Synthesis of highly isotactic poly 1-hexene using Fe-doped Mg(OEt)2/TiCl4/ED Ziegler–Natta catalytic system

In this article, polymerization of 1-hexene with FeCl_3-doped Mg(OET)₂/TiCl₄/electron donor (ED) catalytic system is presented. For this purpose, first a number of TiCl₄ catalysts supported on Mg(OEt)₂ and Fe-doped Mg(OEt)₂ supports were prepared with ethylbenzoate or dibutylphthalate as the internal EDs. After successive catalysts synthesis, they were employed in 1-hexene polymerization using cyclohexyl methyl dimethoxysilane as external ED as well as without it. The catalysts activity and molecular weight distribution (MWD) of poly 1-hexenes (PHs) were influenced strongly by both FeCl₃ doping and donor presence so that a remarkable increase in the catalyst activity was seen in doped catalysts. Deconvolution of MWD curves revealed that increase in the type of active centers by introducing FeCl₃ into the support should be responsible for the broadening of MWD of PHs. ¹³CNMR analysis indicated that while isotacticity does not change considerably by Fe doping, EDs increase its amount as high as 8–21%. Second, the stereoselective behavior of active Ti species in doped and undoped catalysts was fully explored by molecular modeling using density functional theory (DFT) method. Finally, with the aid of rheological measurements, the processability of polymers were evaluated and then the gel permeation chromatography (GPC) results were approved through the values obtained from model fitting as well as changes in moduli crossover modulus.     

The influence of heterogeneous meninges on the brain mechanics under primary blast loading

In the modeling of brain mechanics subjected to primary blast waves, there is currently no consensus on how many biological components to be used in the brain–meninges–skull complex, and what type of constitutive models to be adopted. The objective of this study is to determine the role of layered meninges in damping the dynamic response of the brain under primary blast loadings. A composite structures composed of eight solid relevant layers (including the pia, cerebrospinal fluid (CSF), dura maters) with different mechanical properties are constructed to mimic the heterogeneous human head. A hyper-viscoelastic material model is developed to better represent the mechanical response of the brain tissue over a large strain/high frequency range applicable for blast scenarios. The effect of meninges on the brain response is examined. Results show that heterogeneous composite structures of the head have a major influence on the intracranial pressure, maximum shear stress, and maximum principal strain in the brain, which is associated with traumatic brain injuries. The meninges serving as protective layers are revealed by mitigating the dynamic response of the brain. In addition, appreciable changes of the pressure and maximum shear stress are observed on the material interfaces between layers of tissues. This may be attributed to the alternation of shock wave speed caused by the impedance mismatch.     

Energy use efficiency and economical analysis of almond production: a case study in Chaharmahal-Va-Bakhtiari province,Iran

The aim of this study was to analyse input–output energy and economical assessment of almond production in three age groups of orchards (group I 6–10, group II 11–15 and group III 16–20 years old) in Chahrmahal-Va-Bakhtiari province, Iran. Data for almond production were collected by administering questionnaire in face-to-face interviews from the orchards selected based on random sampling method during a 3-year period. The results showed that 57,027.13, 60,341.14 and 61,640.43 MJ ha^?1 energy was consumed by group I, group II and group III, respectively. The most energy input was consumed by electricity, followed by chemical fertilizer. Energy indices were calculated, and the results revealed that energy efficiency was 0.62, 1.12 and 0.81 in the triple groups of orchards, respectively. Economical assessment showed that total production cost of almond in group I, II and III was $4547.54, $5799.26 and $5687.05 ha^?1, respectively. In all orchard groups, the shares of variable and fixed production costs found to be same nearly. Net return for almond production was $14,516.22, $30,735.19 and $21,395.57ha^?1, respectively. According to the research results, it was concluded that although almond production in the study region was not an efficient process in terms of energy consumption, it was a profitable agricultural operation.     

Synthesis,characterization and investigation of the electrochemical hydrogen storage properties of CuO–CeO2 nanocomposites synthesized by green method

Pure CuO–CeO₂ nanocomposites were synthesized by simple thermal decomposition method in presence of various Cu salts as a copper source and fructose as a green capping agent. In this study, the effect of various parameters such as the type of copper sources, temperature and time of reaction on the morphology and the particles size were studied. The products were characterized via X-ray diffraction (XRD) pattern, scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), transmission electron microscopy (TEM), N2 adsorption (BET), vibrating sample magnetometer (VSM), and infrared spectrum (FT-IR). The optical property of the nanocomposite was examined via UV–vis (DRS) spectroscopy and the band gap was calculated to 3 eV. Also, the hydrogen storage capacity of CuO–CeO₂ nanocomposites and CeO₂ nanoparticles were investigated via chronopotentiometry method for the first time. The discharge capacity of CeO₂ nanoparticles and CuO–CeO₂ nanocomposites in 1 mA current and 20 cycles obtained 2150 and 2450 mAh/g, respectively.     

