[Ti(OC4H9)4/2,5-Dimethoxytetrahydrofuran/ TEA/Ethylene Chlorobromide] as a Novel Homogeneous Catalyst System Effective for the Ethylene Dimerization Reaction

In the present research, the titanium-catalyzed ethylene dimerization and more specifically, the concomitant byproducts and polymer formation have been studied in the presence of 2,5-dimethoxytetrahydrofuran as an electron donor compound in the combination with triethylaluminium (TEA) as activator. Then, we added ethylene chlorobromide as a new efficient promoter to the relevant catalyst system. Finally, the behavior of novel homogeneous [Titanium tetrabutoxide (Ti(OC4H9)4)/2,5-dimethoxytetrahydrofuran/ TEA/ethylene chlorobromide] was investigated in the various operating conditions for the optimum production of 1-butene. In the optimum conditions, a very high ethylene conversion (almost 90.77 %), a relative high selectivity to 1-butene (79.00 %), yield of reaction equal to 71.70 % and a significant productivity (turnover frequency equal to 1370 h-1) were achieved.

Theoretical Investigation of Carbazole-Based D-D-π-A Organic Dyes for Efficient Dye-Sensitized Solar Cell

In this paper, four carbazole-based D-D-π-A organic dyes code as CCT2A, CCT3A, CCT1PA and CCT2PA were reported. A series of these organic dyes containing identical donor and acceptor group but different π-system. The effect of replacing of thiophene by phenyl thiophene as π-system on the physical properties has been focused. The structural, energetic properties and absorption spectra were theoretically investigated by means of Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT). The results show that nonplanar conformation due to steric hindrance in donor part (cabazolecarbazole unit) of dye molecule can prevent unfavorable dye aggregation. By means of the TD-DFT method, the absorption spectra were calculated by B3LYP and BHandHLYP to study the affect of hybrid functional on the excitation energy (Eg). The results revealed the increasing of thiophene units not only resulted in decreasing of Eg, but also found the shifting of absorption spectra to higher wavelength. TD-DFT/BHandHLYP calculated results are more strongly agreed with the experimental data than B3LYP functions. Furthermore, the adsorptions of CCT2A and CCT3A on the TiO2 anatase (101) surface were carried out by mean of the chemical periodic calculation. The result exhibit the strong adsorption energy. The calculated results provide our new organic dyes can be effectively used as dye for Dye Sensitized Solar Cell (DSC).

Stock Portfolio Selection Using Chemical Reaction Optimization

Stock portfolio selection is a classic problem in finance, and it involves deciding how to allocate an institution-s or an individual-s wealth to a number of stocks, with certain investment objectives (return and risk). In this paper, we adopt the classical Markowitz mean-variance model and consider an additional common realistic constraint, namely, the cardinality constraint. Thus, stock portfolio optimization becomes a mixed-integer quadratic programming problem and it is difficult to be solved by exact optimization algorithms. Chemical Reaction Optimization (CRO), which mimics the molecular interactions in a chemical reaction process, is a population-based metaheuristic method. Two different types of CRO, named canonical CRO and Super Molecule-based CRO (S-CRO), are proposed to solve the stock portfolio selection problem. We test both canonical CRO and S-CRO on a benchmark and compare their performance under two criteria: Markowitz efficient frontier (Pareto frontier) and Sharpe ratio. Computational experiments suggest that S-CRO is promising in handling the stock portfolio optimization problem.

Fatigue Properties of Steel Sheets Treated by Nitrooxidation

Low carbon deep drawing steel DC 01 according to EN 10130-91 was nitrooxidized in dissociated ammonia at 580°C/45 min and consequently oxidised at 380°C/5 min in vapour of distilled water. Material after nitrooxidation had 54 % increase of yield point, 34 % increase of strength and 10-times increased resistance to atmospheric corrosion in comparison to the material before nitrooxidation. The microstructure of treated material consisted of thin ε-phase layer connected to layer containing precipitated massive needle shaped Fe4N - γ' nitrides. This layer passed to a diffusion layer consisting of fine irregular shaped Fe16N2 - α'' nitrides regularly dispersed in ferritic matrix. Fatigue properties were examined under bending load with frequency of 20 kHz and sinusoidal symmetric cycle. The results confirmed positive influence of nitrooxidation on fatigue properties as fatigue limit of treated material was double in comparison to untreated material.

