A reduced mechanism for biodiesel surrogates with low temperature chemistry for compression ignition engine applications

Biodiesel is a promising alternative fuel for compression ignition (CI) engines. It is a renewable energy source that can be used in these engines without significant alteration in design. The detailed chemical kinetics of biodiesel is however highly complex. In the present study, a skeletal mechanism with 123 species and 394 reactions for a tri-component biodiesel surrogate, which consists of methyl decanoate, methyl 9-decanoate and n-heptane was developed for simulations of 3-D turbulent spray combustion under engine-like conditions. The reduction was based on an improved directed relation graph (DRG) method that is particularly suitable for mechanisms with many isomers, followed by isomer lumping and DRG-aided sensitivity analysis (DRGASA). The reduction was performed for pressures from 1 to 100 atm and equivalence ratios from 0.5 to 2 for both extinction and ignition applications. The initial temperatures for ignition were from 700 to 1800 K. The wide parameter range ensures the applicability of the skeletal mechanism under engine-like conditions. As such the skeletal mechanism is applicable for ignition at both low and high temperatures. Compared with the detailed mechanism that consists of 3299 species and 10806 reactions, the skeletal mechanism features a significant reduction in size while still retaining good accuracy and comprehensiveness. The validations of ignition delay time, flame lift-off length and important species profiles were also performed in 3-D engine simulations and compared with the experimental data from Sandia National Laboratories under CI engine conditions.     

Development of a reduced biodiesel surrogate model for compression ignition engine modeling

Methylbutanoate (MB), a C₄ methyl ester, represents the simplest surrogate that captures the chemical effects of the ester moiety in biodiesel and biodiesel surrogates. An updated chemical kinetic model has been developed to characterize the ignition and flame characteristics of MB. The mechanistic elements within this model that relate to the MB and smaller ester/oxygenate sub-mechanisms are drawn from the prototypical Fisher et al. model and from more recent theory and modeling efforts. The MB model development which is based on an iterative procedure involving global sensitivity analyses to identify elementary reactions that govern ignition and subsequent high level ab initio based theoretical updates to these reaction rates are presented. The MB model makes reasonable predictions of ignition delays and laminar flame speeds.The C₅–C₇ submechanisms from the LLNL n-heptane (NH) model were merged with the present MB model to obtain a detailed chemical kinetics model for a surrogate blend representing biodiesel. The detailed MB-NH model (661 species) was reduced using graph based techniques. The robust reduction techniques employed result in a reduced model (145 species) that is in good agreement with the detailed model over a wide range of conditions. 3-D compression ignition (CI) engine simulations utilizing this reduced chemistry model for MB-NH blends as a surrogate for biodiesel show good agreement with the experimental data suggesting the utility of this model for predictions of combustion and emission characteristics of biodiesel in realistic CI engine simulations.     

Influences of Doping and Annealing on the Structural and Photoluminescence Properties of Y2O3 Nanophosphors

This paper reports the structural and optical properties of rare earth doped and codoped yttrium oxide nanophosphors. Dysprosium (Dy³⁺) and Terbium (Tb³⁺) doped and codoped yttrium oxide (Y₂O₃) phosphors were prepared by combustion synthesis method and subsequently annealed to high temperature to eliminate the hydroxyl group (?OH) and to get more crystallinity. The formation of compounds was confirmed by the X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR). The diffuse reflectance spectra (DRS) of doped and codoped Y₂O₃ powder phosphors were measured and it is observed that the absorption edge of the doped samples is shifted towards blue region with respect to undoped sample. The bandgap of the prepared samples were evaluated with the help of Kubelka-Munk function using Diffuse Reflectance Spectra (DRS) and an increase in bandgap was observed with the decrease in crystallite size. A strong characteristics emission from Tb³⁺ and Dy³⁺ ions was identified and the influence of doping concentration and annealing temperature on photoluminescence properties was systematically studied. Transfer of energy was observed in dysprosium–terbium codoped Y₂O₃ nanophosphor at room temperature from Dy³⁺ ions toTb³⁺ ions.     

Common fixed point results for family of mappings under T-weak reciprocal continuity

In this paper we introduce the idea of T-weak reciprocal continuity which is a more general concept than reciprocal continuity. With the help of this concept and the concept of semi-compatibility, we deduce a common fixed point theorem for a converging family of mappings. An existing result of Som (Bull Cal Math Soc 95(4):307–312, 2003) is generalized in some sense. Two illustrative examples are given in support of our result.     

