Modeling the short-circuit current density of polymer solar cells based on P3HT:PCBM blend

We have investigated the short-circuit current density of organic solar cells based on poly (3-hexylthiophene)(P3HT)/6,6-phenyl C61-butyric acid methyl ester (PCBM) blend. In order to model charge collection efficiencies with respect to short circuit density in such blends, a full optical modeling of the cell is performed. From the distribution of the electromagnetic field, we compute the rate of exciton generation. This exciton generation rate is used as input in the transport equations of holes and electrons. Charge densities at steady state are obtained as solutions are used for computing short-circuit current densities generated in the cell. The dependence of short-circuit current densities versus the thickness of the blend is analyzed and compared with our experimental data and with data extracted from the literature.     

Silica, carbon and boron nitride monoliths with hierarchical porosity prepared by spark plasma sintering process

Silica SBA-15, carbon CMK-3, boron nitride (BN), the latter synthesized from the first two compounds as templates, are mesoporous materials in the form of powders. They have a high specific surface area and an important mesoporous volume. The porosity is organized with the hexagonal symmetric space group p6mm. For selected applications, it could be interesting to preserve these characteristics with materials in a well-defined shape at a macroscopic scale (few millimeters to centimeter). Spark plasma sintering (SPS) is a well-known technique which allows to prepare monoliths with relatively mild conditions. The SPS technique has been used on these mesoporous powders without charge or with a uniaxial charge and at temperatures of 600 °C, 800 °C for silica, 1100 °C, 1300 °C for carbon and 1600 °C, 1700 °C for boron nitride during 1–5 min. The nitrogen adsorption/desorption isotherms reveal that the obtained monoliths present high specific surface area (300–500 m²/g) and important mesoporous volume. The coexistence of interconnected mesoporosity and macroporosity (with volume’s close value) was observed by SEM and TEM, while the XRD and TEM characterization show that the mesoporosity organization is partially preserved.     

Tribological and Corrosion Behavior of Vacuum Plasma Sprayed Ti-Zr-Ni Quasicrystalline Coatings

This investigation deals with a study of the friction, wear, and corrosion behavior of vacuum plasma sprayed quasicrystalline (QC) Ti_41.5Zr_41.5Ni₁₇ coatings. During pin on disc experiments, a change in the mode of wear has been found to occur with corresponding changes in normal load and sliding velocity. The low thermal conductivity of quasicrystals and its brittleness play a vital role in determining the friction and wear behavior of such materials. When these coatings are subjected to rubbing for a longer period of time, wear occurs by subsurface crack propagation, and subsequent delamination within the coated layer. By comparing the QC to its polycrystalline counterpart during potentiodynamic measurements according to ASTM G 31, higher currents were found over the whole range of potentials for QC when immersed in 1 M HCl solution. This article is an invited paper selected from presentations at the 2007 International Thermal Spray Conference and has been expanded from the original presentation. It is simultaneously published in Global Coating Solutions, Proceedings of the 2007 International Thermal Spray Conference, Beijing, China, May 14-16, 2007, Basil R. Marple, Margaret M. Hyland, Yuk-Chiu Lau, Chang-Jiu Li, Rogerio S. Lima, and Ghislain Montavon, Ed., ASM International, Materials Park, OH, 2007.     

Designing polylactide/clay nanocomposites for textile applications: Effect of processing conditions,spinning, and characterization

An experimental study was carried out to design polylactide (PLA)-clay nanocomposites for developing fibers. PLA and 1–10 wt % of a selected organomodified bentonite (Bentone® 104-B104) were melt mixed to examine the effect of processing conditions (temperature, shear, residence time) on the morphology of performed polymer nanocomposites (PNC). Because of a good compatibility with PLA matrix, the dispersion of B104 occurred under different conditions without difficulty, and a similar morphology was obtained. The results obtained showed that at low temperature of mixing, the shear stress exerted on polymer has a key role on the extent of intercalation and delamination. Upscale experiments were further performed using optimized conditions and 4 wt % B104 was added to PLA matrix by melt blending to produce PNC for spinning. Then, the recovered PNC were melt spun to produce multifilaments yarns, and it was demonstrated that surprisingly, it is not necessary to use a plasticizer to spin a blend with 4 wt % B104. The properties of the yarns have been studied in terms of clay dispersion as well as thermal, mechanical, and shrinkage properties. B104 could be added up to 4 wt % into PLA without detrimentally sacrificing the tensile strength of melt-spun filaments, especially at high draw ratio. Interestingly, the PNC-based multifilaments were knitted and the flammability studied using cone calorimeter at 35 kW/m². A strong decrease, up to 46%, of the heat release rate was measured. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

Influence of Botrytis cinerea infection on Champagne wine proteins (characterized by two-dimensional electrophoresis/immunodetection) and wine foaming properties

Proteins are implicated in the foam stabilization of Champagne wines. They may have a grape, yeast, bacteria or fungal origin. Botrytis cinerea is a widespread fungal pathogen, which is the causal agent for gray mold. The first part of this work showed the deleterious effect of the presence of this fungus on the foaming properties of a champenois base wine. Foamability and foam stability were reduced, respectively, by 47.7% and 33.3% in the botrytized wine, as compared to the healthy wine. In a second part, SDS–PAGE and two-dimensional electrophoresis (2-DE), coupled with immunodetection, were used to study (thoroughly) the protein patterns of both wines. With 2-DE and silver-staining detection, the disappearance of numerous spots, located in an acidic pH range, was observed. Indeed, the number of spots detected was about two times more abundant in the healthy wine than in the botrytized one, suggesting that a proteolysis occurred. On the other hand, the presence of new proteins, likely fungal proteins, proteins secreted by the plant as a response to B. cinerea infection, or even protein fragments resulting from partial proteolysis, was detected in the botrytized wine. All these modifications of the wine protein content were undoubtedly due to the presence of B. cinerea and this might be a reason for the loss of foaming properties of Champagne base wines, though no relationship between these two phenomena can be established from the results obtained.     

