Hydrogenation of acetylene into ethane–ethene mixtures over modified Pd–alumina catalysts

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Engineering nanostructures of CuO-based photocatalysts for water treatment: Current progress and future challenges

Nowadays, increasing extortions regarding environmental problems and energy scarcity have stuck the development and endurance of human society. The issue of inorganic and organic pollutants that exist in water from agricultural, domestic, and industrial activities has directed the development of advanced technologies to address the challenges of water scarcity efficiently. To solve this major issue, various scientists and researchers are looking for novel and effective technologies that can efficiently remove pollutants from wastewater. Nanoscale metal oxide materials have been proposed due to their distinctive size, physical and chemical properties along with promising applications. Cupric Oxide (CuO) is one of the most commonly used benchmark photocatalysts in photodegradation owing to the fact that they are cost-effective, non-toxic, and more efficient in absorption across a significant fraction of solar spectrum. In this review, we have summarized synthetic strategies of CuO fabrication, modification methods with applications for water treatment purposes. Moreover, an elaborative discussion on feasible strategies includes; binary and ternary heterojunction formation, Z-scheme based photocatalytic system, incorporation of rare earth/transition metal ions as dopants, and carbonaceous materials serving as a support system. The mechanistic insight inferring photo-induced charge separation and transfer, the functional reactive radical species involved in a photocatalytic reaction, have been successfully featured and examined. Finally, a conclusive remark regarding current studies and unresolved challenges related to CuO are put forth for future perspectives.     

An efficient meshfree point collocation moving least squares method to solve the interface problems with nonhomogeneous jump conditions

We are going to study a simple and effective method for the numerical solution of the closed interface boundary value problem with both discontinuities in the solution and its derivatives. It uses a strong‐form meshfree method based on the moving least squares (MLS) approximation. In this method, for the solution of elliptic equation, the second‐order derivatives of the shape functions are needed in constructing the global stiffness matrix. It is well‐known that the calculation of full derivatives of the MLS approximation, especially in high dimensions, is quite costly. In the current work, we apply the diffuse derivatives using an efficient technique. In this technique, we calculate the higher‐order derivatives using the approximation of lower‐order derivatives, instead of calculating directly derivatives. This technique can improve the accuracy of meshfree point collocation method for interface problems with nonhomogeneous jump conditions and can efficiently estimate diffuse derivatives of second‐ and higher‐orders using only linear basis functions. To introduce the appropriate discontinuous shape functions in the vicinity of interface, we choose the visibility criterion method that modifies the support of weight function in MLS approximation and leads to an efficient computational procedure for the solution of closed interface problems. The proposed method is applied for elliptic and biharmonic interface problems. For the biharmonic equation, we use a mixed scheme, which replaces this equation by a coupled elliptic system. Also the application of the present method to elasticity equation with discontinuities in the coefficients across a closed interface has been provided. Representative numerical examples demonstrate the accuracy and robustness of the proposed methodology for the closed interface problems. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1031–1053, 2015     

Quelques modèles diffusifs capillaires de type KortewegSome diffusive capillary models of Korteweg type.

The purpose of this Note is to propose new diffusive capillary models of Korteweg type and discuss their mathematical properties. More precisely, we introduce viscous models which provide some additional information on the behavior of the density close to vacuum. We actually prove that if some compatibility conditions between diffusion and capillarity are satisfied, some extra regularity information on a quantity involving the density is available. We obtain a non-trivial equality deduced from the special structure of the momentum equation. This Note generalizes to some extent the authors' previous works on the Korteweg model (with constant capillary coefficient) and on the shallow water equation. To cite this article: D. Bresch, B. Desjardins, C. R. Mecanique 332 (2004).     

Adaptive Neuro-Fuzzy Inference System and a Multilayer Perceptron Model Trained with Grey Wolf Optimizer for Predicting Solar Diffuse Fraction

The accurate prediction of the solar diffuse fraction (DF), sometimes called the diffuse ratio, is an important topic for solar energy research. In the present study, the current state of Diffuse irradiance research is discussed and then three robust, machine learning (ML) models are examined using a large dataset (almost eight years) of hourly readings from Almeria, Spain. The ML models used herein, are a hybrid adaptive network-based fuzzy inference system (ANFIS), a single multi-layer perceptron (MLP) and a hybrid multi-layer perceptron grey wolf optimizer (MLP-GWO). These models were evaluated for their predictive precision, using various solar and DF irradiance data, from Spain. The results were then evaluated using frequently used evaluation criteria, the mean absolute error (MAE), mean error (ME) and the root mean square error (RMSE). The results showed that the MLP-GWO model, followed by the ANFIS model, provided a higher performance in both the training and the testing procedures.     

