A priori analysis of subgrid scale pressure and heat flux in high pressure mixing and reacting shear layers

Direct Numerical Simulation (DNS) data on high pressure H₂/O₂ and H₂/air flames using the compressible flow formulation, detailed kinetics, a real fluid equation of state, and generalised diffusion are analysed. The DNS is filtered over a range of filter widths to provide exact terms in the Large Eddy Simulation (LES) governing equations, including unclosed terms. The filtered pressure and the filtered heat flux vector are extensively compared with the pressure and the heat flux vector calculated as a function of the filtered primitive variables (i.e. the exact LES term is compared with its form available within an actual LES). The difference between these forms defines the subgrid pressure and the subgrid heat flux vector. The analyses are done both globally across the entire flame, as well as by conditionally averaging over specific regions of the flame; including regions of large subgrid kinetic energy, subgrid scalar dissipation, subgrid temperature variance, flame temperature, etc. In this work, although negligible for purely mixing cases, the gradient of the subgrid pressure is shown to be of the same order as, and larger than, the corresponding divergence of the turbulent subgrid stresses for reacting cases. This is despite the fact that all species behave essentially as ideal gases for this flame and holds true even when the ideal gas law is used to calculate the pressure. The ratio of the subgrid pressure gradient to the subgrid stress tensor divergence is shown to increase with increasing Reynolds number. Both the subgrid heat flux vector and its divergence are found to be substantially larger in reacting flows in comparison with mixing due to the associated larger temperature gradients. However, the divergence of the subgrid heat flux vector tends to be significantly smaller than other unclosed terms in the energy equation with decreasing significance with increasing Reynolds number.     

Multi-elemental characterization of tunnel and road dusts in Houston,Texas using dynamic reaction cell-quadrupole-inductively coupled plasma–mass spectrometry: Evidence for the release of platinum group and anthropogenic metals from motor vehicles

Platinum group elements (PGEs) including Rh, Pd, and Pt are important tracers for vehicular emissions, though their measurement is often challenging and difficult to replicate in environmental campaigns. These challenges arise from sample preparation steps required for PGE quantitation, which often cause severe isobaric interferences and spectral overlaps from polyatomic species of other anthropogenically emitted metals. Consequently, most previous road dust studies have either only quantified PGEs or included a small number of anthropogenic elements. Therefore a novel analytical method was developed to simultaneously measure PGEs, lanthanoids, transition and main group elements to comprehensively characterize the elemental composition of urban road and tunnel dusts. Dust samples collected from the vicinity of high-traffic roadways and a busy underwater tunnel restricted to single-axle (predominantly gasoline-driven) vehicles in Houston, TX were analyzed for 45 metals with the newly developed method using dynamic reaction cell-quadrupole-inductively coupled plasma–mass spectrometry (DRC-q-ICP–MS). Average Rh, Pd and Pt concentrations were 152 ± 52, 770 ± 208 and 529 ± 130 ng g⁻¹ respectively in tunnel dusts while they varied between 6 and 8 ng g⁻¹, 10 and 88 ng g⁻¹ and 35 and 131 ng g⁻¹ in surface road dusts. Elemental ratios and enrichment factors demonstrated that PGEs in dusts originated from autocatalyst attrition/abrasion. Strong evidence is also presented for mobile source emissions of Cu, Zn, Ga, As, Mo, Cd, Sn, Sb, Ba, W and Pb. However, all other elements including rare earths most likely arose from weathering, erosion and resuspension of crustal material. These are the first such detailed measurements in Houston, the largest city in TX and fourth largest in the United States. We posit that such investigations will assist in better understanding PGE concentrations in urban environments while providing elemental data necessary to better understand anthropogenic influences on their biogeochemical cycling.     

