Synthesis,Structural, and Magnetic Properties of Nanocrystalline Ti 0.95Co0.05O2-Diluted Magnetic Semiconductors

With a view to investigate the influence of nanometric size on the structural, surface, and magnetic properties of nanocrystalline Ti_0.95Co_0.05O₂-diluted magnetic semiconductors, prepared by a novel simple controllable peroxide-assisted reflux chemical route followed by annealing at different temperatures, a systematic investigation has been undertaken. Structural characterizations such as X-ray diffraction followed by Rietveld refinement, electron diffraction pattern, Fourier transform infrared, Raman scattering, and X-ray photoelectron spectroscopy (XPS) measurements have shown anatase phase formation in nanocrystalline Ti_0.95Co_0.05O₂ without any additional impurity phases. The modified reflux chemical route was effective in obtaining pure phase Ti_0.95Co_0.05O₂ nanoparticles. Surface morphological investigations by using transmission electron microscopy and atomic force microscopy measurements showed the predominant effect of random distribution of nanoparticles on the aggregation behavior and local microstructural changes. The deconvoluted XPS core level Co 2p spectral study manifested the oxidation state of Co as + 2 and is found to be stable with varying particle size and annealing temperature. The ferromagnetic behavior was investigated by vibrating sample magnetometer, magnetic force microscopy, and electron spin resonance measurements. These magnetization studies showed all the samples are ferromagnetic at room temperature without any magnetic clusters. The correlation between structure, surface condition of the nanoparticles and local electronic interactions, and magnetization of the samples was analyzed and explored the origin of ferromagnetism.     

Factors influencing the crushing strength of some Aegean sands

Engineering properties of sands mainly depend on the integrity of the particles, which in turn has a strong bearing on their crushing strength. Seven different Aegean sands were tested for mineralogy, particle shape, size and specific gravity and the influence of aspect ratio, particle composition, particle shape and size on the crushing strength was examined. As the Aegean sands have a small range of sphericity and roundness, crushing strength tests were also performed on five Anatolian sands. A multiple regression analysis was carried out and an equation proposed to determine the crushing strength value of the Aegean sands. The computed values were found to be in good agreement with those obtained from the experimental investigations. It is concluded that the equation is sufficiently accurate to be a useful, time- and cost-effective way of obtaining crushing strength estimations at the preliminary stage of site investigations.     

Effects of entrainment and agglomeration of particles on combustion of nano-aluminum and water mixtures

The combustion of nano-aluminum and water mixtures is studied theoretically for a particle size of 80 nm and over a pressure range of 1–10 MPa. Emphasis is placed on the effects of entrainment and agglomeration of particles on the burning rate and its dependence on pressure. The flame thickness increases by a factor of ∼10, when particle entrainment is considered. This lowers the conductive heat flux at the ignition front, thereby reducing the burning rate. The pressure dependence of the burning rate is attributed to the changes in the burning time and velocity of particles with pressure. In the diffusion limit, the pressure exponent increases from 0 to 0.5, when the entrainment index increases from 0 to 1.0. A similar trend is observed in the kinetics-controlled regime, although the corresponding value exceeds the diffusion counterpart by 0.5. The kinetics-controlled model significantly over-predicts the burning rate and its pressure exponent, depending on the entrainment index. The present analysis suggests that nano-particles formed closely-packed agglomerates of diameter 3–5 μm, which may burn under diffusion-controlled conditions at high pressures.     

Lubricating and physico-chemical properties of CI- 4 plus engine oil dispersed with surface modified multi-walled carbon nanotubes

This paper studies the effect of surface modification of multiwall carbon nanotubes (MWCNTs) prior to dispersion in engine oil to improve the tribological properties. The MWCNTs are stabilised in the lubricant with two different surfactants cetrimonium bromide (CTAB) and sorbitan monooleate (SPAN 80) and the effect of surfactants on the tribological properties has been studied. Pristine and surface modified MWCNTs in weight per cent range of 0·5% are dispersed in CI4 plus diesel engine oil. The foaming tendency and other physico-chemical properties of test lubricant have been studied to investigate the effect of nano materials and surfactants. The anti-wear and anti-friction properties are tested on a four ball wear tester and the comparison is made to assess the relative performance of pristine MWCNTs over surface modified MWCNTs. A strong influence of the surface modification technique is found on lubricating and physico-chemical properties. Both CTAB and SPAN 80 could keep the MWCNTs stable in the lubricant without compromising the foaming tendency of lubricant and other physico-chemical properties. The friction and wear characteristics of lubricants have improved with the dispersion of surface modified MWCNTs while there is no improvement in the properties of lubricant dispersed with pristine MWCNTs.     

