Kinetics of CO oxidation on palladium using microkinetics coupled with reaction route analysis

A plausible microkinetic model has been proposed for the CO oxidation reaction catalysed by palladium (Pd) with the kinetic parameters obtained from the literature. A robust rate expression using the reaction route analysis has been developed for the presented microkinetic scheme and the obtained rate expressions have been validated against the experimental data presented in the literature. A wide range of experimental conditions ranging from single Pd crystals under ultra-high vacuum conditions and impregnated Pd used for fixed bed experiments under atmospheric pressure has been used to validate the reaction mechanism. (C) 2015 Elsevier Ltd. All rights reserved.

Imaging cellular signalling: many `moving tales' in MAP kinase odyssey

Cellular signalling events are at the core of every adaptive response. Signalling events link environmental changes to physiological responses, consequently allowing cellular and organismal sustenance and survival. Classical approaches to study cellular signalling have relied on a variety of cell disruptive techniques which yield limited kinetic information, while the underlying events are much more complex. In this article, we discuss how modern live cell imaging microscopy has found increasing utilization in revealing spatio temporal dynamics of various signalling pathways. Utilizing the well studied mitogen-activated protein kinase (MAPK) signalling cascade as a template, the design, construction and utilization of `mobile' (translocation proficient) biosensors, suitable for studying MAPK signalling in living cells are described in detail. Experimental setup and results obtained from these biosensors, based on different proteins involved in the MAPK signalling cascade, have been described along with the setup of a microscope optimal for live cell imaging applications. Utilizing the ability to activate or deactivate signalling pathways using defined activators and specific pharmacological inhibitors, we also show how these sensors can yield unique spatial and temporal kinetic information of signalling in living cells.

Biodiesel Exhaust Treatment with Dielectric Barrier Discharges Coupled with Industrial Waste Byproducts

Biodiesel run engines are gaining popularity since the last few years as a viable alternative to conventional petro-diesel based engines. In biodiesel exhaust the content of volatile organic compounds, oil mist, and mass of particulate matter is considerably lower. However, the concentration of oxides of nitrogen (NOx) is relatively higher. In this paper the biodiesel exhaust from a stationary engine is treated under controlled laboratory conditions for removal of NOx using dielectric barrier discharge plasma in cascade with adsorbents prepared from abundantly available industrial waste byproducts like red mud and copper slag. Results were compared with gamma-alumina, a commercial adsorbent. Two different dielectric barrier discharge (DBD) reactors were tested for their effectiveness under Repetitive pulses /AC energization. NOx removal as high as 80% was achieved with pulse energized reactors when cascaded with red mud as adsorbent.

Coupled Mechanisms of Precipitation and Atomization in Burning Nanofluid Fuel Droplets

Understanding the combustion characteristics of fuel droplets laden with energetic nanoparticles (NP) is pivotal for lowering ignition delay, reducing pollutant emissions and increasing the combustion efficiency in next generation combustors. In this study, first we elucidate the feedback coupling between two key interacting mechanisms, namely, secondary atomization and particle agglomeration; that govern the effective mass fraction of NPs within the droplet. Second, we show how the initial NP concentration modulates their relative dominance leading to a masterslave configuration. Secondary atomization of novel nanofuels is a crucial process since it enables an effective transport of dispersed NPs to the flame (a pre-requisite condition for NPs to burn). Contrarily, NP agglomeration at the droplet surface leads to shell formation thereby retaining NPs inside the droplet. In particular, we show that at dense concentrations shell formation (master process) dominates over secondary atomization (slave) while at dilute particle loading it is the high frequency bubble ejections (master) that disrupt shell formation (slave) through its rupture and continuous outflux of NPs. This results in distinct combustion residues at dilute and dense concentrations, thereby providing a method of manufacturing flame synthesized microstructures with distinct morphologies.

Seismic intensity map of South India for estimated future earthquakes

In this study, an attempt has been made to prepare the seismic intensity map for south India considering the probable earthquakes in the region. Anbazhagan et al. (Nat Hazards 60:1325-1345, 2012) have identified eight probable future earthquake zones in south India based on rupture-based seismic hazard analysis. Anbazhagan et al. (Eng Geol 171:81-95, 2014) has estimated the maximum future earthquake magnitude at these eight zones using regional rupture character. In this study, the whole south India is divided into several grids of size 1(o) x 1(o) and the intensity at each grid point is calculated using the regional intensity model for the maximum earthquake magnitude at each of the eight zones. The intensity due to earthquakes at these zones is mapped and thus eight seismic intensity maps are prepared. The final seismic intensity map of south India is obtained by considering the maximum intensity at each grid point due to the estimated earthquakes. By looking at the seismic intensity map, one can expect slight to heavy damage due to the probable earthquake magnitudes. Heavy damage may happen close to the probable earthquake zones.

