Computer code to predict the heat of explosion of high energy materials

The computational approach to the thermochemical changes involved in the process of explosion of a high energy materials (HEMs) vis-à-vis its molecular structure aids a HEMs chemist/engineers to predict the important thermodynamic parameters such as heat of explosion of the HEMs. Such a computer-aided design will be useful in predicting the performance of a given HEM as well as in conceiving futuristic high energy molecules that have significant potential in the field of explosives and propellants. The software code viz., LOTUSES developed by authors predicts various characteristics of HEMs such as explosion products including balanced explosion reactions, density of HEMs, velocity of detonation, CJ pressure, etc. The new computational approach described in this paper allows the prediction of heat of explosion (DeltaH(e)) without any experimental data for different HEMs, which are comparable with experimental results reported in literature. The new algorithm which does not require any complex input parameter is incorporated in LOTUSES (version 1.5) and the results are presented in this paper. The linear regression analysis of all data point yields the correlation coefficient R(2)=0.9721 with a linear equation y=0.9262x+101.45. The correlation coefficient value 0.9721 reveals that the computed values are in good agreement with experimental values and useful for rapid hazard assessment of energetic materials.     

Structural,electrical and magnetic studies on Y-Fe-O system

The compounds of iron substituted yttrium oxide systems have been prepared for the importance in the field of magneto electric materials.The polycrystalline samples of Y2-xFexO3-y(x=0.1,0.2) were prepared by solid-state reaction method.The single-phase formation of these compounds was confirmed by X-ray diffraction studies.It was found that the samples crystallized in tetragonal phase and the lattice parameters were calculated as a=1.0559(7) nm,c=1.0832(9) nm for Y1.9Fe0.1O3-y and a=1.0545(6) nm,c=1.0841(8)...     

An experimental investigation on DI diesel engine with hydrogen fuel

The internal combustion engines have already become an indispensable and integral part of our present day life style, particularly in the transportation and agricultural sectors [Nagalingam B. Properties of hydrogen. In: Proceedings of the summer school of hydrogen energy, IIT Madras, 1984]. Unfortunately the survival of these engines has, of late, been threatened due to the problems of fuel crisis and environmental pollution. Therefore, to sustain the present growth rate of civilization, a nondepletable, clean fuel must be expeditiously sought. Hydrogen exactly caters to the specified needs. Hydrogen, even though “renewable” and “clean burning”, does give rise to some undesirable combustion problems in an engine operation, such as backfire, pre-ignition, knocking and rapid rate of pressure rise [Srinivasa Rao P. Utilization of hydrogen in a dual fueled engine. In: Proceedings of the summer school of hydrogen energy, IIT Madras, 1984; Siebers DL. Hydrogen combustion under diesel engine conditions. Hydrogen Energy 1998;23:363–71]. The present investigation compares the performance and emission characteristics of a DI diesel engine with gaseous hydrogen as a fuel inducted by means of carburation technique and timed port injection technique (TPI) along with diesel as a source of ignition [Swain N, Design and testing of dedicated hydrogen-fueled engine. SAE 961077, 1996]. In the present study the specific energy consumption, NO_x emission and the exhaust gas temperature increased by 6%, 8% and 14%, respectively, and brake thermal efficiency and smoke level reduced by 5% and 8%, respectively, using carburation technique compared to baseline diesel. But in the TPI technique, the specific energy consumption, exhaust gas temperature and smoke level reduced by 15%, 45% and 18%, respectively. The brake thermal efficiency and NO_x increased by 17% and 34%, respectively, compared to baseline diesel. The emissions such as HC, CO, and CO₂ is very low in both carburation and TPI techniques compared baseline diesel.     

Combined effect of injection timing,EGR and injection pressure in reducing the NOx emission of a biodiesel blend

In this study, an attempt was made to reduce the higher oxides of nitrogen (NO_x) emission of a crude rice bran oil methyl ester (CRBME) blend through modification of combustion process by retarding fuel injection timing and exhaust gas recirculation at an increased fuel injection pressure. At modified condition, delay period and peak pressure of CRBME blend were lower than those at normal condition. The occurrence of maximum heat release rate retarded with a higher magnitude when compared with normal condition. Experimental results show that as a result of combustion modification, NO_x and carbon monoxide emissions were reduced significantly with marginal increase in smoke density. Brake thermal efficiency and unburnt hydrocarbon emissions of the engine were increased significantly as a result of this modification process. This investigation shows that the NO_x emission of a biodiesel blend can be reduced with less sacrifice on smoke density and increase in the brake thermal efficiency by modifying the combustion process.     

