6th Edition
Lv, W.Z., Liu, K., Zhang, R.W. i Cheng, L. (2018). Structural analysis of CanOn-1S cluster of dolomite desulfurization. Metalurgija, 57 (1-2), 31-34. Preuzeto s https://hrcak.srce.hr/189357
MLA 8th Edition
Lv, W. Z., et al. "Structural analysis of CanOn-1S cluster of dolomite desulfurization." Metalurgija, vol. 57, br. 1-2, 2018, str. 31-34. https://hrcak.srce.hr/189357. Citirano 29.01.2020.
Chicago 17th Edition
Lv, W. Z., K. Liu, R. W. Zhang i L. Cheng. "Structural analysis of CanOn-1S cluster of dolomite desulfurization." Metalurgija 57, br. 1-2 (2018): 31-34. https://hrcak.srce.hr/189357
Harvard
Lv, W.Z., et al. (2018). 'Structural analysis of CanOn-1S cluster of dolomite desulfurization', Metalurgija, 57(1-2), str. 31-34. Preuzeto s: https://hrcak.srce.hr/189357 (Datum pristupa: 29.01.2020.)
Vancouver
Lv WZ, Liu K, Zhang RW, Cheng L. Structural analysis of CanOn-1S cluster of dolomite desulfurization. Metalurgija [Internet]. 2018 [pristupljeno 29.01.2020.];57(1-2):31-34. Dostupno na: https://hrcak.srce.hr/189357
IEEE
W.Z. Lv, K. Liu, R.W. Zhang i L. Cheng, "Structural analysis of CanOn-1S cluster of dolomite desulfurization", Metalurgija, vol.57, br. 1-2, str. 31-34, 2018. [Online]. Dostupno na: https://hrcak.srce.hr/189357. [Citirano: 29.01.2020.]

Sažetak
Using first-principles calculation method and comparing the difference between the free energy, the binding energy and electronic energy, the paper obtained CanOn-1S clusters is possible by the presence of CaO to CaS desulfurization process. Compared with the (CaO) n clusters, CanOn-1S clusters is in the lower energy side and the reaction has a tendency to lower energy spontaneously. As an excessive state, CanOn-1S clusters forms before the nucleation CaS. According to analyze HOMO-LUMO energy difference, its chemical activity is higher than (CaO) n.

Ključne riječi
dolomite; structure analyses; desulfurization; chemical activity; free energy

Hrčak ID: 189357

URI
https://hrcak.srce.hr/189357

Posjeta: 236 *