Effect of packing density on flame propagation of nickel-coated aluminum particles

The combustion-wave propagation of nickel-coated aluminum particles is studied theoretically for packing densities in the range of 10–100% of the theoretical maximum density. Emphasis is placed on the effect of packing density on the burning properties. The energy conservation equation is solved numerically and the burning rate is determined by tracking the position of the flame front. Atomic diffusion coefficients and reaction rate of isolated nickel-coated aluminum particles are input parameters to the model. The burning behaviors and combustion wave structures are dictated by the heat transfer from the flame zone to the unburned region. Five different models for the effective thermal conductivity of the mixture are employed. The impact of radiation heat transfer is also assessed. As a specific example, the case with a particle size of 79 μm is considered in detail. The burning rate remains nearly constant (<1 cm/s) up to a packing density of 60%, and then increases sharply toward the maximum value of 11.55 cm/s at a density of 100%. The Maxwell–Eucken–Bruggeman model of thermal conductivity offers the most accurate predictions of the burning rate for all loading densities.     

The aggregation behavior and structure of blends of κ-carrageenan and ε-polylysine hydrochloride

Polypeptides play a key role in improving food quality, and understanding their interactions with polysaccharides would be beneficial to developing new foods. Herein, κ-carrageenan (KC) and ε-polylysine hydrochloride (PLH) were chosen as the model polysaccharide and polypeptide, respectively, to study polysaccharide/polypeptide complexes. The KC/PLH solutions were characterized for turbidity as a function of mass ratio, pH, salts and stirred conditions at 0.5 and 1 mg mL^–1 concentrations. The solutions at a KC/PLH mass ratio of 7:3 have the highest turbidity, and the turbidity is stable in acidic conditions, decreases with increase in pH in alkaline conditions and salt concentration, and increases with increase of stirred time and temperature. The Fourier transform infrared spectra suggest that the amide I band of PLH disappears along with a change in the amide II band upon complexing with KC. These changes further influence the microstructure and reveal a rough, non-uniform and large irregular cavity network structure. Indeed, these observations are intimately associated with the dynamic interactions persistent at the molecular level between the KC and PLH. © 2021 Society of Industrial Chemistry.     

KERNEL: Enabler to build smart surrogates for online optimization and knowledge discovery

KERNEL – A novel parameter-free surrogate building algorithm using Adaptive Neuro Fuzzy Inference System (ANFIS) is presented to provide an intelligent and robust technology to optimally estimate the configuration of ANFIS along with Sobol-based fast sample size determination (SSD) methodology. The proposed algorithm is capable of fine-tuning the existing knowledge base about the physics of the process in terms of human experience. It also enables knowledge discovery through a multi-objective optimization problem (MOOP) solved by non-dominated sorting genetic algorithm, NSGA-II, thus presenting machine-invented physics of the process. Experimentally validated polymerization reaction network model is considered and ANFIS surrogates are built using KERNEL. Surrogate-based optimization was found to be nine times faster than conventional optimization using the time expensive model, thus enabling its online implementation. Comparison of ANFIS with Kriging is also included.     

Novel 1,3,4-oxadiazole derivatives as efficient sensitizers for dye-sensitized solar cells: A combined experimental and computational study

We have synthesized and characterized donor–π–spacer–acceptor type molecules in which 1,3,4-oxadiazoles are π-spacers, triphenylamines are the donors and cyanoacetic acid are the acceptors for use as sensitizers in dye-sensitized solar cells (DSSCs). Detailed absorption, emission, electrochemical, photoelectrochemical and computational studies have been carried out on five novel derivatives. The dyes have an absorption range of 377–388 nm, and an emission in the range of 494–540 nm. There is a large charge transfer from the donor side to the acceptor side on excitation. The propeller shape of the triphenylamine and the bulky substituents on it help in reducing the dye-aggregation on TiO₂ surface. The dyes exhibited good overall conversion efficiency (2.79–3.21%). Plane wave calculations indicate that the dye has a reasonably strong binding to the TiO₂ surface and the generated DOS picture shows an overlap of the molecular orbitals of the dye and the TiO₂ bands. We conclude that the dyes have a promising role as sensitizers in DSSC.     

Effect of CoFe2O4 mole percentage on multiferroic and magnetoelectric properties of Na0.5Bi0.5TiO3/CoFe2O4 particulate composites

Na_0.5Bi_0.5TiO₃ (NBT), CoFe₂O₄ (CFO) as well as particulate composites containing different mole percentages of NBT and CFO were synthesized by the solid-state sintering route and characterized for their ferroelectric and ferrimagnetic hysteresis loops, magnetostriction and magnetoelectric (ME) output. The mole% of CFO was found to influence the ferroelectric and ferrimagnetic hysteresis loops as well as magnetostriction and piezomagnetic coefficients which in turn had a significant effect on the magnetoelectric voltage coefficient. The highest magnetoelectric voltage coefficient (α) of 0.5 mV/cm/Oe was recorded in (65) NBT–(35) CFO composite.