Structural,Mechanical and Dielectric Properties of Microwave-Assisted High-Energy Ball Milling Synthesis of Hydroxyapatite

Abstract

In the present work, the effect of high-energy ball milling (HEBM) of starting precursors of hydroxyapatite (Ca₁₀(PO₄)₆(OH)₂)/HA system on the processing temperature, morphological, mechanical, and electrical properties are highlighted. Calcination and sintering of HA system were carried out in microwave furnace. XRD study confirmed the evolution of HA phase and EDX analysis confirmed Ca/P ratio ～1.65. Grain size of HA samples, synthesized by using microwave-assisted HEBM technique was found to be in the order of 54–75?nm. Enhanced dielectric and mechanical properties were obtained in HA samples.     

Wave scattering through an orthotropic thermoelastic slab sandwiched between two isotropic elastic half-spaces

Abstract

Present study deals with the scattering of a plane wave through an orthotropic thermoelastic slab sandwiched between two elastic half-spaces. Unlike the classical theory of thermoelasticity, we have employed non-classical thermoelastic theories (LS-theory and GL-theory) to analyze the scattering of plane waves. The amplitude ratios for different waves have been computed numerically for the considered generalized theories of thermoelasticity. The effect of the slab thickness on the amplitude ratios has been shown graphically. Moreover, the amplitude ratios of different waves (i.e., reflected, transmitted, forward and backward waves) are compared for different values of slab thickness under both the LS-theory and GL-theory.     

Investigation and mapping of toxic fumes produced by detonation of ANFO explosives in underground space

Post-blast fumes are hazardous and known to cause severe health related issues of workers. Further, these harmful gases have a significant impact on the surrounding environment. Thus, it is imperative to have an in-depth understanding of the real time detonation fume generation in underground space to avoid hazardous health risk of the worker. In this context, the mapping of toxic fume concentrations generated by the detonation of ANFO explosives in the actual field is a fascinating area of research that has a great environmental impact. This article examined the real-time analysis of toxic fumes generated by ammonium nitrate fuel oil (ANFO) explosives at various locations of a metalliferous underground mine. Furthermore, detonation parameters of various ANFO explosive compositions were also studied at the mining site. On-site blasting studies were performed with ANFO explosives, and post-detonation fume measurements enabled us to map the CO and NO_x concentrations in underground spaces. Toxic fumes like CO and NO_x were analyzed before and after each blasting operation at different intervals, and found within the allowed limit as per the Directorate General of Mines Safety guidelines. Additionally, an empirical correlation has been established to evaluate the maximum detonation velocity based on the alteration of ammonium nitrate and fuel oil composition.     

Computational Fluid Dynamics Modeling for Urea Hydrolysis in a Batch Reactor for Flue Gas Conditioning

A computational fluid dynamics (CFD) model is proposed to simulate urea hydrolysis for ammonia synthesis as a safe feed stock to flue gas conditioning in thermal power plants. A series of parametric studies to investigate flow rates, thermal boundary conditions, and reactor geometry was performed and operating conditions and reactor geometry were optimized. Detailed 3D flow, heat, and chemistry simulations of ammonia were carried out with predicted conversions comparable to measurements and the dependence of the experiments on the reaction parameters was evaluated. Through simulation under the same conditions the output was generated and compared to the experimental plot. Profiles of temperature and flow patterns were successfully achieved through simulation.     

Supramolecular Capsules Derived from Resorcin[4]arenes by H-Bonding and Metal Coordination: Synthesis,Characterization, and Single-Molecule Force Spectroscopy

Self-assembly by H-bonding and by metal-coordination of functionalized calix[4]arenes and cavitands to large supramolecular capsules is described. In addition, a new method of analyzing supramolecular recognition processes at the single molecule level is discussed. By measuring interaction forces in a hydrogen-bonded assembly using single-molecule force spectroscopy (SMFS), the dynamics of the self-assembly process can be evaluated. In the future, consequent application of this new technique will influence supramolecular design principles and the use of non-covalent interactions as construction elements in the field of nanotechnology.     

In situ synthesis of ammonia by catalytic hydrolysis of urea in the presence of aluminium oxide for safe use of ammonia in power plants for flue gas conditioning

BACKGROUND: Ammonia is applied to increase the efficiency of an electrostatic precipitator for fly ash removal from a flue gas stream from a boiler using fossil fuel. In the present work, the hydrolysis of urea to generate ammonia for flue gas conditioning, with the help of aluminium oxide catalyst, has been studied. RESULTS: The effect of temperature, catalyst and initial concentration on the conversion was studied. Conversion was found to increase exponentially with temperature. Addition of catalyst resulted in an increase in conversion. Experiments were conducted with different doses of catalyst, and the optimum dosage of catalyst for a particular feed concentration was determined. A decrease in conversion was observed when the initial concentration of ammonia was increased. CONCLUSION: A study of reaction kinetics showed the effect of reaction time on conversion of urea to ammonia. The catalytic hydrolysis of urea, using aluminium oxide behaved as a first‐order reaction; the rate constant at different temperatures was found, and the activation energy determined. Copyright © 2011 Society of Chemical Industry     

Probing Aromaticity of Borozene Through Optical and Dielectric Response: A Theoretical Study

In this work, we report electronic structure calculations aimed at computing the linear optical absorption spectrum and static dipole polarizablity of a newly proposed boron-based planar aromatic compound borozene (B ₁₂ H ₆). For the purpose, we use the semiempirical INDO model Hamiltonian, accompanied by large-scale correlation calculations using the multi-reference singles-doubles configuration-interaction (MRSDCI) approach. We present detailed predictions about the energetics, polarization properties, and the nature of many-particle states contributing to various peaks in the linear absorption spectrum. Our results can be used to characterize this material in future optical absorption experiments. We also argue that one can deduce the aromaticity of the cluster from the optical absorption and static polarizability results.