Antimony Removal from Aqueous Solution Using Novel alpha-MnO2 Nanofibers: Equilibrium, Kinetic, and Density Functional Theory Studies

	Antimony Removal from Aqueous Solution Using Novel alpha-MnO2 Nanofibers: Equilibrium, Kinetic, and Density Functional Theory Studies
	Luo, Jinming; Hu, Chengzhi; Meng, Xiaoyang; Crittenden, John; Qu, Jiuhui; Peng, Ping
	2017-03-01
Source Publication	ACS SUSTAINABLE CHEMISTRY & ENGINEERING
Volume	5 Issue:3 Pages:2255-2264
Abstract	Herein, we report the synthesis and characterization of a novel alpha-MnO2 nanofibers (MO-2) prepared via morphological and phase transitions from delta-MnO2 nano particles under hydrothermal reaction in the presence of graphene oxide (GO) for the first time. The MO-2 shows long, compact, and uniform nanofiber morphology. The adsorption properties of antimonite (Sb(III)) and antimonate (Sb(V)) on MO-2 were investigated using batch experiments of adsorption isotherms and kinetics. Experimental results show that the adsorption behavior of Sb on MO-2 is spontaneous, exothermic, and pH-dependent and follows the monolayer Langmiur isotherm model, pseudo-second-order kinetic model and external mass transfer model. MO-2 has maximum Sb(III) and Sb(V) adsorption capacities of 111.70 and 89.99 mg/g, respectively. Density functional theory (DFT) calculations indicate that both Sb(III) and Sb(V) have monodentate and bidentate complexes on the (110) facet. The adsorption energies (E-ad) analysis demonstrates that the formed monodentate and bidentate complexes of Sb(III) (-2.31 and -2.70 eV, respectively) and Sb(V) (-2.17 and -2.85 eV, respectively) on the (110) facet are stable. And it can be confirmed that Sb(III) and Sb(V) are chemisorbed on the surface of MO-2 according to the analyses of partial density of state (PDOS) and Dubinin Radushkevich (DR) isotherm model.
Department	中国科学院饮用水科学与技术重点实验室
Keyword	Antimony Adsorption Alpha-mno2 Nanofibers Dft Study
Document Type	期刊论文
Identifier	https://ir.rcees.ac.cn/handle/311016/39668
Collection	中国科学院饮用水科学与技术重点实验室
Recommended Citation GB/T 7714	Luo, Jinming,Hu, Chengzhi,Meng, Xiaoyang,et al. Antimony Removal from Aqueous Solution Using Novel alpha-MnO2 Nanofibers: Equilibrium, Kinetic, and Density Functional Theory Studies[J]. ACS SUSTAINABLE CHEMISTRY & ENGINEERING,2017,5(3):2255-2264.
APA	Luo, Jinming,Hu, Chengzhi,Meng, Xiaoyang,Crittenden, John,Qu, Jiuhui,&Peng, Ping.(2017).Antimony Removal from Aqueous Solution Using Novel alpha-MnO2 Nanofibers: Equilibrium, Kinetic, and Density Functional Theory Studies.ACS SUSTAINABLE CHEMISTRY & ENGINEERING,5(3),2255-2264.
MLA	Luo, Jinming,et al."Antimony Removal from Aqueous Solution Using Novel alpha-MnO2 Nanofibers: Equilibrium, Kinetic, and Density Functional Theory Studies".ACS SUSTAINABLE CHEMISTRY & ENGINEERING 5.3(2017):2255-2264.

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