Investigation on Some Ergonomics and Psychological Strains of Common Militarism Protective Clothing

Protective clothing limits heat transfer and hampers task performance due to the increased weight. Militarism protective clothing enables humans to operate in adverse environments. In the selection and evaluation of militarism protective clothing attention should be given to heat strain, ergonomic and fit issues next to the actual protection it offers. Fifty Male healthy subjects participated in the study. The subjects were dressed in shorts, T-shirts, socks, sneakers and four deferent kinds of militarism protective clothing such as CS, CSB, CS with NBC protection and CS with NBC- protection added. Ergonomically and psychological strains of every four cloths were investigated on subjects by walking on a treadmill (7km/hour) with a 19.7 kg backpack. As a result of these tests were showed that, the highest heart rate was found wearing the NBC-protection added outfit, the highest temperatures were observed wearing NBCprotection added, followed by respectively CS with NBC protection, CSB and CS and the highest value for thermal comfort (implying worst thermal comfort) was observed wearing NBC-protection added.

Electrophoretic Motion of a Liquid Droplet within an Uncharged Cylindrical Pore

Electrophoretic motion of a liquid droplet within an uncharged cylindrical pore is investigated theoretically in this study. It is found that the boundary effect in terms of the reduction of droplet mobility (droplet velocity per unit strength of the applied electric field) is very significant when the double layer surrounding the droplet is thick, and diminishes as it gets very thin. Moreover, the viscosity ratio of the ambient fluid to the internal one, σ, is a crucial factor in determining its electrophoretic behavior. The boundary effect is less significant as the viscosity ratio gets high. Up to 70% mobility reduction is observed when this ratio is low (σ = 0.01), whereas only 40% reduction when it is high (σ = 100). The results of this study can be utilized in various fields of biotechnology, such as a biosensor or a lab-on-a-chip device.

Two Dimensionnal Model for Extraction Packed Column Simulation using Finite Element Method

Modeling transfer phenomena in several chemical engineering operations leads to the resolution of partial differential equations systems. According to the complexity of the operations mechanisms, the equations present a nonlinear form and analytical solution became difficult, we have then to use numerical methods which are based on approximations in order to transform a differential system to an algebraic one.Finite element method is one of numerical methods which can be used to obtain an accurate solution in many complex cases of chemical engineering.The packed columns find a large application like contactor for liquid-liquid systems such solvent extraction. In the literature, the modeling of this type of equipment received less attention in comparison with the plate columns.A mathematical bidimensionnal model with radial and axial dispersion, simulating packed tower extraction behavior was developed and a partial differential equation was solved using the finite element method by adopting the Galerkine model. We developed a Mathcad program, which can be used for a similar equations and concentration profiles are obtained along the column. The influence of radial dispersion was prooved and it can-t be neglected, the results were compared with experimental concentration at the top of the column in the extraction system: acetone/toluene/water.

The Influence of Surface Potential on the Kinetics of Bovine Serum Albumin Adsorption on a Biomedical Grade 316LVM Stainless Steel Surface

Polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) in combination with electrochemistry, was employed to study the influence of surface charge (potential) on the kinetics of bovine serum albumin (BSA) adsorption on a biomedical-grade 316LVM stainless steel surface is discussed. The BSA adsorption kinetics was found to greatly depend on the surface potential. With an increase in surface potential towards more negative values, both the BSA initial adsorption rate and the equilibrium (saturated) surface concentration also increased. Both effects were explained on the basis of replacement of well-ordered water molecules at the 316LVM / solution interface, i.e. by the increase in entropy of the system.