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Selective adsorption of tetracycline by β-CD-immobilized sodium alginate aerogel coupled with ultrafiltration for reclaimed water

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Chinese Journal of Chemical Engineering 2024年第4期68卷 27-34页

作者： xi Quan jun Zhang Linlin Yin Wei Zuo yu Tian State Key Laboratory of Urban Water Resource and Environment(SKLUWRE) School of EnvironmentHarbin Institute of TechnologyHarbin 150090China

In this work,a novel composite material based on β-cyclodextrin-immobilized sodium alginate aerogel(β-CD/NaAlg) was developed utilizing cross-linker of epichlorohydrin and applied as an adsorbent to remove tetracycline antibiotics from reclaimed wastewater.A series of characterizations were utilized to confirm the successful synthesis of the adsorbent and this β-CD/NaAlg presented a three-dimensional network at the nanoscale or *** optimal conditions(pH=4,t=8 h,β-CD:NaAlg=9,adsorbent dosage = 1.5 g·L-1),the maximum removal rate of β-CD/NaAlg to tetracycline was 70%.The adsorption behavior of tetracycline on β-CD/NaAlg conformed to the Freundlich isotherm model(R2=0.9977) and the pseudo-second-order kinetic model(R^(2)=0.9993).Moreover,the adsorbent still removed 55.3% of tetracycline after five ***,the adsorbent was integrated with ultrafiltration to adsorb tetracycline antibiotics from simulated reclaimed wastewater,and the removal rate of tetracycline reached 78.9% within 2 *** existence of Cr(Ⅵ) had a negligible impact on tetracycline removal,while the presence of humic acid exhibited a promoting *** possible adsorption mechanisms were also elucidated through X-ray photoelectron spectroscopy and density functional theory *** summary,β-CD/NaAlg represents an environmentally friendly,efficient,and sustainable adsorbent for removing tetracycline antibiotics from reclaimed water.

关键词： b-CD/NaAlg aerogel Covalent grafting Tetracycline antibiotics Ultrafiltration Selective adsorption Reclaimed water

IMPLEMENTATION OF MIXED METHODS AS FINITE DIFFERENCE METHODS AND APPLICATIONS TO NONISOTHERMAL MULTIPHASE FLOW IN POROUS MEDIA

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Journal of Computational Mathematics 2006年第3期24卷 281-294页

作者： Zhang-xin Chen xi-jun yu Center for Scientific Computation Box 750156 Southern Methodist University Dallas TX 75275-0156 USA Research Center for Science Xi'an Jiaotong University Xi'an 710049 China Center for Advanced Reservoir Modeling and Simulation College Vof Engineering'PekingI University China Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing 100088 China

In this paper we consider mixed finite element methods for second order elliptic problems. In the case of the lowest order Brezzi-Douglas-Marini elements （if d = 2） or Brezzi- Douglas-Duran-Fortin elements （if d = 3） on rectangular parallelepipeds, we show that the mixed method system, by incorporating certain quadrature rules, can be written as a simple, cell-centered finite difference method. This leads to the solution of a sparse, positive semidefinite linear system for the scalar unknown. For a diagonal tensor coefficient, the sparsity pattern for the scalar unknown is a five point stencil if d = 2, and seven if d = 3. For a general tensor coefficient, it is a nine point stencil, and nineteen, respectively. Applications of the mixed method implementation as finite differences to nonisothermal multiphase, multicomponent flow in porous media are presented.

关键词： Finite difference Implementation Mixed method Error estimates Superconvergence Tensor coefficient Nonisothermal multiphase Multicomponent flow Porousmedia.

Al-modified yolk-shell silica particle-supported NiMo catalysts for ultradeep hydrodesulfurization of dibenzothiophene and 4,6-dimethyldibenzothiophene:Efficient accessibility of active sites and suitable acidity

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Petroleum Science 2024年第1期21卷 654-666页

作者： Ke yu Wei-Min Kong Zhen Zhao Ai-jun Duan Lian Kong xi-Long Wang State Key Laboratory of Heavy Oil Processing China University of PetroleumBeijing102249China Institute of Catalysis for Energy and Environment College of Chemistry and Chemical EngineeringShenyang Normal UniversityShenyang 110034LiaoningChina