Luminescence studies of rare earth doped yttrium gadolinium mixed oxide phosphor

This paper reports the photoluminescence and thermoluminescence properties of gamma ray induced rare earth doped yttrium gadolinium mixed oxide phosphor. The europium (Eu³⁺) was used as rare earth dopant. The phosphor was prepared by chemical co-precipitation method according to the formula (Y_2−x−yGd_x) O₃: Eu_y³⁺ (x=0.5; y=0.05). The photoluminescence emission spectrum of the prepared phosphor shows intense peaks in the red region at 615 nm for ⁵D₀→⁷F₂ transitions and the photoluminescence excitation spectra show a broad band located around 220–270 nm for the emission wavelength fixed at 615 nm. The thermoluminescence studies were carried out after irradiating the phosphor by gamma rays in the dose range from 100 Gy to 1 KGy. In the thermoluminescence glow curves, one single peak was observed at about 300 °C of which the intensity increases linearly in the studied dose range of gamma rays. The glow peak was deconvoluted by GlowFit program and the kinetic parameters associated with the deconvoluted peaks were calculated. The kinetic parameters were also calculated by various glow curve shape and heating rate methods.     

Self-consistent Green's function calculation of the nucleon mean free path

The extension of Green's functions techniques to the complex energy plane provides access to fully dressed quasiparticle properties from a microscopic perspective. Using self-consistent ladder self-energies, we find both spectra and lifetimes of such quasiparticles in nuclear matter. With a consistent choice of the group velocity, the nucleon mean-free path can be computed. Our results indicate that, for energies above 50?MeV at densities close to saturation, a nucleon has a mean-free path of 4 to 5?fm.     

Nanostructures on GaAs surfaces due to 60 keV Ar+-ion beam sputtering

The effect of 60 keV Ar⁺-ion beam sputtering on the surface topography of p-type GaAs(1 0 0) was investigated by varying angle of incidence of the ion (0–60°) with respect to substrate normal and the ion fluence (2 × 10¹⁷–3 × 10¹⁸ ions/cm²) at an ion flux of 3.75 × 10¹³ ions/cm²-s. For normal incidence and at a fluence of 2 × 10¹⁷ ions/cm², holes and islands are observed with the former having an average size and density of 31 nm and 4.9 × 10⁹ holes/cm², respectively. For 30° and 45° off-normal incidence, in general, a smooth surface appears which is unaffected by increase of fluence. At 60° off-normal incidence dots are observed while for the highest fluence of 3 × 10¹⁸ ions/cm² early stage of ripple formation along with dots is observed with amplitude of 4 nm. The applicability and limitations of the existing theories of ion induced pattern formation to account for the observed surface topographies are discussed.     

“Doubly Selective” Antimicrobial Polymers: How Do They Differentiate between Bacteria?

We have investigated how doubly selective synthetic mimics of antimicrobial peptides (SMAMPs), which can differentiate not only between bacteria and mammalian cells, but also between Gram‐negative and Gram‐positive bacteria, make the latter distinction. By dye‐leakage experiments on model vesicles and complementary experiments on bacteria, we were able to relate the Gram selectivity to structural differences of these bacteria types. We showed that the double membrane of E. coli rather than the difference in lipid composition between E. coli and S. aureus was responsible for Gram selectivity. The molecular‐weight‐dependent antimicrobial activity of the SMAMPs was shown to be a sieving effect: while the 3000 g mol^?1 SMAMP was able to penetrate the peptidoglycan layer of the Gram‐positive S. aureus bacteria, the 50000 g mol^?1 SMAMP got stuck and consequently did not have antimicrobial activity.     

Effect of embedded lithium nanoclusters on structural, optical and electrical characteristics of MgO thin films

Energetic 1.5 MeV Li⁺ irradiation on MgO thin film surfaces for fluences 10¹³, 10¹⁴ and 10¹⁵ ions/cm² led to radiation damage that altered the grain size from 29 to 9 nm and the internal stress. Optical absorption bands at 5.0, 3.49, 2.16 and 1.27 eV revealed, respectively, the presence of, oxygen vacancies, anion divacancies and trapped-hole centers. DC electrical conductivity of was increased by three orders of magnitude at room temperature as the fluence was increased to 10¹⁵ ions/cm².