CFD as an approach to understand flammable dust 20 L standard test: Effect of the ignition time on the fluid flow

A computational study based on the Euler–Lagrange approach was developed for the characterization of flammable dusts in the 20 L sphere standard test. The aim of the study was to analyze some parameters that might affect the experimental data (e.g., cold turbulence and particle size). The turbulence of a wheat starch cloud was described with the Detached Eddy Simulation model. Both the pressure of the system and the RMS velocity were compared with the flow patterns established with a particle image velocimetry analysis. It was concluded that the rebound nozzle forms a cloud that is composed by clumps. This fact implies dissimilarities between the local concentrations and the nominal value. Finally, a granulometric analysis established that the mean diameter of the particle size distribution (PSD) decreased by 69% during the dispersion. Thus, it is suggested to consider the PSD at the ignition zone rather than the PSD of the sample. © 2017 American Institute of Chemical Engineers AIChE J, 63: 42–54, 2018     

A computational study of the effects of multiphase dynamics in catalytic upgrading of biomass pyrolysis vapor

A recurring challenge among the variety of existing biomass‐to‐biofuel conversion technologies is the need to ensure optimal and homogeneous contact between the various phases involved. The formulation of robust design rules from an empirical standpoint alone remains difficult due to the wide range of granular flow regimes coexisting within a given reactor. In this work, a volume‐filtered Eulerian‐Lagrangian framework is employed that solves chemically reacting flows in the presence of catalytic particles. The simulation strategy is used to quantify the role of the particle clustering on catalytic upgrading of biomass pyrolysis vapor in risers. It is shown that particle clustering can reduce the catalytic conversion rate of biomass pyrolysis vapors by up to about 50%. The simulation results are also compared with an engineering model based on continuously stirred tank reactor (CSTR). A one‐dimensional Reynolds‐averaged transport equation is derived, and the unclosed terms that account for the heterogeneity caused by clusters are evaluated. © 2018 American Institute of Chemical Engineers AIChE J, 64: 3341–3353, 2018     

Indoloazepinone‐Constrained Oligomers as Cell‐Penetrating and Blood–Brain‐Barrier‐Permeating Compounds

Non‐cationic and amphipathic indoloazepinone‐constrained (Aia) oligomers have been synthesized as new vectors for intracellular delivery. The conformational preferences of the [l ‐Aia‐Xxx]_n oligomers were investigated by circular dichroism (CD) and NMR spectroscopy. Whereas Boc‐[l ‐Aia‐Gly]_2,4‐OBn oligomers 12 and 13 and Boc‐[l ‐Aia‐β³‐h‐l ‐Ala]_2,4‐OBn oligomers 16 and 17 were totally or partially disordered, Boc‐[l ‐Aia‐l ‐Ala]₂‐OBn ( 14 ) induced a typical turn stabilized by C₅‐ and C₇‐membered H‐bond pseudo‐cycles and aromatic interactions. Boc‐[l ‐Aia‐l ‐Ala]₄‐OBn ( 15 ) exhibited a unique structure with remarkable T‐shaped π‐stacking interactions involving the indole rings of the four l ‐Aia residues forming a dense hydrophobic cluster. All of the proposed FITC‐6‐Ahx‐[l ‐Aia‐Xxx]₄‐NH₂ oligomers 19 – 23 , with the exception of FITC‐6‐Ahx‐[l ‐Aia‐Gly]₄‐NH₂ ( 18 ), were internalized by MDA‐MB‐231 cells with higher efficiency than the positive references penetratin and Arg₈. In parallel, the compounds of this series were successfully explored in an in vitro blood–brain barrier (BBB) permeation assay. Although no passive diffusion permeability was observed for any of the tested Ac‐[l ‐Aia‐Xxx]₄‐NH₂ oligomers in the PAMPA model, Ac‐[l ‐Aia‐l ‐Arg]₄‐NH₂ ( 26 ) showed significant permeation in the in vitro cell‐based human model of the BBB, suggesting an active mechanism of cell penetration.     

PRESSURIZED ELECTROOSMOTIC DEWATERING IN A FILTER CYCLE

This paper describes the role of pressurized electroosmotic dewatering (EOD) in a filter cycle. A laboratory-scale filter-press was used to filter a highly conductive silica suspension under constant pressure, followed by washing and mechanical precompression of the filter cake and finally by pressurized EOD at constant electric current. The influence of filter cycle parameters (filtration and washing pressure and duration, mechanical pressure, and electric field intensity) on the final cake dryness and energy consumption was studied. Electrodes of different materials, forms, and surfaces were used.

The optimal conditions of each filter cycle operation were found to minimize the energy consumption during EOD and maximize the cake dryness. With mechanical pressure and electric field intensity increasing, the total energy consumption increased, but the specific energy consumption (per kg of expressed water) decreased, and the final filter cake was dryer. The pressurized EOD also used less energy than thermal drying.     

