Arbitrary shaped ice particle melting under the influence of natural convection

This work is devoted to numerical simulations of an arbitrary shaped ice particle melting inside water under the influence of natural convection. Specifically, four different shapes of the ice particle have been studied: sphere, cylinder, cross shaped cylinder, and irregular sphere with radial bumps on its surface. A 2D axisymmetric particle‐resolved numerical model has been employed on a fixed grid to study the detailed melting dynamics of an ice particle. The solid‐liquid interface is treated as a porous medium characterized by the permeability coefficient which is used to damp the velocity values inside the interface. The model results have been compared with an existing experimental results produced by A. Shukla et al. (Metal Mater Trans B. 2011; 42(1):224–235). Very good agreement between our predictions and experimental data have been achieved. Based on the analysis of numerical simulation results, melting process is found to advance through two distinct regimes, namely, establishment of the natural convection and active melting of ice particle exhibiting substantial amount of fluid‐particle interactions. A set of dimensionless parameters have been identified to distinguish between regimes. Finally, we developed a semi‐empirical to predict the melting of any arbitrary shaped ice particle and validated it against the particle‐resolved numerical simulation and experimental results. The comparison showed good agreement. Finally, the presented semi‐empirical model can be used as sub‐grid model in Euler‐Lagrange based numerical models to study the phase change phenomena in particulate flow systems. © 2017 American Institute of Chemical Engineers AIChE J, 63: 3158–3176, 2017     

Preparation of dehydroxylated and delaminated talc: Meta-talc

The roentgen-amorphous delaminated and dehydroxylated phase was prepared applying intensive milling procedure and subsequent thermal treatment of talc. Due to the similarity in properties and in thermal behavior of this material with roentgen-amorphous delaminated and dehydroxylated kaolinite phase, i.e. meta-kaolinite, the name meta-talc was suggested for this material. The properties and the behavior during thermal treatment were investigated using thermal analysis, x-ray diffraction analysis, infrared spectroscopy and scanning electron microscopy. The suggested procedure changes the activation energy of dehydroxylation, the behavior during thermal treatment and the phase composition of the product. The kinetics and thermodynamics of the thermal transition were evaluated using Kissinger equation and Eyering law.     

Contact Doping for Vertical Organic Field‐Effect Transistors

Doping is a powerful tool to overcome contact limitations in short‐channel organic field‐effect transistors (OFETs) and has been successfully used in the past to improve the charge carrier injection in OFETs. The present study applies this familiar concept to the architecture of vertical organic field‐effect transistors (VOFETs), which are often severely limited by injection due to their very short channel lengths. The present study shows that the performance of p‐type VOFETs with pentacene as an active material can be significantly enhanced by the addition of the common p‐dopant C₆₀F₃₆ as a thin injection layer underneath the VOFET source electrode, resulting in an increase of On‐state current and On/Off ratio by one order of magnitude. The present study further investigates mixed injection layers of pentacene and the p‐dopant and finds that the improvement is less pronounced than for the pure dopant layers and depends on the concentration of dopant molecules in the injection layer. Through application of the transfer length method to equivalent OFET geometries, the present study is finally able to link the observed improvement to a decrease in transfer length and can thus conclude that this length is a crucial parameter onto which further improvement efforts have to be concentrated to realize true short‐channel VOFETs.     

Notes on the Asymmetric Hydrogenation of Methyl Acetoacetate in Neoteric Solvents

Asymmetric hydrogenation of methyl acetoacetate to methyl (R)-3-hydroxybutyrate by [(R)- RuCl(binap)(p-cymen)]Cl has been studied in methanol-ionic liquid and methanol- dense CO₂ solvent systems. The ionic pairs triethylhexylammonium and 1-methylimidazolium with bis(trifluoromethane sulfonyl) imide and hexafluorophosphates were used. The role of ionic pairs on the kinetic parameters and (enantio)selectivity has been demonstrated. Although the CO₂ expanded methanol system suffered from a reduction in both reaction rate and product selectivity, this changed in the presence of water. The high selectivity of the optimized methanol-CO₂-water-halide system was designed as a consequence of observed additive effects.     

Development and benchmarking of a mechanical model for GFR plate-type fuel

The reference fuel design currently being considered within the Generation-IV Gas-cooled Fast Reactor (GFR) project is a ceramic plate matrix with a honeycomb inner structure containing small fuel cylinders. The fuel is mixed plutonium–uranium carbide, while the matrix material is silicon carbide. The present paper describes the mechanical part of a thermal–mechanical model being developed for studying the transient behavior of this highly heterogeneous fuel type. Benchmarking has been carried out against detailed finite-elements modeling (FEM).The resultant thermal–mechanical model can provide reliable fuel and cladding (matrix) stress/strain conditions to evaluate temperatures and neutronic feedbacks. As such, it has been integrated into PSI’s coupled code system “FAST”, which aims at the comprehensive safety analysis of advanced fast reactor systems.The detailed FEM analysis of the GFR fuel has been useful not only for benchmarking the new model, but also for obtaining an in-depth understanding of fuel stress/strain characteristics, which cannot be reproduced with simplified models. Thereby, the range of applicability of the new model has clearly been defined. In particular, the 3D FEM analysis has revealed a concentration of stresses at the pellet corners during pellet/matrix contact, which could lead to fuel element failure. This effect is found to be mitigated considerably, if the fuel pellets are shaped in a manner which enhances the contact area.     

