Hydroisomerization of n-Pentane over Zn-Fe-S2O8-2/ZrO2-Al2O3 Superacid Catalyst: Activity, Surface Analysis and the Investigation of Deactivation and Regeneration

The Zn and Fe modified /ZrO2-Al2O3 catalyst (Zn-Fe-SZA) was prepared and mechanisms of deactivation and methods for regeneration of as-prepared catalyst were explored with n-pentane isomerization as a probe reaction. The results indicated that the isopentane yield of the fresh Zn-Fe-SZA-F catalyst was about 57% at the beginning of the run, and declined gradually to 50% within 1500 min, then fell rapidly from 50% to 40% between 1500 and 2500 minutes. The deactivation of Zn-Fe-SZA catalyst may be caused by carbon formation on surface of the catalyst, sulfate group attenuation owing to reduction by hydrogen, removal of sulfur species and the loss of strong acid sites. It was found that the initial catalytic activity over Zn-Fe-SZA-T catalyst was 48%, which recovered by 84.3% as compared to that of fresh catalyst (57%). However, it showed a sharp decrease in isopentane yield from 48% to 29% within 1500 minutes, showing poor stability. This is associated to the loss of acidity caused by removal of sulfur species cannot be basically restored by thermal treatment. Resulfating the calcined catalyst could improve the acidity of catalyst significantly, especially strong acid sites, as compared with the calcined sample. The improved stability of the resulfated catalyst can be explained by: 1) eliminaton of carbon deposition to some extent by calcination process, 2) formation of improved acidic nature by re-sulfation, favoring isomerization on acidic sites, 3) restructuring of the acid and metal sites via the calcination-re-sulfation procedure.

Hirshfeld Surface Analysis for Investigation of Intermolecular Interaction of Molecular Crystals

Hirshfeld surface analysis has been widely used in recent years as a means to quantify and visualize various types of intermolecular interactions in molecular crystals. This review article introduces intermolecular interactions discussed with Hirshfeld surface analysis and 2D fingerprint plots. In addition, using CIF files obtained from our previous results, Hirshfeld surface analysis was newly performed, and the resulting 3DHirshfeld surfaces, 2D print plots, molecular structural features, and crystal structure relationships were described. Classification of their intermolecular interactions, statistical discussion focused on crystalline water and perspective on ligand-protein docking are also mentioned.

Surface Analysis of Chemical Stripping Titanium Alloy Oxide Films

The chemical stripping method of titanium alloy oxide films was studied. An environment friendly solution hydrogen peroxide and sodium hydroxide without hydrofluoric acid or fluoride were used to strip the oxide films. The morphologies of the surface and cross-section of the oxide films before and after the films stripping were characterized by using scanning electron microscopy （SEM）. The microstructure and chemical compositions of the oxide films before and after the films stripping were investigated by using Raman spectroscopy （Raman） and X-ray photoelectron spectroscopy （XPS）. It was shown that the thickness of the oxide film was in the range of 5-6 μm. The oxide films were stripped for 2 to 8 min in the solution. Moreover, the effect of the stripping time on the efficiency of the film stripping was investigated, and the optimum stripping time was between 6-8 min. When the stripping solution completely dissolved the whole film, the α/β microstructure of the titanium alloy Ti-10V-2Fe-3Al was partly revealed. The stripping mechanism was discussed in terms of the dissolution of film delamination. The hydrogen peroxide had a significant effect on the dissolution of the titanium alloy anodic oxide film. The feasibility of the dissolution reaction also was evaluated.

