Abstract: 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.
Abstract: 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).
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.