Efficient coupled polynomial interpolation scheme for out-of-plane free vibration analysis of curved beams

The performance of two curved beam finite element models based on coupled polynomial displacement fields is investigated for out-of-plane vibration of arches. These two-noded beam models employ curvilinear strain definitions and have three degrees of freedom per node namely, out-of-plane translation (v), out-of-plane bending rotation (theta(z)) and torsion rotation (theta(s)). The coupled polynomial interpolation fields are derived independently for Timoshenko and Euler-Bernoulli beam elements using the force-moment equilibrium equations. Numerical performance of these elements for constrained and unconstrained arches is compared with the conventional curved beam models which are based on independent polynomial fields. The formulation is shown to be free from any spurious constraints in the limit of `flexureless torsion' and `torsionless flexure' and hence devoid of flexure and torsion locking. The resulting stiffness and consistent mass matrices generated from the coupled displacement models show excellent convergence of natural frequencies in locking regimes. The accuracy of the shear flexibility added to the elements is also demonstrated. The coupled polynomial models are shown to perform consistently over a wide range of flexure-to-shear (EI/GA) and flexure-to-torsion (EI/GJ) stiffness ratios and are inherently devoid of flexure, torsion and shear locking phenomena. (C) 2015 Elsevier B.V. All rights reserved.

Photometric metallicity map of the Large Magellanic Cloud

We have estimated a metallicity map of the Large Magellanic Cloud (LMC) using the Magellanic Cloud Photometric Survey (MCPS) and Optical Gravitational Lensing Experiment (OGLE III) photometric data. This is a first of its kind map of metallicity up to a radius of 4 degrees-5 degrees, derived using photometric data and calibrated using spectroscopic data of Red Giant Branch (RGB) stars. We identify the RGB in the V, (V - I) colour-magnitude diagrams of small subregions of varying sizes in both data sets. We use the slope of the RGB as an indicator of the average metallicity of a subregion, and calibrate the RGB slope to metallicity using spectroscopic data for field and cluster red giants in selected subregions. The average metallicity of the LMC is found to be Fe/H] = -0.37 dex (sigmaFe/H] = 0.12) from MCPS data, and Fe/H] = -0.39 dex (sigmaFe/H] = 0.10) from OGLE III data. The bar is found to be the most metal-rich region of the LMC. Both the data sets suggest a shallow radial metallicity gradient up to a radius of 4 kpc (-0.049 +/- 0.002 dex kpc(-1) to -0.066 +/- 0.006 dex kpc(-1)). Subregions in which the mean metallicity differs from the surrounding areas do not appear to correlate with previously known features; spectroscopic studies are required in order to assess their physical significance.

Edge states, spin transport, and impurity-induced local density of states in spin-orbit coupled graphene

We study graphene, which has both spin-orbit coupling (SOC), taken to be of the Kane-Mele form, and a Zeeman field induced due to proximity to a ferromagnetic material. We show that a zigzag interface of graphene having SOC with its pristine counterpart hosts robust chiral edge modes in spite of the gapless nature of the pristine graphene; such modes do not occur for armchair interfaces. Next we study the change in the local density of states (LDOS) due to the presence of an impurity in graphene with SOC and Zeeman field, and demonstrate that the Fourier transform of the LDOS close to the Dirac points can act as a measure of the strength of the spin-orbit coupling; in addition, for a specific distribution of impurity atoms, the LDOS is controlled by a destructive interference effect of graphene electrons which is a direct consequence of their Dirac nature. Finally, we study transport across junctions, which separates spin-orbit coupled graphene with Kane-Mele and Rashba terms from pristine graphene both in the presence and absence of a Zeeman field. We demonstrate that such junctions are generally spin active, namely, they can rotate the spin so that an incident electron that is spin polarized along some direction has a finite probability of being transmitted with the opposite spin. This leads to a finite, electrically controllable, spin current in such graphene junctions. We discuss possible experiments that can probe our theoretical predictions.

