The fast reaction asymptote of the coalescence-redispersion model

The coalescence-redispersion (CRD) model is examined in the fast chemistry limit for the single bimolecular reaction A+B M R and the series parallel reactions A+B M R;B+R M S occurring in a plug flow reactor with unmixed feed streams. For the single bimolecular reaction it is shown that in this limit the CRD model is asymptotically equivalent to the 3E fast closure as t M 0. For the series parallel reactions the CRD model predictions tend to be bracketed by the 3E slow and fast closure formulations. Representative results are presented for the variance decay of the individual reactants, and it is seen that even in the fast reaction limit where mixing is controlling, the shape of the feed stream PDFs has negligible influence on the progress of the reaction.     

Phase Constitution During Sintering of Red Mud and Red Mud–Fly Ash Mixtures

The phase constitution during the sintering of pure red mud and red mud–fly ash mixtures was studied in the temperature range of 900°–1250°C. The phases formed at different sintering temperatures were analyzed by X-ray powder diffraction. The phases that are likely to form at equilibrium at any isotherm were predicted using the Gibbs free energy minimization technique and the databases provided in the FactSage software. Although the thermodynamic prediction is in reasonable agreement with the experimental results for the major phases, there is some disagreement regarding the minor phases, especially the more complex phases. The major limitation of the thermodynamic approach presently is the non-availability of thermodynamic data for several complex and multi-component solution phases.     

Effect of water depth on internal heat and mass transfer for active solar distillation

In this communication, an attempt has been made to find out the convective heat transfer coefficient for active solar distillation system. It is a well-known fact that the distillate output (the yield) decreases significantly with the increase of water depth in the basin of the solar still. It is also known that more yield is obtained in case of active solar distillation system as compared to passive solar still due to higher temperature difference between the water and inner glass cover temperatures in the active mode. For the present study, experiments have been conducted for 24 hours during winter months for different water depths in the basin (0.05, 0.1 and 0.15 m) for passive as well as active solar distillation system. The objective of the present paper is to study the effect of different water depths in the basin on the heat and mass transfer coefficients. It is inferred that the convective heat transfer coefficient between water and inner condensing cover depends significantly on the water depth in the basin. It is also observed that more yield is obtained during the off shine hours as compared to daytime for higher water depths in solar still (0.10 m and 0.15 m) due to storage effect.     

PLA/functionalized‐gum arabic based bionanocomposite films for high gas barrier applications

The present work focuses on the microwave synthesis of lactic acid‐grafted‐gum arabic (LA‐g‐GA) by polycondensation reaction and its influence as an additive to improve the gas barrier properties of poly(lactic acid) (PLA) films, prepared by solution casting method. It is observed that during the synthesis of LA‐g‐GA, hydrophilic gum is converted into hydrophobic due to grafting of in situ grown hydrophobic oligo‐(lactic acid). Subsequently, PLA/LA‐g‐GA bionanocomposite films are fabricated and characterized for structural, thermal, mechanical and gas barrier properties. Path breaking reduction in oxygen permeability (OP) of ～10 folds is achieved in case of PLA films containing LA‐g‐GA as filler. However, water vapor transmission rate (WVTR) is reduced up to 27% after 5 wt % addition of filler. Reduction in OP of this order of magnitude enables the PLA to compete with PET in term of enhancing shelf life and maintaining the food quality. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 43458.     