Yolk-shell SiO2 particles(YP)with center-radial meso-channels were fabricated through a simple and effective ***-containing YP-supported NiMo catalysts with different Al amounts(NiMo/AYP-x,x=Si/Al molar proportion)were prepared and dibenzothiophene(DBT)and 4,6-dimethyl-dibenzothiophene(4,6-DMDBT)were employed as the probes to evaluate the hydrodesulfurization(HDS)catalytic *** as-prepared AYP-x carriers and corresponding catalysts were characterized by some advanced characterizations to obtain deeper correlations between physicochemical properties and the HDS *** average pore sizes of series AYP-x supports are above 6.0 nm,which favors the mass transfer of organic *** cavity between the yolk and the shell is beneficial for the enrichment of S-containing compounds and the accessibility between reactants and active *** embedded into the silica framework could facilitate the formation of Lewis(L)and Brønsted(B)acid sites and adjust the metal-support interaction(MSI).Among all the as-synthesized catalysts,NiMo/AYP-20 catalyst shows the highest HDS *** improved HDS activity of NiMo/AYP-20 catalyst is attributed to the perfect combination of excellent structural properties of the yolk-shell mesoporous silica,enhanced acidity,moderate MSI,and good accessibility/dispersion of active components.

关键词： Al-containing yolk-shell silica particles Accessibility Acidity Metal-support interaction Hydrodesulfurization

Local Discontinuous Galerkin Method for Parabolic Interface Problems

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Acta Mathematicae Applicatae Sinica 2015年第2期31卷 453-466页

作者： Zhi-juan ZHANG xi-jun yu Department of Mathematics Nanchang University Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics

In this paper, the minimal dissipation local discontinuous Galerkin method is studied to solve the parabolic interface problems in two-dimensional convex polygonal domains. The interface may be arbitrary smooth curves. The proposed method is proved to be L2 stable and the order of error estimates in the given norm is O（h｜logh｜^1/2）. Numerical experiments show the efficiency and accuracy of the method.

关键词： parabolic interface problem minimal dissipation local discontinuous Galerkin method error estimates

PRECONDITIONING HIGHER ORDER FINITE ELEMENT SYSTEMS BY ALGEBRAIC MULTIGRID METHOD OF LINEAR ELEMENTS

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Journal of Computational Mathematics 2006年第5期24卷 657-664页

作者： yun-qing Huang Shi Shu xi-jun yu Hunan Key Laboratory for Computation and Simulation in Science and Engineering Institute for Computational and Applied Mathematics Xiangtan University Xiangtan 411105 China Laboratory of Computational Physics Institute of Applied physics and Computational Mathematics Beijing 100088 China

We present and analyze a robust preconditioned conjugate gradient method for the higher order Lagrangian finite element systems of a class of elliptic problems. An auxiliary linear element stiffness matrix is chosen to be the preconditioner for higher order finite elements. Then an algebraic multigrid method of linear finite element is applied for solving the preconditioner. The optimal condition number which is independent of the mesh size is obtained. Numerical experiments confirm the efficiency of the algorithm.

关键词： Finite element Algebraic multigrid methods Preconditioned Conjugate Gradient Condition number.

Highly dispersive tetrahedral vanadium species on pure silica ZSM-12 zeolite boosting the selective oxidation of cyclohexane into cyclohexanone

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Science China Chemistry 2024年第7期67卷 2206-2214页

作者： Menglin xie Ting Li Chao Wu xiaoling Liu Jinling Ni Siqin Yao yu Zhou Shibo xi jun Wang State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical EngineeringNanjing Tech UniversityNanjing 211816China Institute of Sustainability for Chemicals Energy and Environment(ISCE2)Agency for ScienceTechnology and Research(A*STAR)Singapore 627833Republic of Singapore College of Materials Science and Engineering Sichuan UniversityChengdu 610065China

The selective oxidation of cyclohexane is a promising green route for the production of KA oil(cyclohexanol and cyclohexanone),but remains a huge challenge to design high-performing heterogeneous catalysts under mild ***,a pure silica ZSM-12(MTW topology)zeolite was applied as the support to immobilize highly dispersive tetrahedrally coordinated vanadium(V)species and the constructed catalyst 1%V/SZ-12 exhibited high efficiency in the fast and selective oxidation of cyclohexane into cyclohexanone with H_(2)O_(2).The reaction completed within 30 s,affording the selectivity of 99%towards cyclohexanone and the extremely high turnover frequency(TOF)of 5,891 h^(-1).1%V/SZ-12 was facilely reused with stable activity and feasibly extended to the oxidation of various cyclohexane *** one-dimensional 12-membered ring microchannels contributed to the formation and accessibility of tetrahedrally coordinated high valent V5+species as the robust active centers,which activated H_(2)O_(2) to generate V–O–O·,the active oxygen species for the electrophilic attack on cyclohexane to produce cyclohexanone as the sole product.