Actor networks and the construction of applicable knowledge: the case of the Timbre Brownfield Prioritization Tool

This article deals with experiences acquired during the process of developing the Timbre Brownfield Prioritization Tool (TBPT). Developing a decision support tool that takes into account the expectations and experiences of its potential users is similar to creating applicable knowledge by the joint action of scientists and heterogeneous actors. Actor network theory is used to explore the construction of this form of applicable knowledge as a process of actor network creation. Following the French sociologist Callon, networks are seen to be initiated and carried out by a group of scientists (tool developers) via four moments of translation, called problematization, interessement, enrolment and mobilization. Each step in the construction of the TBPT—from the initial research question to the final model—can be linked in retrospect to changing configurations of actor networks. Based on the experiences of the tool developers in the Czech Republic, Poland, Germany and Romania, we illustrate how these configurations varied across space and time. This contribution emphasizes the ability to correlate gains in knowledge with the more visible changes in the scope of actor networks in order to highlight achievements but also limitations in acquiring applicable knowledge.     

Ranking the efficacies of selected red wine phenolic anti-oxidants using reversed-phase HPLC

Several studies have assessed total anti-oxidant activity of wine or individual components in isolation using chemical-based assays. In this study, a quantitative approach was developed to assess the relative anti-oxidant efficacies of selected red wine phenolics via peak reduction, using reversed-phase HPLC. Both intact red wine and phenolic standard solutions were challenged with five oxidant model systems as follows: (1) hydrogen peroxide (H₂O₂); redox-active metal ions (2) Fe³⁺ and (3) Cu²⁺; and the Fenton reagents (4) H₂O₂ + Fe²⁺; and (5) H₂O₂ + Cu⁺. Treatment with oxidants (1–3) resulted in loss of 47–60% of phenolic standards, which increased to 66–89% for treatment with the Fenton systems, with quercetin exhibiting the optimal anti-oxidant activity. For intact red wine, treatment with oxidants (1–3) led to all phenolic compounds being oxidised (27–77% loss), with caffeic acid and quercetin as the most effective anti-oxidants. For both Fenton systems (4–5), activities in red wine were considerably enhanced for caffeic acid and quercetin, which exhibited the highest anti-oxidant efficacies with 100% peak reduction, while p-coumaric acid and gallic acid were less effective anti-oxidants with peak reductions of 60–68%. The ranking, facilitated by this new quantitative approach, allows comparison of the individual efficacies of the anti-oxidants in a complex matrix.     

Dyeing of leather with microencapsulated acid dye

CI Acid Black 210 was microencapsulated into liposomic systems, and the effects of the microencapsulation on dyebath exhaustion, depth of shade, colour fastness properties and through‐dyeing of chrome‐tanned leather were studied. In comparison with the original dyestuff form, the microencapsulated dye showed a deeper shade and a greater depth of through‐dyeing. Exhaustion and colour fastness values were the same.     

How the interactions with humic acids affect the mobility of ionic dyes in hydrogels – Results from diffusion cells

The complexation of charged compounds by humic acids represents the process of exceptional environmental importance. Nevertheless, traditional methods utilized in the complexation studies do not address the way, how these interactions affect the transport of ions in humic-rich environments. To overcome this dilemma, the diffusion cells technique is proposed as an innovative reactivity mapping technique. Using this method, the diffusion of methylene blue was studied in aqueous solutions and in agarose gels with and without the addition of humic acids. Experimental results clearly illustrate the immobilizing effects of humic acids on the transport of methylene blue in gels. The partitioning of methylene blue at the solution-gel interface and the specific interactions between methylene blue and humic acids is discussed on the basis of experimental data. Effective structural parameters of hydrogels (effective porosity, tortuosity factor) were calculated, as well as some standard diffusion and interaction parameters (diffusion and partition coefficients and apparent equilibrium constants).     

Controlled band dispersion for quantitative binding determination and analysis with electrospray ionization‐mass spectrometry

This review discusses recent emerging techniques that have been used to couple flow‐injection analysis (FIA) and electrospray ionization‐mass spectrometry (ESI‐MS) for the quantitation of noncovalent binding interactions. Focus is placed predominantly on two such methods. Diffusion‐based measurements, developed by Konermann and co‐workers, uses controlled‐band dispersion prior to ESI‐MS to determine diffusion constants and binding constants based on the temporal variation of ligand signal measured in the mass spectrum (an indirect technique). Dynamic titration, developed by Schug and co‐workers, is a direct method, where a temporal compositional gradient of a guest molecule is induced in the presence of host in solution to monitor the concentration dependence of complex formation as a function of observed complex ion abundance after ESI‐MS. Further discussion places these techniques in the context of a variety of other direct and indirect ESI‐MS‐based binding determination methods, and highlights advantages, disadvantages, and practical considerations for their proper use to investigate a broad range of macromolecular and small‐molecule interaction systems. © 2009 Wiley Periodicals, Inc., Mass Spec Rev 29:806–829, 2010