A New Dinuclear Zinc Polymer Based on 3-Methoxy-2-hydroxybenzaldehyde:Synthesis,Structure,Spectral Characterization and Hirshfeld Surface Analysis

A highly efficient fluorescence material dinuclear zinc polymer [Zn2（mhbd）2（dca）2]n （1, Hmhbd is 3-methoxy-2-hydroxybenzaldehyde, dca is N（CN）2？） has been synthesized under room temperature and structurally characterized by elemental analysis, IR, and single-crystal X-ray diffraction. The structure belongs to the triclinic system, space group P with a = 8.475（1）, b = 9.595（1）, c = 15.001（1） A, α = 86.84（1）, β = 81.10（1）, γ = 68.78（1）°, Mr = 565.15, V = 1123.5（1） ？3, Dc = 1.671 g？cm–3, F（000） = 568, μ = 2.185 mm–1, R = 0.0451, and wR = 0.1297. 1 is a dinuclear zinc complex which further constructs a 1D chain through double μ1,5-dca bridge. Luminescent property and Hirshfeld surface analysis of 1 have been studied. The result indicates that the fluorescence intensity of complex 1 is forty-one times the fluorescence intensity of Hmhbd ligand.

One Novel 2D Co(Ⅱ) Polymer with 1,2,3-Triazole Derivative: Crystal Structure, Fluorescence and Hirshfeld Surface Analysis

One new polymer [Co（L）（H2O）2]n（1） was synthesized by 4-（ethoxycarbonyl）-5-methyl-1H-1,2,3-triazole-1-carboxylic acid（Emtc） under the in situ solvent thermal reaction（H2L = 1-（carboxymethyl）-5-methyl-1H-1,2,3-triazole-4-carboxylic acid）. The title complex performs a wave-like 2D framework and the ligand H2L demonstrates the coordination mode as μ4-η-2：η-1η-1：η-1. The crystal structure has been established by single-crystal X-ray diffraction, and characterized by FT-IR. Fluorescent property was investigated in this work. Hirshfeld surface analysis has also been carried out on 1, and obvious main intermolecular interactions are observed.

Asphaltene Erosion Process in Air Plasma: Emission Spectroscopy and Surface Analysis for Air-Plasma Reactions

Optical emission spectroscopy （OES） was applied for plasma characterization during the erosion of asphaltene substrates. An amount of 100 mg of asphaltene was carefully applied to an electrode and exposed to air-plasma glow discharge at a pressure of 1.0 Torr. The plasma was generated in a stainless steel discharge chamber by an ac generator at a frequency of 60 Hz, output power of 50 W and a gas flow rate of 1.8 L/min. The electron temperature and ion density were estimated to be 2.15±0.11 eV and （1.24±0.05）× 10^16 m^-3, respectively, using a double Langmuir probe. OES was employed to observe the emission from the asphaltene exposed to air plasma. Both molecular band emission from N2, N2＋, OH, CH, NH, O2 as well as CN, and atomic light emission from V and Hγ were observed and used to monitor the evolution of asphaltene erosion. The asphaltene erosion was analyzed with the aid of a scanning electron microscope （SEM） equipped with an energy dispersive X-ray （EDX） detector. The EDX analysis showed that the time evolution of elements C, O, S and V were similar and the chemical composition of the exposed asphaltenes remained constant. Particle size evolution was measured, showing a maximum size of 2307 μm after 60 min. This behavior is most likely related to particle agglomeration as a function of time.

A Novel Dinuclear Copper(Ⅱ)Complex:Synthesis,Crystal Structure,Properties and Hirshfeld Surface Analysis

A novel copper complex [Cu2（L）（DMF）2]（1, H4L =（1 Z,N？Z）-3,5-dibromo-N？-（（3,5-dibromo-2-hydroxyphenyl）（hydroxy）methylene）-2-hydroxybenzohydrazonic acid which was synthesized by in-situ oxidation reaction derived from H2hdb（H2hdb = 6,6′-（（1 E,1？E）-hydrazine-1,2-diylidenebis（methanylylidene）） bis（2,4-dibromophenol）） has been synthesized and characterized by IR, elemental analysis（CHN）, TG and single-crystal X-ray diffraction. The single crystal belongs to monoclinic system, space group P21/c with a = 13.538（1）, b = 3.912（1）, c = 23.778（1）A°, β = 105.232（5）o, Mr = 857.08, V = 1214.9（1） A°^3, Z = 2, Dc = 2.343 g/cm^3, F（000） = 824, μ = 8.375 mm^–1, R = 0.0566, and w R = 0.1610. Compound 1 displays weak anti-ferromagnetic interactions through a η^1：η^1：η^1：η^1：η^1：η^1：μ2-L^4- bridging mode. Hirshfeld surface analysis revealed that complex 1 was supported mainly by Br···H and H···H intermolecular interactions.

