Determination of the Optimal River Basin-Wide Agricultural Water Demand Quantities Meeting Satisfactory Reliability Levels

Water Resources Management - The unbridled increase in water demands and beyond-sustainable water withdrawals have led to decrease reliable supply levels, particularly for agricultural purposes in...     

Highly efficient and versatile one-pot synthesis of substituted thienylidene compounds

A novel, efficient, and very mild one-pot synthesis of methyl 2-[(Z)-4-aryl-5-morpholino-3-oxo-2,3-dihydrothiophen-2-ylidene]acetate derivatives under kinetic control has been developed. The title compounds were prepared by the reaction of thioacetomorpholides with dimethyl acetylene-dicarboxylate (DMAD) in the presence of K₂CO₃ in a non-polar solvent with excellent yields.     

Order‐reduction of parabolic PDEs with time‐varying domain using empirical eigenfunctions

A novel methodology for the order‐reduction of parabolic partial differential equation (PDE) systems with time‐varying domain is explored. In this method, a mapping functional is obtained, which relates the time‐evolution of the solution of a parabolic PDE with time‐varying domain to a fixed reference domain, while preserving space invariant properties of the initial solution ensemble. Subsequently, the Karhunen–Loève decomposition is applied to the solution ensemble on fixed spatial domain resulting in a set of optimal eigenfunctions. Further, the low dimensional set of empirical eigenfunctions is mapped on the original time‐varying domain by an appropriate mapping, resulting in the basis for the construction of the reduced‐order model of the parabolic PDE system with time‐varying domain. This methodology is used in three representative cases, one‐ and two‐dimensional (1‐D and 2‐D) models of nonlinear reaction‐diffusion systems with analytically defined domain evolutions, and the 2‐D model of the Czochralski crystal growth process with nontrivial geometry. © 2013 American Institute of Chemical Engineers AIChE J, 59: 4142–4150, 2013     

Influence of a Reactive Organoclay on Polymerization and Properties of Polyurethane Nanocomposites

In this study, segmented polyurethane/clay nanocomposites were prepared via in situ intercalative polymerization of polyether polyol mixed nanoclay with toluene diisocyanate, followed by chain extending with 1,4-butanediol. The reactive prepolymer tended to gel by increasing the clay content from 0.4 to 1.5 wt.%. This unusual phenomenon was found to be caused by a catalytic effect of quaternary ammonium intercalant on the organoclay. The procedure used for intercalated nanocomposites, is confirmed by wide angle X-ray diffraction studies. Thermogravimetric analysis results demonstrated a very good increase in onset degradation temperature by adding only 0.8 wt.% of organoclay.     

Effect of modified single‐wall carbon nanotubes on mechanical and morphological properties of thermoplastic elastomer nanocomposites based on (polyamide 6)/(acrylonitrile butadiene rubber)

Thermoplastic elastomer nanocomposites based on acrylonitrile butadiene rubber (NBR) and polyamide 6 (PA6), with acid functionalized single‐wall carbon nanotubes (SWNT), were prepared via a direct melt‐mixing process in an internal mixer. The influence of SWNT content (0, 0.5, 1, 1.5) on morphological properties of PA6/NBR with different ratios (80/20, 70/30, 60/40) were then investigated. Characterization of nanocomposites was conducted by using transmission electron microscopy, scanning electron microscopy, differential scanning calorimetry, and mechanical properties. Scanning electron microscopy micrographs proved the droplet‐matrix blend morphology in which the size of NBR droplets decreased as the SWNT loading increased, suggesting dispersion of SWNT in the PA6 phase. It was further proved by transmission electron microscopy images, showing homogenous dispersion of SWNT in the PA6 phase. Differential scanning calorimetry results showed a slightly reduced percentage of crystallinity in samples containing SWNT. The mechanical properties of nanocomposites indicated an enhancement in tensile strength, modulus, and hardness on increasing SWNT content. J. VINYL ADDIT. TECHNOL., 22:336–341, 2016. © 2014 Society of Plastics Engineers     

