Detailed Molecular Structure Modeling – A Path Forward to Designing Application Properties of ldPE

Summary: This paper describes a step on the ambitious aim to “design” application properties of ldPE by first simulating the detailed molecular structure of a high‐pressure tubular reactor product. The reactor of a certain configuration produces under well‐defined operating conditions. The next step is to correlate the structure with the application properties. Finally, the sequence will be reversed in order to deduce the operating conditions, which lead to the desired product quality. Two‐dimensional distributions, in molecular weight and branching frequency, as well a two compartment models with a core and a shell stream were simulated and compared with experimental results. Therefore, CFD simulations were carried out to discretize the reaction medium. Samples were taken from both pilot and commercial plants. The TREF‐SEC analytical method was successfully applied in order to measure the microscopic structure of the material. The tremendous numerical problems were solved with the help of the software PREDICI .

Detailed MWD for a pilot scale reactor product.     

Iron(II)‐based catalysts for ethene oligomerization

The synthesis of iron(II) complexes with various tridentate di(imino)pyridine ligands and their potential as ethene oligomerization catalysts are described. The ligands are characterized by ¹H‐ and ¹³C‐NMR spectroscopy and the complexes only by mass spectrometry due to their paramagnetism. After activation either with methylalumoxane (MAO) or with a heterogeneous cocatalyst consisting of partially hydrolyzed trimethylaluminum and silica gel, the prepared complexes proved to be good catalysts for the oligomerization of ethene. 1‐Octene, 1‐hexene, and 1‐decene were the major products, formed in very high isomeric purity (99.9 %). © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 88: 476–482, 2003     

Practical validation of the two-fluid model applied to dense gas-solid flows in fluidized beds

This paper discusses the simulation of bubbling gas-solid flows by using the Eulerian two-fluid approach. Predictions of particle motion, bed expansion, bubble size and bubble velocity in bubbling beds containing Geldart B particles are compared with experimental results and correlations found in the literature. In addition, gas mixing in a bed of Geldart A particles is investigated.An in-house code has been developed based on the finite-volume method and the time-splitting approach using a staggered grid arrangement. The velocities in both phases are obtained by solving the 2D Reynolds-averaged Navier/Stokes equations using a partial elimination algorithm (PEA) and a coupled solver. The k-ε turbulence model is used to describe the turbulent quantities in the continuous phase.In general, the model predictions are in good agreement with experimental data found in the literature. Most important observations are: the level of the restitution coefficient was found to be crucial in order to obtain successful results from 2D axisymmetric simulations of a system containing Geldart B particles. Bubble size and bubble rise velocities are not as sensitive to the restitution coefficient. The turbulence model is of outmost importance concerning gas mixing in a fluidized bed of Geldart A particles.From these numerical analyzes an optimized granular flow two-fluid model can be designed for the purpose of simulating reactive systems in fluidized bed reactors.     

Heat‐resistant hydrophobic–oleophobic coatings

Thermally and chemically durable hydrophobic oleophobic coatings, containing different ceramic particles such as SiO₂, SiC, Al₂O₃, which can be alternative instead of Teflon, have been developed and applied on the aluminum substrates by spin‐coating method. Polyimides, which are high‐thermal resistant heteroaromatic polymers, were synthesized, and fluor oligomers were added to these polymers to obtain hydrophobic–oleophobic properties. After coating, Al surface was subjected to Taber‐abrasion, adhesion, corrosion, and thermal tests. The effects of the particle size of ceramic powders, organic matrix, and heat on the coating material were investigated. Coating material was characterized by FTIR spectrophotometer. Surface properties and thermal resistance of the coating materials were investigated by SEM and TGA analyses. After thermal curing, contact angles of these coatings with H₂O and n‐hexadecane were measured. It was observed that coatings like ceramic particles are more resistant against scratch and abrasion than the other coatings. Also, they are harder than coatings, which do not include ceramic particles. It was seen that coatings, containing Fluorolink D10H, have high‐contact angles with water and n‐hexadecane. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 2386–2392, 2006     

Mandibular gland allomones ofDasymutilla occidentalis and other mutillid wasps

The mandibular gland secretion of the mutillid wasp,Dasymutilla occidentalis, possesses three short-chained ketones-4-methyl-3-heptanone (4MH), 4,6-dimethyl-3-nonanone (4,6DMN), 4,6-dimethyl-3-octanone (4,6DMO)—and several unidentified compounds. This is the first report of 4,6DMN as a natural product and its synthesis is described. These ketones, which are either known to be ant alarm pheromones or are structurally very similar to ant alarm pheromones, appear to function as allomones against ants, major potential predators of mutillid wasps. The major secretory component, 4-methyl-3-heptanone, which was identified in females and/ or males of the species analyzed within the generaDasymutilla, Timulla, Traumatomutilla, andPappognatha, appears to constitute a chemical character of the defensive secretions of these genera.     