A Novel Copper(Ⅱ)Complex Based on 4-Amino-1,2,4-triazole Schiff-base:Synthesis,Crystal Structure,Spectral Characterization,and Hirshfeld Surface Analysis

A novel copper complex Cu2（L）4（1, HL = 2-ethoxy-6-（[1,2,4]triazol-4-yliminomethyl）-phenol） has been synthesized and characterized by IR, single-crystal X-ray diffraction, and elemental analysis（CHN）. The single crystal belongs to the triclinic system, space group P1 with a = 10.0991（10）, b = 10.5280（12）, c = 10.5777（11） A, α = 97.230（9）, β = 90.640（8）, γ = 92.412（9）°, Mr = 1052.05, V = 1114.6（2） A3, Z = 1, Dc = 1.567 g/cm3, F（000） = 542, μ = 1.029 mm–1, R = 0.0562 and w R = 0.1562. The fluorescence and electrochemiluminescence（ECL） of 1and HL ligand were studied. The luminescence properties of 1 can be attributed to the ligand-metal charge transfer.

A New Non-centrosymmetric Microporous Fluorinated Iron Phosphate： Structural Elucidation, Spectroscopic Study and Hirshfeld Surface Analysis

The crystal structure of a new non-centrosymmetric microporous fluorinated iron phosphate, （H30）2[Fe4（H2O）2F4（PO4）2（HPO4）2]（H2O）, was determined by single crystal X-ray diffraction analysis and the result reveals that it belongs to the orthorhombic system with four molecules in the unit cell（space group P212121）. Thus, the complex was characterized by powder X-ray diffraction, spectroscopic techniques（Fourier transform infrared and Fourier transform Raman） and 19F MAS NMR. The elemental analysis of the sample was also carried out. The chiral inorganic sheets, which stacked along [100] showed the presence of FeF2O4 as well as FeF2O3H2O octahedra, PO4 besides HPO4 tetrahedra, hydronium ions（H3O＋） and isolated water molecules. Hirshfeld surface analysis, especially dnom surface and fingerprint plots, were used for decoding the intermolecular interactions in the crystal network and the contribution of component units for the construction of the 3D architecture. From the Hirshfeld surfaces and 2D fingerprint analysis, it was found that the subtle interactions, such as H...H associating the third intense interaction of all intercontacts, provide extra stabilization in addition to the presence of the strong hydrogen bonds mentioned above.

Multi-criteria comparative analysis of the pressure drop on coal gangue fly-ash slurry at different parts along an L-shaped pipeline

Disposing of coal gangue and fly-ash on the surface is a risky method with tremendous potential catastrophic consequences for the environment.Backfill mining is a promising practice for turning those hazardous wastes into functional backfill materi-als.Unfortunately,how to efficiently deliver the slurry to the desired places remains under-researched.To address this issue,the computational fluid dynamics software Fluent was used in the current study in addition to a laboratory rheological test to simulate the impact of various parameters on the evolution of pressure at a particular section of the pipeline.Furthermore,the response surface method was employed to investigate how the various components and their corresponding influencing weights interact to affect the pressure drop.This study demonstrates that the pressure drop of the slurry is highly influenced by slurry concentration,speed,and pipe diameter.While conveying speed is the main component in the bend section,pipe diameter takes over in the horizontal and vertical pipe sections.

Effect of Fibre Size on Mechanical Properties and Surface Roughness of PLA Composites by Using Fused Deposition Modelling (FDM)

Naturalfibre as a reinforcing agent has been widely used in many industrial applications.Nevertheless,several factors need to be considered,such as the size and weight percentage of thefibre used in binding.Using fused deposition modelling(FDM),this factor was investigated by varying the size of naturalfibre as the responding variable with afixed weight percentage of kenaffibre.The process of modifying the naturalfibre in terms of size might increase the dispersion of kenaffibre in the polymer matrix and increase the adhesion bonding between thefibre and matrix of composites,subsequently improving the interfacial bonding between these two phases.In this paper,the effect offibre size was evaluated by performing the mechanical test,Scanning Electron Micrograph(SEM)to observe the morphology of the composites,and also by surface analysis.The surface roughness was visualised using a 3D profilometer and thefigure was illustrated as colour shading in the image.The composite withfibre size≤100μm displayed better tensile andflexural strength,compared to other sizes.In conclusion,by reducing the size of thefibre,the composites could develop high strength performance for industrial applications.

