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

文献类型：期刊论文

作者Liu, Qining4,5; Liu, Honghui4,5; Chen, Huixia4,5; Wang, Xinrun3; Hu, Dahai2; Cheng, Xichuan1; Xu, Hongbin4,5
刊名RSC ADVANCES
出版日期2020-07-26
卷号10期号:46页码:27775-27787
DOI10.1039/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.
WOS关键词HYDROGEN-SULFIDE ; HEXAVALENT CHROMIUM ; REDUCTION ; CR(VI)
资助项目National Key R&D Program of China[SQ2018YFC180012]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000553911800056
出版者ROYAL SOC CHEMISTRY
资助机构National Key R&D Program of China
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.Hubei Zhenhua Chem Co LTD, Huangshi 435001, Hubei, Peoples R China
2.Yuhuan Environm Technol Co LTD, Shijiazhuang 050091, Hebei, Peoples R China
3.Chinese Res Inst Environm Sci, State Key Lab Environm Criteria & Risk Assess, Beijing 100012, Peoples R China
4.Chinese Acad Sci, Natl Engn Lab Hydromet Cleaner Prod Technol, Inst Proc Engn, Beijing 100190, Peoples R China
5.Chinese Acad Sci, CAS Key Lab Green Proc & Engn, Inst Proc Engn, Beijing 100190, 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.

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来源：过程工程研究所

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