Process behavior and product quality in fertilizer manufacturing using continuous hopper transfer pan granulation—Experimental investigations

Fertilizers are commonly used to improve the soil quality in both conventional and organic agriculture. One such fertilizer is dolomite for which soil application in granulated form is advantageous. These granules are commonly produced from ground dolomite powder in continuous pan transfer granulators. During production, the granulator’s operation parameters affect the granules’ properties and thereby also the overall performance of the fertilizer. To ensure product granules of certain specifications and an efficient overall production, process control and intensification approaches based on mathematical models can be applied. However, the latter require high-quality quantitative experimental data describing the effects of process operation parameters on the granule properties. Therefore, in this article, such data is presented for a lab-scale experimental setup. Investigations were carried out into how variations in binder spray rate, binder composition, feed powder flow rate, pan inclination angle, and angular velocity affect particle size distribution, mechanical stability, and humidity. Furthermore, in contrast to existing work samples from both, pan granules and product granules are analyzed. The influence of operation parameter variations on the differences between both, also known as trajectory separation, is described quantitatively. The results obtained indicate an increase in the average particle size with increasing binder flow rate to feed rate and increasing binder concentration and the inclination angle of the pan. Compressive strength varied significantly depending on the operating parameters. Significant differences in properties were observed for the product and the intermediate (pan) samples. In fact, for some operation parameters, e.g., binder feed rate, the magnitude of the separation effect strongly depends on the specific value of the operation parameter. The presented concise data will enable future mathematical modeling of the pan granulation process, e.g., using the framework of population balance equations

An Extended Huckel Theory based Atomistic Model for Graphene Nanoelectronics

An atomistic model based on the spin-restricted extended Huckel theory (EHT) is presented for simulating electronic structure and I-V characteristics of graphene devices. The model is applied to zigzag and armchair graphene nano-ribbons (GNR) with and without hydrogen passivation, as well as for bilayer graphene. Further calculations are presented for electric fields in the nano-ribbon width direction and in the bilayer direction to show electronic structure modification. Finally, the EHT Hamiltonian and NEGF (Nonequilibrium Green's function) formalism are used for a paramagnetic zigzag GNR to show 2e2/h quantum conductance.Comment: 5 pages, 8 figure

Extended Huckel theory for bandstructure, chemistry, and transport. II. Silicon

In this second paper, we develop transferable semi-empirical parameters for the technologically important material, silicon, using Extended Huckel Theory (EHT) to calculate its electronic structure. The EHT-parameters areoptimized to experimental target values of the band dispersion of bulk-silicon. We obtain a very good quantitative match to the bandstructure characteristics such as bandedges and effective masses, which are competitive with the values obtained within an $sp^3 d^5 s^*$ orthogonal-tight binding model for silicon. The transferability of the parameters is investigated applying them to different physical and chemical environments by calculating the bandstructure of two reconstructed surfaces with different orientations: Si(100) (2x1) and Si(111) (2x1). The reproduced $\pi$- and $\pi^*$-surface bands agree in part quantitatively with DFT-GW calculations and PES/IPES experiments demonstrating their robustness to environmental changes. We further apply the silicon parameters to describe the 1D band dispersion of a unrelaxed rectangular silicon nanowire (SiNW) and demonstrate the EHT-approach of surface passivation using hydrogen. Our EHT-parameters thus provide a quantitative model of bulk-silicon and silicon-based materials such as contacts and surfaces, which are essential ingredients towards a quantitative quantum transport simulation through silicon-based heterostructures.Comment: 9 pages, 9 figure

Neutrophils self-limit swarming to contain bacterial growth in vivo

Neutrophils communicate with each other to form swarms in infected organs. Coordination of this population response is critical for the elimination of bacteria and fungi. Using transgenic mice, we found that neutrophils have evolved an intrinsic mechanism to self-limit swarming and avoid uncontrolled aggregation during inflammation. G protein–coupled receptor (GPCR) desensitization acts as a negative feedback control to stop migration of neutrophils when they sense high concentrations of self-secreted attractants that initially amplify swarming. Interference with this process allows neutrophils to scan larger tissue areas for microbes. Unexpectedly, this does not benefit bacterial clearance as containment of proliferating bacteria by neutrophil clusters becomes impeded. Our data reveal how autosignaling stops self-organized swarming behavior and how the finely tuned balance of neutrophil chemotaxis and arrest counteracts bacterial escape

