Hydrogen storage in TiO2 functionalized (10, 10) single walled carbon nanotube (SWCNT) – First principles study

Hydrogen storage in titanium dioxide (TiO₂) functionalized (10, 10) armchair single walled carbon nanotube (SWCNT) is investigated through first principle calculations using density functional theory (DFT). This first principles study uses Vienna Ab-initio Simulation Package (VASP) with ultrasoft pseudopotentials and local density approximation (LDA). The necessary benchmark and other systematic calculations were carried out to project the hydrogen storage capability of the designed system. Interestingly, the TiO₂ molecules functionalized on the outer surface of SWCNT do not undergo any dimerization/clustering thus giving excellent stability and usable gravimetric hydrogen storage capacity of 5.7 wt.% and the value nearly fulfills the US DOE target (i.e. 6 wt.%). The band structure and density of states (DOS) plots suggest that the functionalization can lead a way to transform the nature (metallic → semiconducting) of the pristine SWCNT. The nominal values of H₂ storage capacity and binding energies give much hope for using CNT functionalized with TiO₂ as a practical and reversible hydrogen storage medium (HSM).     

TiO2 nanoparticle embedded nitrogen doped electrospun helical carbon nanofiber-carbon nanotube hybrid anode for lithium-ion batteries

TiO₂ nanoparticles decorated nitrogen (N) doped helical carbon nanofiber (CNF)-carbon nanotube (CNT) hybrid material is prepared by low-cost electrospinning technique followed by hydrothermal method. Morphological investigations establish helical structure of CNFs with hierarchical growth of CNTs around CNFs. The hybrid material shows a high specific surface area of 295.17 m² g^?1 with nanoporous structure. X-ray photoelectron spectroscopic studies establish Ti–O–C/Ti–C bond mediated charge transfer channel between TiO₂ nanoparticles and carbon structures with the success of N doping in CNFs. The electrospun hybrid material delivered high reversible charge capacities of 316 mAh g^?1 (100th cycle) and 244 mAh g^?1 (100th cycle) at a current density of 75 mA g^?1 and 186 mA g^?1 respectively. The charge capacities obtained for different applied current densities are higher than the conventional graphitic microporous microbeads anode. Results indicate that the hybrid material reported here shows high performance compare to graphite for LIBs.     

Feature selection with a deep learning based high-performance computing model for traffic flow analysis of Twitter data

The Journal of Supercomputing - In the past decade, social media networks have received much attention among ordinary people, agencies, and research scholars. Twitter is one of the fastest-growing...     

Mathematical Description of Experimentally Determined Charge Distributions of a Unipolar Diffusion Charger

The charge distributions of an improved opposed flow unipolar diffusion charger were measured using a tandem differential mobility analyzer (DMA) set up in a size range of approximately 20–400 nm. The charger is intended to be used in a portable aerosol sizer to measure particle size distributions. The determined charge distributions were represented by lognormal distributions, and a set of equations and coefficients was developed to calculate the charge distributions. These equations can be easily implemented in software for size distribution measurements. The agreement between the mathematically derived and measured charge distributions is very good, with regression coefficients R ² > 0.96. The investigations showed that approximately 55% of 20-nm particles remain uncharged, while up to 25 elementary charges need to be considered for multiple charge correction of 400-nm particles. Comparison with the Fuchs theory delivered satisfying agreement with the measured average charge levels, but charge distributions cannot be described by the Fuchs theory, likely caused by the charger geometry.

Copyright 2012 American Association for Aerosol Research     

EXCESS GIBBS ENERGY FOR THE BINARY MIXTURES OF NITROBENZENE WITH SOME HYDROCARBONS AT 94.95 KPA

Bubble point temperatures at 94.95 kPa, over the entire composition range, are measured for the binary mixtures of nitrobenzene with: cyclohexane, n-hexane, n-heptane, n-decane, and o-, m-, and p-xylenes, using a Swietoslawski-type ebulliometer. Liquid phase composition versus bubble point temperature measurements are well represented by the Wilson model. Computed values of the excess Gibbs energy are presented and discussed.     

