Thermodynamic investigation with chemical kinetic analysis on the reoxidation phenomenon of the Cr(iii) in air

doi:10.1039/d0ra01403f

	Thermodynamic investigation with chemical kinetic analysis on the reoxidation phenomenon of the Cr(iii) in air
	Liu, Qining 1,2; Liu, Honghui 1,2; Chen, Huixia 1,2; Wang, Xinrun 3; Hu, Dahai 4; Cheng, Xichuan 5; Xu, Hongbin 1,2
刊名	RSC ADVANCES
	2020-07-26
卷号	10 期号:46 页码:27775-27787
DOI	10.1039/d0ra01403f
英文摘要	In this paper, the reoxidation behaviours of CrOOH and Cr(OH)(3)are investigated as the major reduction products of Cr(vi). The atmosphere oxidation of Cr(iii) is studied in the environment of soil without manganese and hydrogen peroxide. The influence of temperature and pH value on the oxidation rate of Cr(iii) is examined by Experiment methods in details. According to the experimental results, the oxidation of Cr(iii) is promoted in the environment with high pH value, however, the oxidation process is stable with temperature. The oxidation process of CrOOH and Cr(OH)(3)are theoretically researched by thermodynamic calculation and density functional theory (DFT) simulation. The results of DFT indicate that both CrOOH and Cr(OH)(3)are oxidized during the chemical adsorption process of O(2)in alkaline environment. With the transformation from Cr(iii) to Cr(vi), the Cr-O covalent bond forms in the adsorption process. The crystal structure difference between CrOOH and Cr(OH)(3)leads to the different oxidation reaction between O(2)and Cr(iii). The significant alteration of oxidation process in (110), (310), (321) crystal planes is also observed indicating the crystal orientation dependence. Based on the chemical reaction kinetics, the chemical equivalent constantKof CrOOH is higher than Cr(OH)(3), illustrating higher chemical stability in air. In summary, both experimental study and theoretical analysis on the reoxidation phenomenon of Cr(iii) reduced from Cr(vi) in natural environment demonstrate that not only the external factors such as temperature and pH value but also the crystal structure of Cr(iii) compound have dramatic influence on the oxidation process.
资助项目	National Key R&D Program of China[SQ2018YFC180012]
WOS关键词	HYDROGEN-SULFIDE ; HEXAVALENT CHROMIUM ; REDUCTION ; CR(VI)
WOS研究方向	Chemistry
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000553911800056
资助机构	National Key R&D Program of China
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/41857]
专题	中国科学院过程工程研究所
通讯作者	Chen, Huixia; Wang, Xinrun
作者单位	1.Chinese Acad Sci, CAS Key Lab Green Proc & Engn, Inst Proc Engn, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Natl Engn Lab Hydromet Cleaner Prod Technol, Inst Proc Engn, Beijing 100190, Peoples R China 3.Chinese Res Inst Environm Sci, State Key Lab Environm Criteria & Risk Assess, Beijing 100012, Peoples R China 4.Yuhuan Environm Technol Co LTD, Shijiazhuang 050091, Hebei, Peoples R China 5.Hubei Zhenhua Chem Co LTD, Huangshi 435001, Hubei, Peoples R China
推荐引用方式 GB/T 7714	Liu, Qining,Liu, Honghui,Chen, Huixia,et al. Thermodynamic investigation with chemical kinetic analysis on the reoxidation phenomenon of the Cr(iii) in air[J]. RSC ADVANCES,2020,10(46):27775-27787.
APA	Liu, Qining.,Liu, Honghui.,Chen, Huixia.,Wang, Xinrun.,Hu, Dahai.,...&Xu, Hongbin.(2020).Thermodynamic investigation with chemical kinetic analysis on the reoxidation phenomenon of the Cr(iii) in air.RSC ADVANCES,10(46),27775-27787.
MLA	Liu, Qining,et al."Thermodynamic investigation with chemical kinetic analysis on the reoxidation phenomenon of the Cr(iii) in air".RSC ADVANCES 10.46(2020):27775-27787.