Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources

Shijiazhuang, China

Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources

Shijiazhuang, China

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Pei H.,Shijiazhuang University | Gao A.,Shijiazhuang University of Economics | Gao A.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources
Advanced Materials Research | Year: 2012

The electron affinities of the C nH 2n+1SS/C nH 2n+1SS- (n=1-5) species have been determined using four different density functional or hybrid Hartree-Fock density functional methods. The basis set used in this work is of double-ζ plus polarization quality with additional diffuse s- and p-type functions, denoted DZP++. Three different types of the neutral-anion energy separations reported in this work are the adiabatic electron affinity (EA ad), the vertical electron affinity (EA vert), and the vertical detachment energy (VDE). The most reliable adiabatic electron affinities, obtained at the DZP++ BP86 level of theory, are 1.794 eV (for CH 3SS), 1.777 eV (for C 2H 5SS), 1.778 eV (a) and 1.809 eV (b) for the two isomers of C 3H 7SS, 1.782 eV (a), 1.825 eV (b) and 1.778 eV (c) for the three isomers of C 4H 9SS, and 1.784 eV (a), 1.875 eV (b), 1.805 eV (c) and 1.835 eV (d) for the three isomers of C 5H 11SS, respectively. © (2012) Trans Tech Publications, Switzerland.


Gao A.,Shijiazhuang University of Economics | Gao A.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources | Liang X.,Shijiazhuang University of Economics | Li L.,Shijiazhuang University of Economics | Cui J.,Hebei Chemical Pharmaceutical College
Journal of Molecular Modeling | Year: 2013

The optimized geometries, electron affinities, and dissociation energies of the alkylthio radicals have been determined with the higher level of the Gaussian-3(G3) theory. The geometries are fully optimized and discussed. The reliable adiabatic electron affinities with ZPVE correction have been predicted to be 1.860 eV for the methylthio radical, 1.960 eV for the ethylthio radical, 1.980 and 2.074 eV for the two isomers (n-C3H7S and i-C3H7S) of the propylthio radical, 1.991, 2.133 and 2.013 eV for the three isomers (n-C4H9S, t-C4H 9S, and i-C4H9S) of the butylthio radical, and 1.999, 2.147, 2.164, and 2.059 eV for the four isomers (n-C5H 11S, b-C5H11S, c-C5H11S, and d-C5H11S) of the pentylthio radical, respectively. These corrected EAad values for the alkylthio radicals are in good agreement with available experiments, and the average absolute error of the G3 method is 0.041 eV. The dissociation energies of S atom from neutral C nH2n+1S (n = 1-5) and S- from corresponding anions CnH2n+1S- species have also been estimated respectively to examine their relative stabilities. © 2013 Springer-Verlag Berlin Heidelberg.


Gao A.,Shijiazhuang University of Economics | Gao A.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources | Li F.,Shijiazhuang University of Economics | Sun J.,China Metallurgical Geological Exploration Geotechnical Engineering Co.
Geological Engineering and Mining Exploration in Central Asia - Proceeding Source: The XVIII Kerulien International Conference on Geology, KICG 2013 | Year: 2013

The electron affinities of the simplest alkylthio radicals have been examined using four hybrid Hartree-Fock/density functional methods. The basis set used in this work is of double-ζ plus polarization quality with additional diffuse s-and p-type functions. Three different types of the neutral-anion energy separations reported in this work are the adiabatic electron affinity (EAad), the vertical electron affinity (EAvert), and the vertical detachment energy (VDE). The most reliable adiabatic electron affinities, obtained at the DZP++ B3LYP level of theory, are 1.93 eV (C2H5S), 1.93 eV (a-C3H7S), 2.02 eV (b-C3H7S), 1.94 eV (a-C4H9S), 1.95 eV (b-C4H9S), 2.07 eV (a-C5H11S), 2.08 eV (b-C5H11S), 2.09 eV (c-C5H11S), respectively. Compared with the experimental values, the average absolute error of the B3LYP method is 0.04 eV.


Bi P.,Shijiazhuang University of Economics | Bi P.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources | Li A.,Shijiazhuang University of Economics | Li A.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources | And 2 more authors.
Geological Engineering and Mining Exploration in Central Asia - Proceeding Source: The XVIII Kerulien International Conference on Geology, KICG 2013 | Year: 2013

The indicator system for the supporting capacity of groundwater on eco-Environment in northern Chinese cities was proposed in this paper based on Analytical Hierarchy Process, and the groundwater resources attributes, vegetation environment, land quality as well as water environment problems were taken into account in this system according to the understanding of the regional hydrogeology background and groundwater utilization in northern China. The case study in Cangzhou city showed that indicator system formed can be used to map the suitable area for future and it has a guiding significance for future the supporting capacity of groundwater on eco-environment-area allocation and construct ion.