Identification of type and degree of railway ballast fouling using ground coupled GPR antennas

GPR is widely used for ballast fouling identification, however, there are no robust guidelines to find the degree and type of fouling quantitatively. In this study, GPR studies were carried out on model and actual railway tracks using three ground coupled antennas and considering three fouling materials. Three ground coupled antennas viz., 100 MHz, 500 MHz and 800 MHz antennas were used for the initial survey and it was found that the 800 MHz ground coupled antenna is an optimum one to get quality results. Three major fouling materials viz., screened/broken ballast, coal and iron ore were used to construct prototype model sections, which were 1/2 of the actual Indian broad-gauge railway track. A separate model section has been created for each degree and type of fouling and GPR surveys were carried out. GPR study shows that increasing the fouling content results in a decrease in the Electromagnetic Wave (EMW) velocity and an increase in the dielectric constant. EMW velocity of ballast fouled with screened ballast was found to be more than coal fouled ballast and iron ore fouled ballast at any degree of fouling and EMW velocity of iron ore fouled ballast was found to be less than coal and screen ballast fouled ballast. Dielectric constant of iron ore fouled ballast was found to be higher than coal and screen ballast fouled ballast for all degrees of fouling. Average slope of the trend line of screen ballast fouled section is low (25.6 degrees), coal fouled ballast is medium (27.8 degrees) and iron ore fouled ballast is high (47.6 degrees). (C) 2016 Elsevier B.V. All rights reserved.

Spatio-temporal Map Formation Based on a Potential Function

We revisit the problem of temporal self organization using activity diffusion based on the neural gas (NGAS) algorithm. Using a potential function formulation motivated by a spatio-temporal metric, we derive an adaptation rule for dynamic vector quantization of data. Simulations results show that our algorithm learns the input distribution and time correlation much faster compared to the static neural gas method over the same data sequence under similar training conditions.

Visualisation of charge-transfer excitations in donor-acceptor molecules using the particle-hole map: a case study

Charge-transfer (CT) excitations are essential for photovoltaic phenomena in organic solar cells. Owing to the complexity of molecular geometries and orbital coupling, a detailed analysis and spatial visualisation of CT processes can be challenging. In this paper, a new detail-oriented visualisation scheme, the particle-hole map (PHM), is applied and explained for the purpose of spatial analysis of excitations in organic molecules. The PHM can be obtained from the output of a time-dependent density-functional theory calculation with negligible additional computational cost, and provides a useful physical picture for understanding the origins and destinations of electrons and holes during an excitation process. As an example, we consider intramolecular CT excitations in Diketopyrrolopyrrole-based molecules, and relate our findings to experimental results.

COUPLED OPTICAL-THERMAL-FLUID MODELING OF A DIRECTLY HEATED TUBULAR SOLAR RECEIVER FOR SUPERCRITICAL CO2 BRAYTON CYCLE

Recent studies have evaluated closed-loop supercritical carbon dioxide (s-CO2) Brayton cycles to be a higher energy density system in comparison to conventional superheated steam Rankine systems. At turbine inlet conditions of 923K and 25 MPa, high thermal efficiency (similar to 50%) can be achieved. Achieving these high efficiencies will make concentrating solar power (CSP) technologies a competitive alternative to current power generation methods. To incorporate a s-CO2 Brayton power cycle in a solar power tower system, the development of a solar receiver capable of providing an outlet temperature of 923 K (at 25 MPa) is necessary. The s-CO2 will need to increase in temperature by similar to 200 K as it passes through the solar receiver to satisfy the temperature requirements of a s-CO2 Brayton cycle with recuperation and recompression. In this study, an optical-thermal-fluid model was developed to design and evaluate a tubular receiver that will receive a heat input similar to 2 MWth from a heliostat field. The ray-tracing tool SolTrace was used to obtain the heat-flux distribution on the surfaces of the receiver. Computational fluid dynamics (CFD) modeling using the Discrete Ordinates (DO) radiation model was used to predict the temperature distribution and the resulting receiver efficiency. The effect of flow parameters, receiver geometry and radiation absorption by s-CO2 were studied. The receiver surface temperatures were found to be within the safe operational limit while exhibiting a receiver efficiency of similar to 85%.

Kinetic and Size Control of Polystyrene and Polyacrylic Octadecyl Ester Lattices Via Polymerization in O/W Microemulsions

The kinetic studies of the acrylic octadecyl ester and styrene polymerization in microemulsion systems, (1) cetyl pyridine bromide (CPDB)/t-butanol/styrene/water; (2) CPDB/t-butanol/toluene + acrylic octadecyl ester (1:1, w/v)/ water; (3) cetyl pyridine bromide/styrene/formamide, were made by using dynamic laser light scattering techniques (DLS). The mechanisms of nucleation of latex particles were discussed. The most possible nucleation location of the styrene and acrylic octadecyl ester microlatex particles in aqueous microemulsion system is in aqueous phase via homogeneous nucleation. Meanwhile, parts of microlatex particles are possibly produced via swollen micelles (microemulsions) and monomer droplets nucleation. On the other hand, the most possible nucleation location of the styrene microlatex particles in nonaqueous microemulsion system is inside monomer droplets. The relationship between the amount of monomer and the size of microlatex was also investigated. It has been found that the size of microlatex particles could be controlled by changing the amount of monomer. (C) 2002 Elsevier Science B.V. All rights reserved.