Dentin Phosphoprotein Mimetic Peptide Nanofibers Promote Biomineralization

Dentin phosphoprotein (DPP) is a major component of the dentin matrix playing crucial role in hydroxyapatite deposition during bone mineralization, making it a prime candidate for the design of novel materials for bone and tooth regeneration. The bioactivity of DPP‐derived proteins is controlled by the phosphorylation and dephosphorylation of the serine residues. Here an enzyme‐responsive peptide nanofiber system inducing biomineralization is demonstrated. It closely emulates the structural and functional properties of DPP and facilitates apatite‐like mineral deposition. The DPP‐mimetic peptide molecules self‐assemble through dephosphorylation by alkaline phosphatase (ALP), an enzyme participating in tooth and bone matrix mineralization. Nanofiber network formation is also induced through addition of calcium ions. The gelation process following nanofiber formation produces a mineralized extracellular matrix like material, where scaffold properties and phosphate groups promote mineralization. It is demonstrated that the DPP‐mimetic peptide nanofiber networks can be used for apatite‐like mineral deposition for bone regeneration.     

Analytical approach for the fractional differential equations by using the extended tanh method

In this study, we consider analytical solutions of space–time fractional derivative foam drainage equation, the nonlinear Korteweg–de Vries equation with time and space-fractional derivatives and time-fractional reaction–diffusion equation by using the extended tanh method. The fractional derivatives are defined in the modified Riemann–Liouville context. As a result, various exact analytical solutions consisting of trigonometric function solutions, kink-shaped soliton solutions and new exact solitary wave solutions are obtained.     

The assessment of miscibility and morphology of poly(ε-caprolactone) and poly(para-chlorostyrene) blends

The miscibility and morphology of poly(ε-caprolactone) (PCl) and poly(para-chlorostyrene) (PpClS) blend were investigated by using thermal analysis, morphological analysis, viscometry, and the study of melting point depression. A single glass transition temperature was observed by differential scanning calorimetry (DSC) for PCl/PpClS blends in the whole compositional range (0/100, 25/75, 50/50, 62.5/37.5, 75/25, 90/10). Morphology of the polymers and their blends was studied by scanning electron microscopy (SEM). The Fourier transform infrared spectra of the samples were obtained by spectrometer. Up to 12 cm⁻¹ shifts in carbonyl stretching band of PCl was detected in the spectra of PpClS rich blends. The viscosity of PCl, PpClS and their blends has also been studied to investigate the miscibility according the miscibility criteria Δb, and Δ[η]. Using this data, the interaction parameters α and μ, based on the Chee and Sun et al. approaches were determined. These criteria indicated that the blend is miscible in all proportions up to 90% of PCl content in the blends. The melting point depression of PCl in the blends was examined to obtain the interaction parameter, χ₁₂ for this system. The parameter, χ₁₂ was found to be composition dependent. Negative values of the obtained interaction parameter also support the miscibility of this system up to the 90% PCl in the blend.     

Comparison of relative INAA and k0-INAA using proficiency test materials at ITU TRIGA Mark II research reactor

Journal of Radioanalytical and Nuclear Chemistry - Proficiency testing is an important way of evaluating the analytical method used in the laboratory. In recent years, neutron activation analysis...     

Product integration of logarithmic singular integrands based on cubic splines

This paper is concerned with the practical evaluation of the product integral ∫¹_{? 1}f(x)k(x)dx for the case when k(x) = In|x - λ|, λ? (?1, +1) and f is bounded in [?1, +1]. The approximation is a quadrature rule

where the weights {w_n,n,i} are chosen to be exact when f is given by a linear combination of a chosen set of functions {φ_n,j}. In this paper the functions {φ_n,j} are chosen to be cubic B-splines. An error bound for product quadrature rules based on cubic splines is provided. Examples that test the performance of the product quadrature rules for different choices of the function are given. A comparison is made with product quadrature rules based on first kind Chebyshev polynomials.     

A decomposition approach for facility location and relocation problem with uncertain number of future facilities

In this paper, we discuss two challenges of long term facility location problem that occur simultaneously; future demand change and uncertain number of future facilities. We introduce a mathematical model that minimizes the initial and expected future weighted travel distance of customers. Our model allows relocation for the future instances by closing some of the facilities that were located initially and opening new ones, without exceeding a given budget. We present an integer programming formulation of the problem and develop a decomposition algorithm that can produce near optimal solutions in a fast manner. We compare the performance of our mathematical model against another method adapted from the literature and perform sensitivity analysis. We present numerical results that compare the performance of the proposed decomposition algorithm against the exact algorithm for the problem.