Quantitative characterization of carrier injection across metal–organic interfaces using Bardeen theory

We have investigated the contact between a metal and an organic/polymeric (o/p) material and we have introduced a relation for carrier injection using Bardeen theory. A series of narrow barriers is considered in the semiconductor side to account for the localized nature of the carriers in the o/p material. As an application of the model, we have calculated the hopping rate of carriers in terms of the contact parameters. Also, we have discussed the hopping of carriers deep into the organic dielectric. Finally, we have explored the hopping rate in practical contacts between polyfluorene-based polymers and different electrodes.     

Antioxidants and antiradicals in almond hull and shell (Amygdalus communis L.) as a function of genotype

To compare the antioxidant and antiradical activity of Amygdalus communis L. hulls and shells phenolic extracts in different genotypes, 18 A. communis L. genotypes were selected from those in Qooshchi, Qalgachi, Qovarchin Qale, Najaf Abad, Jamal Abad, Kahriz, Sfahlan of West and East Azerbayjan provinces of Iran in 2007. The fruits of these almonds were collected, their hulls and shells dried, ground and then methanolic extracts prepared from these hulls and shells. Total phenolic content was determined using the Folin–Ciocalteu (F–C) method. The extracts’ reducing power and scavenging capacity for radical nitrite, hydrogen peroxide and superoxide were evaluated. Significant differences were found in phenolic content of hulls and shells among various genotypes, radical scavenging capacity percentage varied significantly among genotypes and their hulls and shells. S₃-7 genotype with the highest phenolic content and antioxidant activity in its hulls represents a valuable genotype for procuring antioxidant phenolic compounds.     

Synthesis and characterization of novel biodegradable water dispersed poly(ether-urethane)s and their MWCNT-AS nanocomposites functionalized with aspartic acid as dispersing agent

New biodegradable poly(ether-urethane)s (PEU)s were synthesized via the reaction of L-leucine anhydride cyclo-peptide, polyethylene glycol-1000 and hexamethylene diisocyanate. Then, they were end-functionalized with aspartic acid (AS) as a dispersing agent and were dispersed in water. MWCNTs were also functionalized by AS under microwave irradiation. Polymer/MWCNT-AS composites and polymer/MWCNT-AS water dispersed composites were prepared through an ultrasound-assisted method. We have designed these PEUs with two different structural architectures (PA1and PA2) which can be readily dispersed in water (PA1-D and PA2-D). The structure and properties of the polymers, MWCNTs-AS and PEUs/MWCNTs-AS composites were investigated by FTIR and NMR spectroscopy methods and FE-SEM, TEM and TGA techniques. The particle sizes of the resulting PA1-D and PA2-D dispersions were in the range of 200–300 nm. The results showed that by increasing MWCNT-AS loading, the degradation rate and particle sizes of the dispersed composites decreased, while thermal stability and dispersion stability of the composite systems increased. The degradation tests of polymers and their composites in PBS at 37 °C after 10 days showed weight losses ranging from 23 to 44 and 17–37%, respectively. The cytotoxicity study of polymers using the direct-contact test on L929 mouse fibroblast cell line showed no toxicity. Other properties such as thermal stability, dispersion’s particle size, degradation rate and morphology of the composites were studied, and the effect of simultaneous dispersion of MWCNTs-AS and PEUs in water on the properties of the resulting mixtures was studied. We suggest that these polymers have tunable properties which may potentially be considered for drug carriers’ studies.     

Representation of Dynamic Positioning on Hovering Type Autonomous Underwater Vehicle in Precise Welding Operations

This paper proposes dynamic positioning (DP) on a hovering autonomous underwater vehicle (HAUV) to perform accurate underwater processes such as welding operations. High maneuverability, high controllability, and hovering of the robot were the prerequisites of this operation, which increase its accuracy and velocity and reduce costs and human health risks. Other types of thrusters were used in this robot to reduce the number of thrusters and controller''s complexity. Controlling every 6 degrees of freedom to perform this type of operation was done. Furthermore, such a delicate operation required controlling the translational and rotational movements together. There was also a need to control the velocities to travel in a prescribed distance at a reasonable time. The possibility of dynamic positioning for welding and maintaining position at a point was defined for the robot. Then the robot''s performance under a defective state-servo motor failure, thruster malfunction-and the subsequent effects on the performance during the predetermined missions were investigated. Simulation results demonstrated that the HAUV has the capability to perform dynamic positioning operations. In this article, one of the prevalent classic control methods called PID controller was employed for controlling the movements of the robot.     

Simulation of clinker grinding circuits of cement plant based on process models calibrated using GA search method简

Particle size distributions of obtained samples from several sampling campaigns were determined and raw data were mass balanced before being used in simulation studies.After determination of breakage function,selection function,Bond work index,residence time distribution parameters,and Whiten＇s model parameters for air separators and diaphragms between the two compartments of tube ball mills,performance of the circuits was simulated for given throughputs and feed particle size distribution.Whiten＇s model parameters were determined by GA（genetic algorithm） toolbox of MATLAB software.Based on implemented models for modeling and simulation,optimization of circuits was carried out.It increased nearly 10.5% and 15.8% in fresh feed capacity input to each tube ball mill.In addition,circulating load ratios of circuits are modified to 118% and 127% from low level of 57% and 22%,respectively,and also cut points of air separators are adjusted at 30 and 40 μm from high range of 53 and 97 μm,respectively.All applications helped in well-operation and energy consumption reduction of equipments.     

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.     

Mechanism of the reversibility of asphaltene precipitation in crude oil

Asphaltene precipitation and deposition occur in petroleum reservoirs as a change in pressure, temperature and liquid phase composition and reduce the oil recovery considerably. In addition to these, asphaltene precipitates may deposit in the pore spaces of reservoir rock and form plugging, which is referred to as a type of formation damage, i.e. permeability reduction. In all cases above, it is of great importance to know under which conditions the asphaltenes precipitate and to what extent precipitated asphaltenes can be re-dissolved. In other words, to what extent the process of asphaltene precipitation is reversible with respect to change in thermodynamic conditions. In present work, a series of experiments was designed and carried out to quantitatively distinguish the reversibility of asphaltene precipitation upon the change in pressure, temperature and liquid composition. Experiments were conducted in non-porous media. Generally it was observed that the asphaltene precipitation is a partial reversible process for oil under study upon temperature change with hysteresis. However, the precipitation of asphaltene as a function of mixture composition and pressure is nearly reversible with a little hysteresis.     

Improving Daily and Monthly River Discharge Forecasts using Geostatistical Ensemble Modeling

Water Resources Management - In this paper, daily and monthly runoff discharge forecasts are improved by developing an ensemble model based on the Bayesian maximum entropy (BME), which integrates...