Numerical investigation of grooves effects on the thermal performance of helically grooved shell and coil tube heat exchanger

Heat exchangers are integral parts of important industrial units such as petrochemicals, medicine and power plants. Due to the importance of systems energy consumption, different modifications have been applied on heat exchangers in terms of size and structure. In this study, a novel heat exchanger with helically grooved annulus shell and helically coiled tube was investigated by numerical simulation. Helically grooves with the same pitch of the helical coil tube and different depth are created on the inner and outer wall of annulus shell to improve the thermal performance of heat exchanger. In the first section, thermal performance of the shell and coil heat exchanger with the helical grooves on its outer shell wall was compared with same but without helical grooves. At the second section, helically grooves created on both outer and inner wall of the annulus shell with different groove depths. The results showed that the heat exchanger with grooves on both inner and outer shell wall has better thermal performance up to 20% compared to the heat exchanger with grooves on only outer shell wall. The highest thermal performance achieves at lower flow rates and higher groove depths whereas the pressure drop did not increase significantly.     

Synthesis and Characterization of ZnO Nanoparticles via Thermal Decomposition of Two Zinc(II) Supramolecular Compounds

A new nano-sized Zn(II) complex, [Zn(5,5′-dtbu-2,2′-bipy)Cl₂] _n (1) was synthesized and its structure determined by X-ray crystallography. The new nano-sized complex was prepared at oleic acid as a surfactant at 280 °C and characterized by scanning electron microscopy, elemental analyses and IR spectroscopy. The ZnO nano-particles were synthesized from thermolysis of nano-compound 1 at 600 °C and similar compound, [Zn(5,5′-dimethyl-2,2′-bipy)Cl₂] _n (2), at two different methods. SEM images show the average size of ZnO nano-particles are 78 and 50 nm for the compounds 1 and 2, respectively.     

Effect of process variables on product yield distribution in thermal catalytic cracking of naphtha to light olefins over Fe/HZSM-5

The effect of temperature, WHSV and Fe loading over HZSM-5 catalyst in thermal-catalytic cracking (TCC) of naphtha for the production of light olefins has been studied. The response surface defined by three most significant parameters is obtained from Box-Behnken design method and the optimal parameter set is found. The results show that ethylene increases with temperature, while propylene shows an optimum at 650 °C. Moderate WHSV is favorable for maximum production of light olefins. Addition of Fe to HZSM-5 has a favorable effect on the production of light olefins up to 6% of loading. Excess amount of loading decreases the conversion of naphtha, which leads to a drop in light olefin yields. The yield of light olefins (ethylene and propylene) at 670 °C, 44 hr⁻¹ and 6 wt% Fe has been increased to 5.43 wt% compared to the unmodified HZSM-5 and reaches to 42.47 wt%.     

Second-order data obtained from differential pulse voltammetry: Determination of tryptophan at a gold nanoparticles decorated multiwalled carbon nanotube modified glassy carbon electrode

Three-way data obtained from different pulse heights of differential pulse voltammetry (DPV) was analyzed using multivariate curve resolution by alternating least squares (MCR-ALS) algorithm. Differential pulse voltammograms of tryptophan were recorded at a gold nanoparticles decorated multiwalled carbon nanotube modified glassy carbon electrode (GCE/MWCNTs-nanoAu). The determination of tryptophan was performed even in the presence of unexpected electroactive interference(s). Both the simulated and experimental data were non-bilinear. Therefore a potential shift algorithm was used to correct the observed shift in the data. After correction, the data was augmented and MCR-ALS was applied to the augmented data. A relative error of prediction of less than 8% for the determination of the simulated analyte of interest and tryptophan in synthetic samples indicated that the methodology employing voltammetry and second-order calibration could be applied to complex analytical systems.