Gao A.,Shijiazhuang University of Economics | Gao A.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources | Wang W.,Shijiazhuang University of Economics | Li A.,Shijiazhuang University of Economics | Jiao Z.,Shijiazhuang University of Economics
Chinese Journal of Environmental Engineering | Year: 2014

In order to investigate the effects of mole ratio of H2O2 to Fe2+, pH value, initial dye concentration on chroma removal rate, the degradation of Reactive Dark Blue B-2GLN (RDB B-2GLN) in Fenton oxidation process was studied using online spectrophotometric method. The degradation kinetic mechanics was evaluated and the intermediates products were analyzed by gas chromatography-mass spectrometer (GC-MS). The results showed that the maximum color removal rate (85.04%) of RDB B-2GLN was obtained after 300 seconds under the preparation conditions (H2O2:Fe2+ = 37.80, pH = 2.7, [H2O2] = 2.635 mmol/L, and the [dye] = 16 mg/L). The intrinsic reaction rate constant of ·OH with RDB B-2GLN in aqueous solution was 2.62×1011 L/(mol·s). The molecule structure of RDB B-2GLN was decomposed and not mineralized by Fenton's reagent (300 s). The probable mechanism of the degradation of RDB B-2GLN was discussed. Online spectrophotometric method is an accurate, quick, and feasible technique to monitor color removal rate of RDB B-2GLN in Fenton process.


Gao A.,Shijiazhuang University of Economics | Gao A.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources | Wang W.,Shijiazhuang University of Economics | Li A.,Shijiazhuang University of Economics
Zhongnan Daxue Xuebao (Ziran Kexue Ban)/Journal of Central South University (Science and Technology) | Year: 2015

Online spectrophotometric method was employed to monitor simulated reactive dark blue B-2GLN (RDB B-2GLN) in aqueous solution in Fenton oxidation process. The dye degradation effects of initial dosage of FeSO4 and H2O2, pH, initial mass concentration of dye were studied, and the products of Fenton oxidation were analyzed by ion chromatography method. The results show that online spectrophotometric method is a quick, feasible and convenient technique to monitor color removal of RDB B-2GLN in Fenton process. Fenton oxidation process for the treatment of RDB B-2GLN consists of two stages. The optimal dosage of H2O2 is 2.635 mmol/L and pH is 2.7. The optimal dosage of Fe2+ for the dye degradation is 0.069 6 mmol/L; the molecular structure of RDB B-2GLN in aqueous solution is decomposed and not mineralized by Fenton's reagent (300 s). © 2015, Central South University of Technology. All right reserved.


Hao G.,Shijiazhuang University of Economics | Hao G.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources | Wang W.,Shijiazhuang University of Economics | Wang W.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources | And 4 more authors.
Jixie Qiangdu/Journal of Mechanical Strength | Year: 2010

Two new methods are presented for computing engineering structure reliability by direct searching the next checking point and accelerating convergence based on the analysis of errors in the center point method and borrowing ideas form the merits of the other first-order second moment (FOSM) methods. The idea of the direct searching method is constructing a new explicit searching formula to make the new checking point being more closed to the failure surface based on the results of the center point method. The new checking point has steepest descent character because the searching path is the gradient of the approximate surface. The accelerating convergence method is based on the first class Chebyshev polynomials. Firstly, the transformation relation of the first class Chebyshev polynomials and the power polynomials is given and expanded to vector formula. Secondly, the outstanding function approximate character of the first class Chebyshev polynomials can supply the high order information for the choosing of approximately surface. An example shows that both the methods presented in this article have well precision. Although the direct searching formula may not reach the globally optimal point, the error can be controlled owing to the locally optimal plan at each searching step. And although the accelerating converge nce method needs choose the format of the structural function properly for get the high precision results, the method can serve as an effective for engineering estimate owing to non-iterative formula and convenience.


Du H.,Shijiazhuang University of Economics | Du H.,Hebei Province Key Laboratory of Sustained Utilization and Development of Water Resources | Zheng C.,Shijiazhuang University of Economics
Journal of Non-Crystalline Solids | Year: 2011

Amorphous silica microcoils were prepared by catalyst-free carbothermal route. The lengths of them could reach as long as several hundreds of micrometers. From the morphological perspective, the microcoils could be grouped into two categories: one type was formed from an individual microwire, whereas the other type consisted of two intertwined microwires. The silica microcoils were formed spontaneously in a conventional vapor-solid growth process and the competition between the fluctuation of the pressure and the growth inertia was invoked to explain the formation of the coiled morphology. The photoluminescence (PL) spectrum of the product showed two bands centered at 416 nm and 438 nm under excitation at 320 nm. © 2011 Elsevier B.V. All rights reserved.

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