Enzymatic transesterification for production of biodiesel using yeast lipases: An overview

Biodiesel has provided an eco-friendly solution to fuel crisis, as it is renewable, biodegradable and a non-toxic fuel that can be easily produced through enzymatic transesterification of vegetable oils and animal fats. Enzymatic production of biodiesel has many advantages over the conventional methods as high yields can be obtained at low reaction temperatures with easy recovery of glycerol. Microbial lipases are powerful biocatalysts for industrial applications including biodiesel production at lower costs due to its potential in hydrolyzing waste industrial materials. Among them, lipases from yeasts, Candida antarctica, Candida rugosa, Cryptococcus sp., Trichosporon asahii and Yarrowia lipolytica are known to catalyze such reactions. Moreover, stepwise addition of methanol in a three step, two step and single step reactions have been developed using yeast lipases to minimize the inhibitory effects of methanol. The latest trend in biodiesel production is the use of whole-cell as biocatalysts, since the process requires no downstream processing of the enzyme. Synthesis of value added products from the byproduct glycerol further reduces the production cost of biodiesel. This review aims at compiling the information on various yeast lipase catalyzed transesterification reactions for greener production of biodiesel.     

Natural convection in an enclosure with a localized nonuniform heat source on the bottom wall

Natural convection in an air filled enclosure with a localized nonuniform heat source mounted centrally on the bottom wall is numerically investigated. The vertical walls are cooled while the top wall and the remaining portions of the bottom wall are insulated. The heat source is assumed to be isothermal with a linearly varying temperature. The governing equations were solved using finite volume method on a uniformly staggered grid system. The computational results are presented in the form of isotherm and streamline plots and Nusselt numbers. The effects of the source nonuniformity parameter, λ and the line source length, ε are investigated for the Grashof numbers Gr = 10⁶ and 10⁷. It is found that for Gr = 10⁶ nonuniform heating of the line source enhances the overall heat transfer rate markedly compared to uniform heating of the heat source whereas for Gr = 10⁷ its effect is marginal.     

Assessing the impact of palmitic,myristic and lauric acids on hydrogen production from glucose fermentation by mixed anaerobic granular cultures

The effects of lauric (LUA), myristic (MA), palmitic (PA), and a mixture of myristic:palmitic (MA:PA) acids on hydrogen (H₂) production from glucose degradation using anaerobic mixed cultures were assessed at 37 °C with an initial pH set at 5.0 and 7.131 mM of each acid. The maximum H₂ yield (2.53 ± 0.18 mol mol⁻¹ glucose) was observed in cultures treated with PA. A principal component analysis (PCA) of the by-products and the microbial population data sets detected similarities between the controls and PA treated cultures; however, differences were observed between the controls and PA treated cultures in comparison to the MA and LUA treated cultures. The flux balance analysis (FBA) showed that PA decreased the quantity of H₂ consumed via homoacetogenesis compared to the other LCFAs. The control culture was dominated by Thermoanaerovibrio acidaminovorans (60%), Geobacillus sp. and Eubacterium sp. (28%), while Clostridium sp. was less than 1%. Treatment with PA, MA, MA:PA, or LUA increased the H₂ producers (Clostridium sp. and Bacillus sp.) population by approximately 48, 67, 86, and 86%, respectively.     

Technical review: Improvement of mechanical properties and suitability towards armor applications – Alumina composites

Ceramic Matrix Composites (CMCs) have many interesting properties, mainly light weight, cost efficiency, low density, high compressive strength, high hardness and durability. Hence, they emerged as a boon to the development of personnel armors in the past. The current work aims to review various new methodologies adapted for the reinforcement of Alumina (Al₂O₃) CMCs in recent times, including some of the interesting results obtained with respect to mechanical properties, suitability of the synthesized composites for armor applications, and the upcoming reinforcement trends. Finally, studies related to reinforcement in Al₂O₃ CMCs, specifically towards armor applications have been consolidated to arrive at some of the important inferences for concluding reasonably.     

Charge distribution around Ba-O and Ti-O bonds in BaTi1-xZrxO3 through powder X-ray diffraction

Ferroelectric lead-free BaTi1-xZrxO3 ceramic powder samples with various compositions (x =0,0.04,0.06) have been synthesized by conventional high-tem-perature s...