Noise Reduction Technique Applied to the Multichannel Analysis of Surface Waves

This paper shows the presence of noises and technique to reduce these noises during the surface wave analysis. The frequency-dependent properties of Rayleigh-type surface waves can be used for imaging and characterizing the shallow subsurface. Interference by coherent source-generated noise inhibits the reliability of shear-wave velocities determined through inversion of the phase velocities of Rayleigh waves. Among these interferences by non-planar, non-fundamental mode Rayleigh waves （noise） are body waves, scattered and non-source-generated surface waves, and highermode surface waves. For the reduction of noise, the filtering technique is implemented in this paper for the multichannel analysis of surface wave method （MASW）. With the de-noising technique during the MASW method, more robust and reliable outcome is achieved. The significance of this paper is to obtain pre-awareness about noises during surface wave analysis and take better outcomes with denoising performance in near surface soil investigations.

Thermal Analysis of Implant-Defined Vertical Cavity Surface Emitting Laser Array

A three-dimensional electrical-thermal coupling model based on the finite element method is applied to study thermal properties of implant-defined vertical cavity surface emitting laser （VCSEL） arrays. Several parameters including inter-element spacing, scales, injected current density and substrate temperature are considered. The actual temperatures obtained through experiment are in excellent agreement with the calculated results, which proves the accuracy of the model. Due to the serious thermal problem, it is essential to design arrays of low self-heating. The analysis can provide a foundation for designing VCSEL arrays in the future.

Doppler Spectrum Analysis of Time-Evolving Sea Surface Covered by Oil Spills

Based on the model of a contaminated sea surface that was proposed by Lombardini et al., the influence of the damping effect of oil films on the sea surface roughness spectrum and the geometrical structure of the sea surface is examined in detail by comparing with a clean sea surface. Fhrthermore, based on a quasi-stationary algorithm, a time series of backscattered echoes from a time-evolving sea surface covered by oil slicks is obtained by utilizing the frequency-domain numerical method of the parallel fast multiple method. Then, the Doppler spectrum is evaluated by performing a standard spectral estimation technique. Finally, the influence of the oil film damping effect on the Doppler spectrum of the backscattered echoes from time-evolving sea surface is investigated in detail by making a comparison of the Doppler spectrum of an oil-covered sea surface with the Doppler spectrum of a dean sea surface. The numerical simulations show that the damping effect of oil films has an influence on the Doppler spectrum signature for both horizontal-to-horizontal and vertical-to-vertical polarizations.

ANALYSIS OF SURFACE CRACK ON FORWARD EXTRUDING BAR DURING AXISYMMETRIC CUP-BAR COMBINED EXTRUSION PROCESS

In this paper, the kinematically admissible velocity field with surface crack on forward extruding bar is put forward during the axisymmetric cup-bar combined extrusion process, in accordance with the results of model experiments.On the basis of velocity field, the necessary condition for surface crack formation on the forward extruding bar is derived, with the help of upper bound theorem and the minimum energy principle. Meanwhile, the relationships between surface crack formation and combination of reduction in area for the part of forward and backward extursions relative residual thickness of billet (T/R0),frictional factor (m) or relative land length of ram and chamber are calculated during the extrusion process. Therefore, whether the surface crack on forward exturding bar occurs can be predicted before extruding the lower-plasticity metals for axisymmetric cup-bar combined extrusion process.The analytical results agree very well with experimental results of aluminium alloy LY12 (ASTM 2024) and LC4 (ASTM 7075).

