Population Balance Modeling with Coupled Agglomeration and Disintegration Processes for TiO2 Nanoparticles Formation and Experimental Validation

Particle size distribution of nanoparticles plays an important role in modelling many scientific and engineering problems. In this article, we proposed a Finite Volume Method (FVM) to model TiO₂ nanoparticles formation using population balance equations (PBEs) by incorporating the simultaneous agglomeration and disintegration processes. The superposition of the PBEs for agglomeration and disintegration with different kernels leads to a system of partial-integro differential equations, which are numerically solved by using FVM. The precipitation of TiO₂ nanoparticles in the batch reactor is studied experimentally as well as by numerical simulations based on Austin and Diemer disintegration kernels and Shear agglomeration kernel. Finally, the capability of the precipitation model is evaluated and the experimental results on particle sizes are compared with the numerical results.

     

Hydrothermal processing of waste pine wood into industrially useful products

An ongoing major outbreak of mountain pine beetle in Western Canada has provided a clear opportunity to utilize waste pinewood as a source of renewable energy. Therefore hydrothermal processing of waste pinewood as a feedstock for bio-oil and biochar production using subcritical and supercritical water technology was carried out in semi-batch mode to investigate the effect of pressure (200–400 bar) and temperature (300–400 °C) on the yield and composition of bio-oil. The pinewood samples have very high cellulose and hemicellulose content but low ash content and are thus a formidable feedstock for bioenergy production. The optimum conditions for the hydrothermal processing of the pinewood in a tubular reactor were found to be 400 °C and 250 bars with respect to biochar and bio-oil yield based on the highest calorific value analysis. Detailed characterization of bio-oil and biochar was performed using GCMS, NMR, SEM, calorific value, and elemental analysis, respectively. The critical components of bio-oil were found to be phenols, methoxyphenols, hydroxymethyl furfural (HMF), and vanillin, whereas as compared to the raw pine wood, the biochar was considerably lower H:C and O:C ratios than those of the unprocessed pinewood. The analyses of bio-oil by means of GCMS and ¹H NMR showed that it was mainly composed of heterocyclic compounds, phenols, aldehydes and acids.     

Novel label-free DNA sensors based on poly(3,4-ethylenedioxythiophene)

We report on the design and development of a novel label-free DNA sensor based on conducting poly(3,4-ethylenedioxythiophene) for the direct detection and quantification of target ssDNA.     

Probing interface electronic structure with overlayer quantum-well resonances: Al/Si(111)

The dispersion of quantum-well resonances in ultrathin epitaxial Al films on Si(111) reveals energy- and wave vector-dependent reflection properties at the Al/Si interface. The substrate electronic structure strongly influences the phase shift of the electron waves upon reflection at the interface. Thus the details of the substrate electronic structure need to be taken into account for a complete analysis of metallic quantum-well resonances. Furthermore, the assumption of loss of parallel wave vector information upon reflection or transmission through a lattice-mismatched interface is challenged. The changes induced in the electronic structure of the overlayer can be used to probe the ground-state substrate band edges.     

Random replicators with high-order interactions

We use tools of the equilibrium statistical mechanics of disordered systems to study analytically the statistical properties of an ecosystem composed of N species interacting via random mutual interactions, as well as via deterministic self-interactions of order p>/=2. We show that the main effect of increasing the order of the interactions among the species is to make the system less competitive, in the sense that the fraction of extinct species is greatly reduced. In addition, we find that for p>2 there is a threshold value which gives a lower bound to the concentration of the surviving species, preventing then the existence of rare species and, consequently, increasing the robustness of the ecosystem to external perturbations.     

Probing binding preferences of DNA and RNA: backbone chirality of thioacetamido-linked nucleic acids and iso-thioacetamido-linked nucleic acids to differentiate DNA versus RNA selective binding

Subtle differences in RNA and DNA duplex geometry could be sensed by the changed stereochemistry at 3'-amino function in the 5-atom thioacetamido linker of thioacetamido-linked nucleic acids and iso-thioacetamido-linked nucleic acids modified oligomers. In contrast to the preferred N-type sugar conformations for either 3'- ribo- or xylo amino nucleosides, predominant S-type sugar conformations were found in the dimers. Although the CD spectral differences for the dimer blocks were found to be identical for those found in phosphodiester linked ribo/xylo dimers, the 5-atom thioactamido linker could reverse the RNA binding selectivity to DNA binding selectivity by the change in configuration at the 3'-amino-substituted sugar.     

Solving nonlinear parabolic PDEs via extended hybrid BDF methods

The details of new methods based on backward differentiation formulas (BDF) for the MOL solution of one-dimensional nonlinear time dependent PDEs are presented. In these extended hybrid BDF methods, we say EHBDF, one additional stage point (or off-step point) together with one step point have been used in the first derivative of the solution. All presented methods, of order p, p = 2,3,..., 12, are A(α)-stable whereas they have wide stability regions comparing with those of some known methods such as BDF, extended BDF (EBDF) and modified EBDF (MEBDF) methods.     

A note on resolutions mod i

In this note we give new examples of Golod pairs, extending results of Shamash, Avramov, Gover and Salmon. We also prove a result, relating Betti numbers of ideals I and I + (x) in a local ring R where the ideal I has a linear protective resolution and x is a non zero divisor in R.     

MOVPE growth and characterization of a ‐plane AlGaN over the entire composition range

We report the metal organic vapor phase epitaxy (MOVPE) growth and characterization of non‐polar (11 0) a ‐plane Al_x Ga_1–xN on (1 02) r ‐plane sapphire substrates over the entire composition range. Al_x Ga_1–xN samples with ～0.8 μm thick layers and with x = 0, 0.18, 0.38, 0.46, 0.66, and 1.0 have been grown on r ‐plane sapphire substrates. The layer quality can be improved by using a 3‐stage AlN nucleation layer and appropriate V/III ratio switching following nucleation. All a ‐plane AlGaN epilayers show an anisotropic in‐plane mosaicity, strongly influenced by Al incorporation and growth conditions. Careful lattice parameter measurements show anisotropic in‐plane strain that results in an orthorhombic distortion of the hexagonal unit cell, making Al composition determination from X‐ray diffraction difficult. In general lower Al incorporation is seen in a ‐plane epilayers compared to c ‐plane samples grown under the same conditions. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)