Dielectric features of two grades of bi‐oriented isotactic polypropylene

The dielectric properties of two grades of bi‐oriented isotactic polypropylene were studied with a variety of techniques: breakdown field measurements, dielectric spectroscopy, thermally stimulated depolarization currents (Is), and direct‐current (dc) conduction I values. Standard polypropylene (STPP) and high‐crystallinity polypropylene (HCPP) films were investigated. Measurements were carried out over a wide temperature range (?150°C/+125°C). The breakdown fields in both materials showed a very small difference. On the other hand, the dielectric losses and dc conduction I values were significantly lower in HCPP. Both materials showed a decrease in the dielectric loss versus temperature in the range 20–90°C; this is favorable for application in alternating‐current power capacitors. The analysis of the dc I value allowed us to find evidence of two main conduction mechanisms: (1) below 80°C in both materials, a hopping mechanism due to the motion of electrons occurred in the amorphous phase, and (2) above 80°C, ionic conduction occurred in HCPP, and hopping conduction occurred in STPP. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42224.     

Phosphonic acid‐containing polysulfones as anticorrosive layers

As a part of research work to elaborate polymeric materials for metal corrosion protection, we have developed a new family of phosphonic acid‐containing polymers. The synthesis and the characterization of polysulfones bearing alkyl phosphonate ester side groups are first described. These polymers are synthesized by direct polycondensation of a phosphonate ester‐containing bisphenol by aromatic nucleophilic substitution. The physicochemical properties of the resulting polymers are described. Acidic hydrolysis of phosphonate esters results in the formation of phosphonic acid groups. A series of phosphonic acid‐containing polysulfones is therefore obtained and characterized. A preliminary evaluation of the anticorrosive properties of these polymers is described. In 0.25M Na₂SO₄ solution, the corrosion rate of a polymer‐coated mild steel sample is much lower than of the free metal substrate. These results suggest that phosphonic acid‐containing polysulfones might be interesting as anticorrosive coatings. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41890.     

Copper‐Catalyzed Trifluoromethylation of Aliphatic N‐Arylhydrazones: A Concise Synthetic Entry to 2‐Trifluoromethylindoles from Simple Aldehydes

The copper‐catalyzed C(sp²) H trifluoromethylation of N,N‐disubstituted hydrazones using the Togni reagent is demonstrated to proceed efficiently for aliphatic aldehyde‐derived substrates. The success of the reactions relied on the choice of the N,N‐diphenylamino group as the terminal hydrazone amino group where N,N‐dialkylamino groups were preferred for (hetero)aromatic aldehyde‐derived substrates. In addition, the trifluoromethylated N‐arylhydrazones are shown to be ideal substrates for Fischer indole synthesis allowing a straightforward, three‐step access to 2‐trifluoromethylindole derivatives from simple aldehydes.

     

Dual,Site‐Specific Modification of Antibodies by Using Solid‐Phase Immobilized Microbial Transglutaminase

Microbial transglutaminase (MTG) was stably solid‐phase immobilized on glass microbeads by using a second‐generation dendronized polymer. Immobilized MTG enabled the efficient generation of site‐specifically conjugated proteins, including antibody fragments, as well as whole antibodies through distinct glutamines and, unprecedentedly, also through lysines with various bifunctional substrates with defined stoichiometries. With this method, we generated dual, site‐specifically modified antibodies comprising a fluorescent probe and a metal chelator for radiolabeling—a strategy anticipated to design antibodies for imaging and simultaneous therapy. Furthermore, we provide evidence that immobilized MTG features higher siteselectivity than soluble MTG.     

Influence of catalyst pore network structure on the hysteresis of multiphase reactions

The effects of the catalyst pore network structure on multiphase reactions in catalyst pellets are investigated by using the experimentally validated pore network model proposed in our recent work (AIChE J, 62 , 451, 2016). The simulations display hysteresis loops of the effectiveness factor. The hysteresis loop area becomes significantly larger, when having small volume‐averaged pore radius, wide pore‐size distribution, and low pore connectivity; however, the loop area is insensitive to pellet size, even though it affects the value of the effectiveness factor. The hysteresis loop area is also strongly affected by the spatial distribution of the pore size, in particular for a bimodal pore‐size distribution. The pore network structure directly influences mass transfer, capillary condensation, and pore blocking, and subsequently passes these influences on to the hysteresis loop of the effectiveness factor. Recognizing these effects is essential when designing porous catalysts for multiphase reaction processes. © 2016 American Institute of Chemical Engineers AIChE J, 63: 78–86, 2017     

Long term ageing of polyamide 6 and polyamide 6 reinforced with 30% of glass fibers: physicochemical,mechanical and morphological characterization

Hygrothermal ageing of polyamide 6 (PA6) and polyamide 6 reinforced with 30 wt% of glass fibers (PA6GF30) was undertaken. Immersion was conducted in distilled water at 90 °C and 100% relative humidity (RH) for up to 80 days (1920 h). Results revealed a noteworthy decrease either in glass transition temperature T_g or in tensile properties, at early stage of ageing, for both studied materials. This decline was mainly caused by the plasticization effect of water and the weakness of the interfacial interactions leading as a consequence to a loss of adhesion between fiber and matrix. Afterwards, physical and mechanical properties decrease monotonically testifying the occurrence of exhaustive damages and chemical reaction phenomena. Such phenomena were yellowing and crazing formation which were observed for both materials after 1920 h of conditioning. The former is caused by the thermo- oxidation whereas the latter results from the release of internal stresses induced by water sorption. These chemical reactions were monitored by infrared spectroscopy. Thus, an increase of the free N-H stretch and the carbonyl groups (imides) was noted. Accordingly, it seems that long term immersion in distilled water at high temperature induces chemical reactions which indicate the severity of the damage.