Beam Steering Analysis in Optically Phased Vertical Cavity Surface Emitting Laser Array

Beam steering in implant defined coherently coupled vertical cavity surface emitting laser （VCSEL） arrays is simulated using the FDTD solution software. Angular deflection dependent on relative phase differences among elements, inter-element spacing, element size and emitted wavelength is analyzed detailedly and systematically. We design and fabricate 1×2 implant defined VCSEL arrays for optimum beam steering performance. Electroni- cally controlled beam steering with a maximum deflection angle of 1.6° is successfully achieved in the 1 × 2 VCSEL arrays. The percentage of the power in the central lobe is above 39% when steering. The results show that the steering is controllable. Compared with other beam steering methods, the fabrication process is simple and of low cost.

NONLINEAR STABILITY ANALYSIS OF A SANDWICH SHALLOW CYLINDRICAL PANEL WITH ORTHOTROPIC SURFACES

In this paper, the large deflection theory is adopted to analyse the geometrical nonlinear stability of a sandwich shallow cylindrical panel with orthoiropic surfaces. The critical point is determined and the postbitckling behaviour of the panel is studied.

An Analysis of the Turbulent Structure in the Unstable Surface Layer nearby a Shelter Belt

An analysis was performed of the turbulent data obtained from Yucheng experimental station in the Shandong Province in 1984. [t is shown that at variant wind speed, the spectra of streamwise velocity remain similar and the intensity of wind fluctuations is proportional to wind speed in the downwind area of shelter belt. Therefore, we may decide the similarity of wind fluctuations by a speed scale and a length scale which is not correlated with stability, σu /V0 = F(X / H). The -5/3 power range of temperature spectra extends to lower frequency. The variation of ratio σ0 /T. with stability becomes σ0 / T . = C(X / H)( - Z / L)-1/3 . There is not such an extension of -5 / 3 power range in the humidity spectra.

Effect of deep oxidation of chalcopyrite on surface properties and flotation performance

In this study, chalcopyrite was oxidized in hydrogen peroxide(H_(2)O_(2)) solutions of different concentrations to simulate different degrees of oxidation in real ores, and the effects of H_(2)O_(2) treatment on chalcopyrite surface properties and flotation performance were investigated by surface analysis techniques and floatation experiments, which implied the reason for the poor grade and recovery of oxidized chalcopyrite concentrate in the production process of the ore. Flotation results showed that when the concentration of H_(2)O_(2) increased from 0%(by weight) to 5%, the flotation recovery of chalcopyrite decreased sharply.However, with increasing H_(2)O_(2) concentration from 5% to 30%, chalcopyrite recovery improved relatively to different degrees with different collector concentrations. Analyses of X-ray photoelectron spectroscopy(XPS) and inductively coupled plasma-atomic optical emission spectrophotometry(ICP-OES) results indicated that the pretreatment with H_(2)O_(2) caused that hydrophilic substance formed on chalcopyrite surface with the dissolution of copper ions, and the dissolution amount of copper increased with the increase of H_(2)O_(2) concentration. UV–visible spectrophotometer and Fourier transform infrared spectrum(FTIR) studies indicated that the pretreatment of chalcopyrite with H_(2)O_(2) had little effect on the adsorption amount of potassium butyl xanthate(PBX) on chalcopyrite surface. However, due to the dissolution of copper ions, PBX interacted with chalcopyrite mainly as buthyl dixanthogen(BX)_(2).

XPS and Cyclic Voltammetric Surface Characterization of Terbium Oxide Electrocatalysts

The surface characteristics and electrochemical behaviors of Tb 4O 7 layers deposited on graphite by thermal decomposition were investigated by means of XPS and cyclic voltammetry at 700 ℃ in NaCl KCl melts. XPS analysis indicates that thermal decomposition products are mainly non stoichiometric and defective structurally oxide. Cyclic polarization on oxide electrode reflects the specific adsorption of Cl - and structural modification of oxide surface. Analysis based on the features of the voltammograms reveals the redox behaviors of Tb oxide layer with different valency states and its correlation to electrocatalytic active. The variation of voltammetric charge was used to characterize the affection of temperature, measure the electrochemical active surface area and monitor the modification of active surface.