Three-way-catalyst induced benzene formation: A precursor study

The implementation of the three-way-catalyst technology was the major step for pollutant abatement of gasoline vehicles. There are, however, situations, where the engine has to be operated at sub-stoichiometric combustion. At such fuel-rich conditions, an intense formation of benzene was observed over a Pd/Rh-based three-way-catalyst (TWC), when operating the catalyst in a critical temperature window of 600–730 °C. At least four different reaction pathways can lead to benzene formation on the catalyst, viz. (i) dealkylation of alkylbenzenes under steam reforming conditions, (ii) hydrodealkylation, (iii) aromatization of cyclohexanes, and (iv) cyclotrimerization of ethyne. Based on the engine-out exhaust composition only routes (i) and (ii) seem to be reasonable. The pre-catalyst application of 12 different alkylbenzenes indeed revealed that benzene formation is possible from all these precursors. At most up to 60% of the spiked precursors were converted to benzene. For meta- and para-substituted alkylbenzenes, a multi-step mechanism is proposed because partial dealkylation products such as toluene were formed as well. But a different, one-step mechanism is assumed for ortho-substituted alkylbenzenes, since no intermediates could be detected. No C–C-bond cleavage was observed within alkyl side chains. It is concluded that dealkylation reactions of alkylbenzenes are the major pathways leading to benzene formation in the TWC. Because fuel-rich combustion conditions have to be applied for the regeneration of deNO_X traps or certain particulate traps as well, this chemistry might also be of relevance for these exhaust gas treatment systems.     

The high-speed rail challenge for big intermediate cities: A national, regional and local perspective

Previous research on high-speed rail (HSR) and urban development has underlined the need for a multilevel analysis and has differentiated between HSR’s impact on small cities and on big intermediate cities. This paper focuses on big intermediate cities along HSR lines, develops a multilevel analysis at national, regional and local levels and examines HSR’s selective capacity to transform time distances and accessibility.The paper draws together data which make clear how HSR opens up new opportunities for these big intermediate cities. Specifically, it analyses three particular cases: Córdoba and Zaragoza in Spain and Lille in France. This case-study approach, taking account of specific circumstances and contexts, facilitates the understanding of the similarities and differences in HSR’s impact on urban and territorial development.     

Investigation of steel corrosion in MX80 bentonite at 120°C

Corrosion experiments were performed on two metallic substrates, a ferritic–pearlitic steel (P285NH) and a ferritic one (Armco), in silicate environment during 30 days at 120°C. Corrosion products were characterized in terms of morphology (scanning electron microscope and transmission electron microscopy), composition (energydispersive X-ray spectroscopy) and structure (µ-Raman, selected area electron diffraction, X-ray absorption near edge structure). Results show a nanometric inner layer made of compact and adherent nanocrystallized magnetite with, locally a thickness up to several micrometers due to the metal microstructure. An outer layer of Fe-rich phyllosilicate, smectite and serpentine, more porous than the inner one and poorly adherent is observed around both the samples.     

Corrosion of low alloy steel in stagnant artificial or stirred natural seawater: The role of Al and Cr

Carbon steel and low alloy (containing Al and Cr) steel coupons were immersed for 6–7 months in stagnant artificial seawater or in natural marine site. The corrosion processes were studied via the combination of electrochemical techniques and the analysis of corrosion product layers by µ‐Raman spectroscopy and X‐ray diffraction. In natural seawater, the low alloy steel showed better resistance to corrosion and the best results were obtained when the mill scale was removed from the steel surface. This shows that improved corrosion resistance is due to a protective layer that forms spontaneously in the environment. In stagnant artificial seawater, the behavior of low alloy steel coupons (without mill scale) was compared with that of carbon steel coupons. The polarization resistance of the carbon steel coupons remained approximately constant over time. The corrosion product layer proved to be mainly composed of magnetite, an electronic conductor that does not hinder oxygen reduction. In contrast, the polarization resistance of the low alloy steel coupons increased with time, as the growing corrosion product layer, enriched with insulating FeOOH compounds, hindered oxygen diffusion.     

Diffraction peaks restoration and extraction in energy dispersive X-ray diffraction

This paper proposes a method to restore energy dispersive X-ray diffraction (EDXRD) spectra and to extract diffraction peaks. It follows a maximum a posteriori approach using a physical model of the formation of the EDXRD data to remove blur caused by both the detector and the coarse angular resolution of X-ray tube based EDXRD setup. It separates peaks due to the diffraction by crystalline material from a continuous background. Tested on real data (graphite and NaCl), our algorithm achieved to detect diffraction peaks with a good precision (about 1 keV depending on the peak position) even at high energy where very few photons were measured.