Exploration of a Library of 3,4‐(Methylenedioxy)aniline‐Derived Semicarbazones as Dual Inhibitors of Monoamine Oxidase and Acetylcholinesterase: Design,Synthesis, and Evaluation

A library of 3,4‐(methylenedioxy)aniline‐derived semicarbazones was designed, synthesized, and evaluated as monoamine oxidase (MAO) and acetylcholinesterase (AChE) inhibitors for the treatment of neurodegenerative diseases. Most of the new compounds selectively inhibited MAO‐B and AChE, with IC₅₀ values in the micro‐ or nanomolar ranges. Compound 16 , 1‐(2,6‐dichlorobenzylidene)‐4‐(benzo[1,3]dioxol‐5‐yl)semicarbazide presented a balanced multifunctional profile of MAO‐A (IC₅₀=4.52±0.032 μm ), MAO‐B (IC₅₀=0.059±0.002 μm ), and AChE (IC₅₀=0.0087±0.0002 μm ) inhibition without neurotoxicity. Kinetic studies revealed that compound 16 exhibits competitive and reversible inhibition against MAO‐A and MAO‐B, and mixed‐type inhibition against AChE. Molecular docking studies further revealed insight into the possible interactions within the enzyme–inhibitor complexes. The most active compounds were found to interact with the enzymes through hydrogen bonding and hydrophobic interactions. Additionally, in silico molecular properties and ADME properties of the synthesized compounds were calculated to explore their drug‐like characteristics.     

Visible Light Photocatalysis on Magnetically Recyclable Fe3O4/Cu2O Nanostructures

Catalysis Letters - Magnetically recyclable visible light photocatalysts for the degradation of critical organic pollutants are an urgent industrial requirement. Nonetheless, one component...     

A facile spin-cast route for cation exchange of multilayer perpendicularly-aligned nanorod assemblies

A facile spin cast route was developed to convert perpendicularly aligned nanorod assemblies of cadmium chalcogenides into their silver and copper analogues. The assemblies are rapidly cation exchanged without affecting either the individual rod dimensions or collective superlattice order extending over several multilayers.     

Copolymerization of styrene with an α‐olefin via atom transfer radical polymerization

This investigation reports the preparation of styrene–α‐olefinic random copolymers, using 1‐octene as an α‐olefin, via atom transfer radical polymerization. Atom transfer radical copolymerization of styrene with 1‐octene was successfully carried out using phenylethyl bromide as initiator and CuBr as catalyst in combination with N, N, N′, N″, N″‐pentamethyldiethylenetriamine as ligand. The copolymers had controlled molecular weight, narrow dispersity and well‐defined end groups with significant 1‐octene incorporation in the polymer. Incorporation of 1‐octene in the copolymers was confirmed using ¹H NMR and matrix‐assisted laser desorption ionization time‐of‐flight mass spectroscopy. An increase in 1‐octene content in the monomer feed led to an increase in the level of incorporation of the α‐olefin in the copolymer. An increase in the concentration of 1‐octene led to a decrease in the rate of polymerization and an increase in dispersity. The glass transition temperature of the copolymer gradually decreased as the incorporation of 1‐octene increased. Copyright © 2011 Society of Chemical Industry     

Optimization of reactive SMB and Varicol systems

A comprehensive optimization study on a simulated moving bed reactor (SMBR) system is reported in this article for the direct synthesis of methyl tertiary butyl ether (MTBE) from tertiary butyl alcohol (TBA) and methanol. The applicability of the Varicol process, which is based on non-synchronous shift of the inlet and outlet ports, is explored for the first time for a reactive system. Multi-objective (two and three objective functions) optimization has been performed for both existing as well as design stage for SMBR and Varicol systems and their efficiencies are compared. The optimization problem involves relatively large number of decision variables; both continuous variables, such as flow rates in various sections and length of the columns and discrete variables, such as number of columns and column configuration. Pareto optimal solutions are obtained. It is observed that a five-column Varicol performs better than an equivalent five-column SMBR and its performance is nearly equal to that of a six-column SMBR in terms of purity and yield of MTBE and minimal eluent consumption. This is an important inference as it enables the reduction of fixed and operating costs while at the same time helps to achieve high purity and yield of the desired product and conversion of the limiting reactant. A state-of-the-art optimization technique, viz., non-dominated sorting genetic algorithm (NSGA), which allows handling of these complex optimization problems, is employed for this study. This is the first time that, not only the separating potential of Varicol has been extended to reaction systems, but also was optimized for multiple objectives.