Investigating the effect of nano-silica on efficiency of the foam in enhanced oil recovery

Due to the vast production of crude oil and consequent pressure drops through the reservoirs, secondary and tertiary oil recovery processes are highly necessary to recover the trapped oil. Among the different tertiary oil recovery processes, foam injection is one of the most newly proposed methods. In this regard, in the current investigation, foam solution is prepared using formation brine, C₁₉TAB surfactant and air concomitant with nano-silica (SiO₂) as foam stabilizer and mobility controller. The measurements revealed that using the surfactant-nano SiO₂ foam solution not only leads to formation of stable foam, but also can reduce the interfacial tension mostly considered as an effective parameter for higher oil recovery. Finally, the results demonstrate that there is a good chance of reducing the mobility ratio from 1.12 for formation brine and reservoir oil to 0.845 for foam solution prepared by nanoparticles.     

An ab initio study on properties of cationic chalcogen bonds in XF2Y+⋯NCZ (X═H,CN, F; Y═S,Se; Z═H,Cl, Br) complexes

The geometries, interaction energies, and bonding properties of cationic chalcogen bonds are studied in binary complexes XF₂Y⁺?NCZ (X═H, CN, F; Y═S, Se; Z═H, Cl, Br). The nature of these interactions is studied by a vast number of methods, including molecular electrostatic potential (MEP), Noncovalent Interaction Index (NCI), quantum theory of atoms in molecules (QTAIM), and natural bond orbital (NBO) analyses. The interaction energies of these complexes vary between ?20.94?kcal/mol in HF₂S⁺?NCH and ?33.72?kcal/mol in F₃Se⁺?NCBr. According to the QTAIM analysis, all these cationic chalcogen bonds are classified as a closed-shell interaction with a partial covalent character. Moreover, cooperative effects between cationic chalcogen bond and hydrogen or halogen bond interactions are studied in ternary XF₂Y⁺?NCZ?NH₃ complexes. These cooperative effects are analyzed in terms of the parameters derived from the QTAIM and NBO analyses, and electron density difference plots.     

Current Distribution and Nonlinearity of Open-Ends and Gaps in Superconducting Microstrip Structures

Superconducting devices are known to produce nonlinear effects. In planar structures, these nonlinearities depend on the current distribution on the strip, which definitely depends on the structure of device. This paper used a numerical method based on 3D-FEM to obtain the current distribution in the open-ends and gaps in the superconducting microstrip structures. This is used to present the nonlinear distributed circuit modeling of these discontinuities and its impact on the nonlinear phenomenon. This nonlinear circuit model is used in the Harmonic Balance (HB) method to analyze nonlinearity in the superconducting microwave devices. Therefore, this simple accurate enough nonlinear circuit model is warmly welcomed to retire the seemingly inevitable use of time- and memory-consuming numerical techniques for nonlinear analysis of discontinuities in superconducting microwave structures. As an example, we analyze a microstrip superconducting end-coupled band pass filter (BPF). These results are very useful for optimizing the resonators of the superconducting microwave filters in order to minimize its nonlinear distortions.     

Effects of rarefaction,viscous dissipation and rotation mode on the first and second law analyses of rarefied gaseous slip flows confined between a rotating shaft and its concentric housing

A parametric analytical study is carried out to scrutinize the mechanism of fluid flow, heat transfer and entropy generation in a low-speed rarefied gaseous flow confined between a shaft and its concentric housing, i.e., the cylindrical Couette flow. In the first law analysis, closed form solutions for the radial temperature profiles are obtained by incorporating the calculated velocity distribution into the energy equation. The derivations for three thermal cases, which are founded on imposing different thermal conditions, namely, the Uniform Heat Flux (UHF) and the Constant Wall Temperature (CWT) boundary conditions, are presented. In the second law analysis, the contributions of thermal diffusion and fluid friction irreversibility to the total entropy generation in the micro domain are illustrated, and the relevant expressions for the Bejan number and the entropy generation number as well as the average entropy generation rate are derived. Finally, the variations of major variables with influential parameters such as the Knudsen number, the Brinkman number and rotation mode are investigated to elucidate the associated effects of rarefaction phenomenon, viscous dissipation and geometric condition on the characteristics of the flow.     

Thermal–economic–environmental analysis and multi-objective optimization of an internal-reforming solid oxide fuel cell–gas turbine hybrid system

In this article, an internal-reforming solid oxide fuel cell–gas turbine (IRSOFC–GT) hybrid system is modeled and analyzed from thermal (energy and exergy), economic, and environmental points of view. The model is validated using available data in the literature. Utilizing the genetic algorithm optimization technique, multi-objective optimization of modeled system is carried out and the optimal values of system design parameters are obtained. In the multi-objective optimization procedure, the exergy efficiency and the total cost rate of the system (including the capital and maintenance costs, operational cost (fuel cost), and social cost of air pollution for CO, NO_x, and CO₂) are considered as objective functions. A sensitivity analysis is also performed in order to study the effect of variations of the fuel unit cost on the Pareto optimal solutions and their corresponding design parameters. The optimization results indicate that the final optimum design chosen from the Pareto front results in exergy efficiency of 65.60% while it leads to total cost of 3.28 million US$ year⁻¹. It is also demonstrated that the payback time of the chosen design is 6.14 years.