Hybridization of genetic algorithm with immune system for optimization problems in structural engineering

Optimization is the task of getting the best solution among the feasible solutions. There are many methods available to obtain an optimized solution. Genetic algorithm (GA), which is a heuristic type of optimization method, is discussed in this paper. The focus of the paper is the use of GA for large dimensionality design problems, where computational efficiency is a major concern. The motivation of this paper is to hybridize GA with an immune system mechanism by avoiding the implementation of penalty constants, which are highly sensitive to the choice of algorithm parameters. The principal advantage of the immune system is in its seamless integration with GA-based search for optimal design. It is being hybridized with the immune system mechanism. The hybrid GA and immune system is applied for the design of the optimal mix of high-performance concrete (HPC), which is still based on trial mix and for which no rigorous mathematical approach is available. As such, to infer the values of strength and slump, a wavelet back propagation neural network or wavelet neural network is used for any HPC mix. It is necessary to minimize the cost of HPC/unit weight of HPC subjected to strength and slump constraints. The interwoven algorithm is also applied to obtain optimal sectional areas for minimum weight of space trusses subjected to static loading. Formian programming language is used for the generation of the space trusses, and Feast package is used for the static analysis of the trusses. In addition to the induction of immune system in the GA for constraint handling, it is being applied in this particular application for improving the search of GA in obtaining the best optimal solution. For obtaining the optimal sections of space trusses subjected to earthquake loading, SAP 90 package is used, and reliable results are obtained.     

Additional Feedstock for Fluid Catalytic Cracking Unit

Fuel refineries are configured with Fluid Catalytic Cracking Unit (FCCU) to convert Vacuum Gas Oils (VGO) into higher value gasoline and middle distillates. But such refineries also generate 8-12% of heavy oils known either as decant oil or clarified oil (CLO), which has to be downgraded as furnace oil. The recycling of the decant oil into FCCU along with VGO feed is restricted to maintain the coke formation within design limits so that there is no decrease either in conversion or yield of liquid products from FCC operations. The condensed aromatic ring compounds present in CLO makes it undesirable feedstock for cracking, as it promotes heavy coke formation on the catalyst. Hence, CLO is disposed by absorbing in the residual fuel oils.

Of late, FCC units are being operated with higher severity to maximize gasoline, and this has resulted in much higher concentration of condensed aromatics in CLO. Hence, better utilization of CLO depends on separating its saturated hydrocarbon components as a good feedstock for recycling into FCCU with the simultaneous production of extract with enriched poly condensed aromatics as a value added product, namely Carbon Black Feed Stock (CBFS). This article describes several extraction studies carried out on CLO to obtain raffinate for which cracking studies were carried out in automated Micro Activity Test (MAT) unit. The quality of extract phase from each of the above studies was evaluated for its suitability as feedstock for carbon black.     

Parametric study of aluminium alloy fouling in marine environment using RSM technique

ABSTRACT

Fouling is known to be a prominent industrial problem which is greatly affected by parameters like temperature, time and flowrate. The aim of this work was to simulate the fouling process in AA 6061 by developing a model through Minitab 16 and evaluate the models. Box Behnken design of Response surface methodology was applied for modelling and optimization of fouling propensity in artificial sea water. A response surface model was obtained and Analysis of Variance was performed to test the significance of the model. Fouling propensity was found in terms of weight gain. An experimental rig consisting of a recirculating loop mimicking the industrial conditions of fouling was used in the study. SEM analysis shows uneven deposits on the metal surface. Sharp, irregular deposits pressed deep into the metal was observed. The finding of this work would enable us to evaluate the individual and interactive effects of the parameters.     

“String and bead” model of copper modified polycarbosilane: synthesis and applications

Journal of Materials Science - The synthesis of metal modified polycarbosilanes is currently an area of significant activity. These polymers can be processed to advanced materials such as ceramic...     

Design of Novel Dual Input DC–DC Converter for Energy Harvesting System in IoT Sensor Nodes

A new DC–DC converter capable of working with more than one source for harvesting energy from clean energy sources is proposed. Key features of this proposed converter are single inductor and reduced total number of components. In addition the converter has reduced stresses and power losses. Dual input and output modes, with its operation and steady-state analysis are discussed. Comparative study of the topologies given in literature with a proposed topology for parameters considered like the number of components and voltage gain is presented. Compatibility of the proposed converter is proved with reduced losses using loss distribution analysis of the converter and it is more reliable for energy system in telecom applications, which is validated using reliability analysis, is also highlighted. Finally, to substantiate the working of the non isolated DC–DC converter considered the test results are presented.