X-ray transition yields of low-Z kaonic atoms produced in Kapton

The X-ray transition yields of kaonic atoms produced in Kapton polyimide (C22H10N2O5) were measured for the first time in the SIDDHARTA experiment. X-ray yields of the kaonic atoms with low atomic numbers (Z = 6, 7, and 8) and transitions with high principal quantum numbers (n = 5-8) were determined. The relative yield ratios of the successive transitions and those of carbon-to-nitrogen (C:N) and carbon-to-oxygen (C:O) were also determined. These X-ray yields provide important information for understanding the capture ratios and cascade mechanisms of kaonic atoms produced in a compound material, such as Kapton.Comment: Accepted in Nucl. Phys. A (2013

An atomistic quantum transport solver with dephasing for field-effect transistors

Extended Huckel theory (EHT) along with NEGF (Non-equilibrium Green's function formalism) has been used for modeling coherent transport through molecules. Incorporating dephasing has been proposed to theoretically reproduce experimental characteristics for such devices. These elastic and inelastic dephasing effects are expected to be important in quantum devices with the feature size around 10nm, and hence an efficient and versatile solver is needed. This model should have flexibility to be applied to a wide range of nano-scale devices, along with 3D electrostatics, for arbitrary shaped contacts and surface roughness. We report one such EHT-NEGF solver with dephasing by self-consistent Born approximation (SCBA). 3D electrostatics is included using a finite-element scheme. The model is applied to a single wall carbon nanotube (CNT) cross-bar structure with a C60 molecule as the active channel. Without dephasing, a negative differential resistance (NDR) peak appears when the C60 lowest unoccupied molecular orbital level crosses a van Hove singularity in the 1D density of states of the metallic CNTs acting as contacts. This NDR diminishes with increasing dephasing in the channel as expected.Comment: to appear in Journal of Computational Electronic

Tuning ZnO Sensors Reactivity toward Volatile Organic Compounds via Ag Doping and Nanoparticle Functionalization

Nanomaterials for highly selective and sensitive sensors toward specific gas molecules of volatile organic compounds (VOCs) are most important in developing new-generation of detector devices, for example, for biomarkers of diseases as well as for continuous air quality monitoring. Here, we present an innovative preparation approach for engineering sensors, which allow for full control of the dopant concentrations and the nanoparticles functionalization of columnar material surfaces. The main outcome of this powerful design concept lies in fine-tuning the reactivity of the sensor surfaces toward the VOCs of interest. First, nanocolumnar and well-distributed Ag-doped zinc oxide (ZnO:Ag) thin films are synthesized from chemical solution, and, at a second stage, noble nanoparticles of the required size are deposited using a gas aggregation source, ensuring that no percolating paths are formed between them. Typical samples that were investigated are Ag-doped and Ag nanoparticle-functionalized ZnO:Ag nanocolumnar films. The highest responses to VOCs, in particular to (CH3)2CHOH, were obtained at a low operating temperature (250 °C) for the samples synergistically enhanced with dopants and nanoparticles simultaneously. In addition, the response times, particularly the recovery times, are greatly reduced for the fully modified nanocolumnar thin films for a wide range of operating temperatures. The adsorption of propanol, acetone, methane, and hydrogen at various surface sites of the Ag-doped Ag8/ZnO(0001) surface has been examined with the density functional theory (DFT) calculations to understand the preference for organic compounds and to confirm experimental results. The response of the synergistically enhanced sensors to gas molecules containing certain functional groups is in excellent agreement with density functional theory calculations performed in this work too. This new fabrication strategy can underpin the next generation of advanced materials for gas sensing applications and prevent VOC levels that are hazardous to human health and can cause environmental damages