关键词： zeolite metal doping cyclohexane oxidation heterogeneous catalysis

Topological Stability and Entropy for Certain Set-valued Maps

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Acta Mathematica Sinica,English Series 2024年第4期40卷 962-984页

作者： yu ZHANG yu jun ZHU School of Mathematical Sciences Xiamen UniversityXiamen 361005P.R.China

In this paper,the dynamics(including shadowing property,expansiveness,topological stability and entropy)of several types of upper semi-continuous set-valued maps are mainly considered from differentiable dynamical systems points of *** is shown that(1)if f is a hyperbolic endomorphism then for eachε>0 there exists a C^(1)-neighborhood U of f such that the induced set-valued map F_(f,U)has theε-shadowing property,and moreover,if f is an expanding endomorphism then there exists a C^(1)-neighborhood U of f such that the induced set-valued map F_(f,U)has the Lipschitz shadowing property;(2)when a set-valued map F is generated by finite expanding endomorphisms,it has the shadowing property,and moreover,if the collection of the generators has no coincidence point then F is expansive and hence is topologically stable;(3)if f is an expanding endomorphism then for eachε>0 there exists a C^(1)-neighborhood U of f such that h(F_(f,U,ε))=h(f);(4)when F is generated by finite expanding endomorphisms with no coincidence point,the entropy formula of F is ***,the dynamics of the set-valued maps based on discontinuous maps on the interval are also considered.

关键词： Set-valued map orbit space hyperbolic endomorphism perturbation shadowing expansiveness topological stability entropy

Capture Efficiency Analysis in the Circular Restricted Three-body Problem

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Research in Astronomy and Astrophysics 2024年第5期24卷 198-210页

作者： yu-Xuan Miao xi-yun Hou Department of Astronomy and Space Science Nanjing UniversityNanjing 210023China Institute of Space Environment and Astrodynamics Nanjing UniversityNanjing 210023China Key Laboratory of Modern Astronomy and Astrophysics Ministry of EducationNanjing 210023China

Temporary capture efficiency is studied in the framework of the circular restricted three-body problem in two ***, a non-uniform distribution of test particles around the secondary's orbit is obtained by fully accounting the secondary's gravitational influence. Second, the capture efficiency is computed based on the non-uniform distribution. Several factors influencing the result are discussed. By studying the capture efficiency in the circular restricted three-body problem of different mass ratios, a power-law relation between the capture efficiency(p) and the mass ratio(μ) is established, which is given by p ≈ 0.27 × μ^(0.53), within the range of 3.0035 ×10^(-6)≤ μ ≤ 3.0034 × 10^(-5). Taking the Sun–Earth system as an example, the influence from the orbit eccentricity of the secondary on the non-uniform distribution and the capture efficiency is studied. Our studies find that the secondary's orbit eccentricity has a negative influence on the capture efficiency.

关键词： methods numerical-celestial mechanics-planets and satellites dynamical evolution and stability

First-principles study on the diffusion behavior of Cs and I in Cr coating

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Nuclear Science and Techniques 2024年第6期35卷 177-188页

作者： Shu-Ying Lin xiao-Jing Li Lin-Bing Jiang xi-jun Wu Hui-Qin Yin yu Ma Wen-Guan Liu Sino-French Institute of Nuclear Engineering and Technology Sun Yat-Sen UniversityZhuhai 519082China School of Nuclear Science and Technology University of South ChinaHengyang 421001China

Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical *** coating has emerged as an important candidate for mitigating this chemical *** this study,first-principles calculations were employed to investigate the diffusion behavior of Cs and I in the Cr bulk and grain boundaries to reveal the microscopic interaction mitigation mechanisms at the fuel-cladding *** interaction between these two fission products and the Cr coating were studied systematically,and the Cs and I temperature-dependent diffusion coefficients in Cr were obtained using Bocquet’s oversized solute-atom model and Le Claire’s nine-frequency model,*** results showed that the Cs and I migration barriers were significantly lower than that of Cr,and the Cs and I diffusion coefficients were more than three orders of magnitude larger than the Cr self-diffusion coefficient within the temperature range of Generation-IV fast reactors(below 1000 K),demonstrating the strong penetration ability of Cs and ***,Cs and I are more likely to diffuse along the grain boundary because of the generally low migration barriers,indicating that the grain boundary serves as a fast diffusion channel for Cs and I.

关键词： First-principles calculation Fuel cladding chemical interaction Cr coating Fission product Diffusion Grain boundary