The Resource-Energy Nexus as a Key Factor for Circular Economy

The extraction of raw materials is associated with energy input and CO₂ emissions. What is obvious for extraction from mining, however, also applies to recycling. Mostly, recycling is preferred for reasons of climate protection or because of the geological scarcity of raw materials, which is controversially discussed. While in mining, the declining ore grade is a driver for the energy demand, in case of recycling it is the dissipation of materials into products or waste. As concentration decreases, the effort required also increases disproportionately. The “closing the loop” metaphor of Circular Economy is therefore inappropriate in its stricter meaning. It is rather about optimizing the overall system and finding the optimal recycling rate. However, first, it must be clarified what the political goals for Circular Economy are.     

New developments in cold spray based on higher gas and particle temperatures

In cold spraying, bonding is associated with shear instabilities caused by high strain rate deformation during the impact. It is well known that bonding occurs when the impact velocity of an impacting particle exceeds a critical value. This critical velocity depends not only on the type of spray material, but also on the powder quality, the particle size, and the particle impact temperature. Up to now, optimization of cold spraying mainly focused on increasing the particle velocity. The new approach presented in this contribution demonstrates capabilities to reduce critical velocities by well-tuned powder sizes and particle impact temperatures. A newly designed temperature control unit was implemented to a conventional cold spray system and various spray experiments with different powder size cuts were performed to verify results from calculations. Microstructures and mechanical strength of coatings demonstrate that the coating quality can be significantly improved by using well-tuned powder sizes and higher process gas temperatures. The presented optimization strategy, using copper as an example, can be transferred to a variety of spray materials and thus, should boost the development of the cold spray technology with respect to the coating quality. This article was originally published inBuilding on 100 Years of Success, Proceedings of the 2006 International Thermal Spray Conference (Seattle, WA), May 15–18, 2006, B.R. Marple, M.M. Hyland, Y.-Ch. Lau, R.S. Lima, and J. Voyer, Ed., ASM International, Materials Park, OH, 2006.     

Why do fish strand? An analysis of ten years of flow reduction monitoring data from the Columbia and Kootenay rivers,Canada

Stranding of fish due to flow reductions has been documented in the near shore of the Columbia and Kootenay Rivers, Canada, and can result in sub‐lethal or lethal effects on fish. Ten years (1999–2009) of monitoring data have been collected at sites below two hydro‐electric dams (Hugh‐L‐Keenleyside and Brilliant Dam) following flow reductions. A generalized linear mixed effects model analysed the probability of a stranding event in relation to environmental and operational variables including the rate of change in the water levels, the duration of shoreline inundation prior to a reduction (wetted history), the river stage, the magnitude of the reduction, distance downstream from the dam, time of day, day of year (season) and whether a site had been physically altered to mitigate stranding. The results demonstrated statistically significant effects on stranding risk from minimum river stage, day of the year and whether a site had been physically re‐contoured. The combination of investigated factors giving the highest probability of stranding was a large magnitude reduction completed in the afternoon in midsummer, at low water levels when the near shore had been inundated for a long period. This research is significant in its approach to assessing years of ecosystem scale monitoring data and using the modelling results to determine ways for these findings to be applied in regulated river management to minimize fish stranding. It also highlighted data gaps that require addressing and provides ecosystem scale results to compare with stranding studies carried out in mesocosms. © 2014 The Authors. River Research and Applications published by John Wiley & Sons Ltd.     

A linear algebra approach to OLAP

Inspired by the relational algebra of data processing, this paper addresses the foundations of data analytical processing from a linear algebra perspective. The paper investigates, in particular, how aggregation operations such as cross tabulations and data cubes essential to quantitative analysis of data can be expressed solely in terms of matrix multiplication, transposition and the Khatri–Rao variant of the Kronecker product. The approach offers a basis for deriving an algebraic theory of data consolidation, handling the quantitative as well as qualitative sides of data science in a natural, elegant and typed way. It also shows potential for parallel analytical processing, as the parallelization theory of such matrix operations is well acknowledged.