Nanoencapsulation of montmorillonite clay within poly(ethylene glycol) nanobeads by electrospraying

The present study describes the preparation and characterization of a novel nanocomposite, based on montmorillonite clay (MMT) encapsulation in poly(ethylene glycol) (PEG) by an electrospraying process. PEG/MMT nanocomposites with MMT contents ranging from 1 to 5 wt % were successfully prepared and characterized in relation to their morphological, spectroscopic, structural, and thermal properties. Scanning electron microscopy, transmission electron microscopy, and atomic force microscopy micrographs showed that the PEG nanobeads formed spherical shapes, and with increasing amount of MMT clay, the size of the beads decreased significantly, ranging from 120 to 3.7 nm. The Fourier transform infrared spectroscopy results suggested that there was no significant chemical interaction between PEG and MMT clay. However, the d‐spacing of MMT clay in PEG/MMT increased, a clear indication of the intercalation of PEG in the interlayer spaces of MMT clay. Furthermore, the thermal stability of PEG polymer decreased upon encapsulation of MMT clay in PEG/MMT composites. Nanoindentation results showed that the hardness and Young's modulus of the PEG/MMT composites increased with 3 wt % loading of MMT. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017 , 134, 45048.     

Fabricating and robust artificial neural network modeling nanoscale polyurethane fiber using electrospinning method

With regard to the fact that currently there is no comprehensive method to predict diameter of polyurethane/solvent fiber from electrospinning, in this study, diameter prediction of polyurethane/solvent fiber was conducted using neural networks and an error of 166 nm was observed. This error shows that artificial neural networks (ANNs) can predict diameter of electrospinning polyurethane fibers well. Then, considering weak repeatability nature of electrospinning in fabricating fibers with desired diameter, least mean square is used to improve stability of neural network model that shows an error of 113 nm, which represented better results compared to common ANN. To investigate the effect of each one of parameters affecting fiber diameter, sensitivity analysis was conducted. Along with this predicting model, sensitivity analysis can be used to reduce parameters space before conducting future studies. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017 , 134, 45116.     

Simple and green method for synthesis of symmetrical dialkyl disulfides and trisulfides from alkyl halides in water; PMOxT as a sulfur donor

An environmentally new, mild and efficient method has been developed for the synthesis of dialkyl disulfides and dialkyl trisulfides in aqueous conditions by a reaction between alkyl halides (and tosylate) and potassium-5-methyl-1,3,4-oxadiazole-2-thiolate (PMOxT) as a sulfur transfer reagent. The advantages of this method are that it occurs under mild reaction conditions, it is base free, it uses water as the solvent and it occurs in high yields. A variety of dialkyl disulfides and dialkyl trisulfides can be obtained in good to excellent yields up to 98%.     

General optimization model for the energy planning of industries including renewable energy: A case study on oil sands

A multi‐period optimization model is developed for the energy procurement planning of industries including renewable energy. The model is developed with the objective of identifying the optimal set of energy supply technologies to satisfy a set of demands (e.g., power, heat, hydrogen, etc.) and emission targets at minimum cost. Time dependent parameters are incorporated in the model formulation, including demands, fuel prices, emission targets, carbon tax, lead time, etc. The model is applied to a case study based on the oil sands operations over the planning period 2015–2050. Various production alternatives were incorporated, including renewable, nuclear, conventional and gasification of alternative fuels. The results obtained indicated that the energy optimization model is a practical tool that can be utilized for identifying the key parameters that affect the operations of energy‐intensive industrial operations, and can further assist in the planning and scheduling of the energy for these industries. © 2016 American Institute of Chemical Engineers AIChE J, 63: 610–638, 2017     

Kinetics of oxidative cracking of n‐hexane to olefins over VOx/Ce‐Al2O3 under gas phase oxygen‐free environment

The kinetics of oxidative cracking of n‐hexane to olefins using lattice oxygen of VO_x/Ce‐Al₂O₃ is investigated. The TPR/TPO analysis shows a consistent reducibility (79%) of VO_x/Ce‐Al₂O₃ in repeated redox cycles. The total acidity of the sample is found to be 0.54 mmol/g with 22% are strong acid sites that favors olefin selectivity. The oxidative cracking of n‐hexane in a fluidized CREC Riser simulator gives approximately 60% olefin selectivity at 30% n‐hexane conversion. A kinetic model is developed considering (1) cracking, (2) oxidative dehydrogenation (ODH), and (3) catalyst deactivations. The proposed cracking mechanism considers adsorption, C–H and C–C bond fission and desorption as elementary steps and implemented by pseudo steady state hypothesis. A Langmuir‐Hinshelwood mechanism is found to represent the ODH reactions. The developed model fits the experimental data with favorable statistical indicators. The estimated specific reaction rate constants are also found to be consistent with the product selectivity data. © 2016 American Institute of Chemical Engineers AIChE J, 63: 130–138, 2017     

Integration of biofuels intermediates production and nutrients recycling in the processing of a marine algae