A higher‐order unsplit 2D direct Eulerian finite volume method for two‐material compressible flows based on the MOOD paradigms

A higher‐order unsplit multi‐dimensional discretization of the diffuse interface model for two‐material compressible flows proposed by R. Saurel, F. Petitpas and R. A. Berry in 2009 is developed. The proposed higher‐order method is based on the concepts of the Multidimensional Optimal Order Detection (MOOD) method introduced in three recent papers for single‐material flows. The first‐order unsplit multi‐dimensional Finite Volume discretization presented by SPB serves as foundation for the development of the higher‐order unlimited schemes. Specific detection criteria along with a novel decrementing algorithm for the MOOD method are designed in order to deal with the complexity of multi‐material flows. Numerically, we compare errors and computational times on several 1D problems (stringent shock tube and cavitation problems) computed on 2D meshes with the second‐ and fourth‐order MOOD methods using a classical MUSCL method as reference. Several simulations of a 2D shocked R22 bubble in the air are also presented on Cartesian and unstructured meshes with the second‐ and fourth‐order MOOD methods, and qualitative comparisons confirm the conclusions obtained with 1D problems. These numerical results demonstrate the robustness of the MOOD approach and the interest of using more than second‐order methods even for locally singular solutions of complex physics models. Copyright © 2014 John Wiley & Sons, Ltd.     

Diffuse scattering of modulated structures and quasicrystals

The method of Fourier transforms is applied to the calculation of sharp (coherent) and diffuse (incoherent) scattering of modulated structures and quasicrystals. It is shown that the fundamental difference between both may best be described by introducing different distribution functions of atoms, before applying modulations of the structure.     

常温下 MnO2/Al2O3催化剂催化臭氧氧化甲苯反应

采用浸渍法制备了Al2O3负载的5种过渡金属氧化物催化剂,考察了它们在常温下催化臭氧氧化甲苯的性能,并运用程序升温还原、程序升温氧化、N2吸附-脱附和X射线光电子能谱对催化剂进行了表征.结果表明,NiO/Al2O3,CoO/Al2O3和MnO2/Al2O3催化剂上活性氧中心数量较少,臭氧与甲苯转化率较高;而Fe2O3/...     

原位漫反射傅里叶变换红外光谱研究锰铁基催化剂上低温选择性催化还原反应机理简

采用自蔓延燃烧法制备了Ti_0.9Mn_0.05Fe_0.05O_2-δ催化剂,运用原位漫反射傅里叶变换红外光谱对该催化剂的NO和NH₃稳态吸附以及NO和NH₃瞬态反应进行了详细地分析与讨论. 结果表明,相比于Lewis酸性位,150℃时Brönsted酸性位吸附的NH₃更具有SCR活性;与双齿硝酸盐和桥式硝酸盐相比,NO吸附产生的单齿硝酸盐是主要的中间物种;该SCR反应遵循Eley-Rideal和Langmuir-Hinshelwood机理,但以后者为主. 另外,O₂的存在有利于NO的氧化和配位态NH₃的活化.     

乙二醇溶剂热合成的CeO2的可逆氧化还原性及CO2捕获性能

利用乙二醇的还原性,采用乙二醇溶剂热法制备了表面具有丰富氧空穴的CeO₂-GST纳米晶,对其进行了X射线衍射、透射电镜、X射线光电子能谱、原位H₂还原-O₂氧化循环和CO₂原位红外漫反射表征,并研究了其可逆氧化还原性及CO₂捕获性能. 结果表明,与CeO₂-nanorod和柠檬酸溶胶法合成的CeO₂-CA样品相比,CeO₂-GST纳米晶具有最好的可逆氧化还原性能和循环稳定性,同时在50 ℃下具有最好的CO₂吸附性能（149 μmol/g）. 利用原位红外漫反射光谱研究了CO₂在还原CeO₂表面的吸附情况,发现CO₂主要以双齿碳酸盐和桥连碳酸盐两种形式吸附在CeO₂表面,其中桥连碳酸盐物种不稳定,He吹扫可脱附. 此外,CO₂在CeO₂-nanorod上还会生成稳定的甲酸盐和单齿碳酸盐物种.