The cost‐effective production of liquid biofuels from microalgae is limited by several factors such as recovery of the lipid fractions as well as nutrients management. Flash hydrolysis, a rapid hydrothermal process, has been successfully applied to fractionate the microalgal biomass into solid biofuels intermediates while recovering a large amount of the nutrients in the aqueous phase (hydrolyzate) in a continuous flow reactor. The aim of the work is to enhance the quality of a high‐ash containing marine algae Nannochloropsis gaditana as biofuel feedstock while recycling nutrients directly for algae cultivation. Characterization of products demonstrated an increase in extractable lipids from 33.5 to 65.5 wt % (dry basis) while retaining the same fatty acid methyl ester profile, in addition to diminution of more than 70 wt % of ash compared to raw microalgae. Moreover, the hydrolyzate was directly used to grow a microalga of the same genus. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1494–1502, 2017     

Triboelectric charging of monodisperse particles in fluidized beds

To investigate the interplay between particle charging and hydrodynamics in fluidized beds, models for triboelectric charging and electrostatic forces were built into a computational fluid dynamics‐discrete element method model. Charge transfer was governed by the difference in effective work function between contacting materials as well as the electric field at the point of contact. Monodisperse particles were fluidized with an effective work function difference between the particles and the conducting walls. For smaller work function differences, hydrodynamics were not changed significantly as compared with an uncharged case. In these simulations, the average charge saturated at a value much lower than the value anticipated based on the work function difference, and a unimodal distribution of charges was observed. For larger work function differences, particles stuck to walls and bed height oscillations due to slugging were less pronounced. For these cases, a bimodal distribution of charges emerged due to effects from strong electric fields. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1872–1891, 2017     

Investigation of the effect of magnetic field on mass transfer parameters of CO2 absorption using Fe3O4‐water nanofluid

In this study, the enhancement of physical absorption of carbon dioxide by Fe₃O₄‐water nanofluid under the influence of AC and DC magnetic fields was investigated. Furthermore, a gas‐liquid mass transfer model for single bubble systems was applied to predict mass transfer parameters. The coated Fe₃O₄ nanoparticles were prepared using co‐percipitation method. The results from characterization indicated that the nanoparticles surfaces were covered with hydroxyl groups and nanoparticles diameter were 10–13 nm. The findings showed that the mass transfer rate and solubility of carbon dioxide in magnetic nanofluid increased with an increase in the magnetic field strength. Results indicated that the enhancement of carbon dioxide solubility and average molar flux gas into liquid phase, particularly in the case of AC magnetic field. Moreover, results demonstrated that mass diffusivity of CO₂ in nanofluid and renewal surface factor increased when the intensity of the field increased and consequently diffusion layer thickness decreased. © 2016 American Institute of Chemical Engineers AIChE J, 63: 2176–2186, 2017     

A mathematical model for optimal compression costs in the hydrogen networks for the petroleum refineries

Hydrogen network design is an important step in hydrogen management of a petroleum refinery that manages the hydrogen distribution and consumption in a cost‐effective manner. While most works in this area have primarily focused on minimization of fresh hydrogen requirement and hydrogen purification aspects, very few works have dealt the issue of compression costs in hydrogen network designs. This work proposes a new mathematical model for synthesizing a hydrogen network with minimum compression costs. In contrast to the existing literature, this model uses stream‐dependent properties and realistic compressor cost correlations to determine the compression duty and costs, respectively. Tests on literature examples show that our model is flexible and gives reasonably favorable solutions than the previous models. Furthermore, the usefulness of understanding the trade‐offs between the number of compressors and compression duty and the importance of using stream‐dependent conditions in estimating compression costs are also highlighted in this work. © 2017 American Institute of Chemical Engineers AIChE J, 63: 3925–3943, 2017     

Morphologically dependent alternating‐current and direct‐current breakdown strength in silica–polypropylene nanocomposites

In this article, we report the synthesis of a new bimodal surface ligand morphology on silica nanoparticles. Combining grafting‐to and grafting‐from approaches, in this study, we demonstrated the efficacy of anthracene surface modification for improving the dielectric breakdown strength (DBS) under alternating‐current and direct‐current conditions and that of a matrix‐compatible polymer brush for controlling the nanofiller (NF) dispersion. Ligand‐modified spherical colloidal SiO₂ nanoparticles (～14 nm in diameter) were mixed into polypropylene, and the resulting dispersion was improved over the unmodified particles, as shown with transmission electron microscopy. The results suggest that the electronic structure of the anthracene‐modified particle surface was critical to the improvement in DBS. In addition, the DBS of the composite was shown to depend on the dispersion state of the filler and the mode of stress; this indicated that the individually dispersed nanoparticles were not necessarily the optimal morphology for all stress conditions. Additionally, the precise nature of the matrix‐compatible brush was less important than the NF dispersion it produced. The bimodal grafted architectural design has provided a promising solution for the control of the dispersion and surface properties, especially for high‐molecular‐weight polymer matrices. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 44347.