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The durability of polymer electrolyte membrane fuel cells (PEMFC) is governed by a nonlinear coupling between system demand, component behavior, and physicochemical degradation mechanisms, occurring on timescales from the sub-second to the thousand-hour. We present a simulation methodology for assessing performance and durability of a PEMFC under automotive driving cycles. The simulation framework consists of (a) a fuel cell car model converting velocity to cell power demand, (b) a 2D multiphysics cell model, (c) a flexible degradation library template that can accommodate physically-based component-wise degradation mechanisms, and (d) a time-upscaling methodology for extrapolating degradation during a representative load cycle to multiple cycles. The computational framework describes three different time scales, (1) sub-second timescale of electrochemistry, (2) minute-timescale of driving cycles, and (3) thousand-hour-timescale of cell ageing. We demonstrate an exemplary PEMFC durability analysis due to membrane degradation under a highly transient loading of the New European Driving Cycle (NEDC).
The formation and analysis of ten microporous triazolyl isophthalate based MOFs, including nine isomorphous and one isostructural compound is presented. The compounds 1 M – 3 M with the general formula [ M ( R 1 - R 2 - trz - ia ) ] ∞ 3 ·x H 2 O (M 2+ = Co 2+ , Cu 2+ , Zn 2+ , Cd 2+ ; R 1 = H, Me; R 2 = 2py, 2pym, prz (2py = 2-pyridinyle; 2pym = 2-pyrimidinyle; prz = pyrazinyle)) crystallize with rtl topology. They are available as single crystals and also easily accessible in a multi-gram scale via refluxing the metal salts and the protonated ligands in a solvent. Their isomorphous structures facilitate the synthesis of heteronuclear MOFs; in case of 2 M , Co 2+ ions could be gradually substituted by Cu 2+ ions. The Co 2+ :Cu 2+ ratios were determined by ICP-OES spectroscopy, the distribution of Co 2+ and Cu 2+ in the crystalline samples are investigated by SEM-EDX analysis leading to the conclusions that Cu 2+ is more favorably incorporated into the framework compared to Co 2+ and, moreover, that the distribution of the two metal ions between the crystals and within the crystals is inhomogeneous if the crystals were grown slowly. The various compositions of the heteronuclear materials lead to different colors and the sorption properties for CO 2 and N 2 are dependent on the integrated metal ions.
Adsorption of N2 and CO2 on Activated Carbon, AlO(OH) Nanoparticles, and AlO(OH) Hollow Spheres
(2015)
Adsorption behaviors of nitrogen and CO2 on Norit R1 Extra and AlO(OH) nanoparticles and hollow spheres were measured under different temperature and pressure conditions using a magnetic suspension balance. Independent from the substrate investigated, all isotherms increase at lower pressure, reach a maximum, and then decrease with increasing pressure. In addition, selected experimental data were correlated with different model approaches and compared with reliable literature data. In case of CO2 on AlO(OH), capillary condensation was observed at two defined temperatures. The results suggest that the conversion of the liquid into a supercritical adsorbate phase does not take place suddenly.
Rubber materials are characterized by a variety of inelasticities such as softening behavior, hysteresis loops and permanent set. In order to calculate the inelastic material behavior, constitutive models, that describe rubber as a homogeneous continuum, have to make use of damping or friction elements.
On the nanoscale, there is no need to adopt such rheological models. Inelastic material behavior can be explained and simulated by a continuous rearrangement of bonds, in particular, the van der Waals interactions, and by the polymer chains transitioning between cis and trans equilibrium torsion angles. The discrete molecular dynamics simulations presented in this paper are performed in an explicit FEM environment using nonlinear but elastic force field potentials. From a structural mechanics point of view, topological changes of the polymer network can be interpreted as a sequence of local material instability problems due to negative tangential bond stiffnesses.
In order to obtain representative results within reasonable computational time, the model is optimized with respect to the number of atoms and the loading velocity. It is shown that by increasing the model size, the stress–strain curves become independent of both the atoms initial state and the strain amplitudes.
An Extraction Method for 17α-Ethinylestradiol from Water using a new kind of monolithic Stir-bar
(2015)
In the present study, in vitro toxicity as well as biopersistence and photopersistence of four artificial sweeteners (acesulfame, cyclamate, saccharine, and sucralose) and five antibiotics (levofloxacin, lincomycin, linezolid, marbofloxacin, and sarafloxacin) and of their phototransformation products (PTPs) were investigated. Furthermore, antibiotic activity was evaluated after UV irradiation and after exposure to inocula of a sewage treatment plant. The study reveals that most of the tested compounds and their PTPs were neither readily nor inherently biodegradable in the Organisation for Economic Co-operation and Development (OECD)-biodegradability tests. The study further demonstrates that PTPs are formed upon irradiation with an Hg lamp (UV light) and, to a lesser extent, upon irradiation with a Xe lamp (mimics sunlight). Comparing the nonirradiated with the corresponding irradiated solutions, a higher chronic toxicity against bacteria was found for the irradiated solutions of linezolid. Neither cytotoxicity nor genotoxicity was found in human cervical (HeLa) and liver (Hep-G2) cells for any of the investigated compounds or their PTPs. Antimicrobial activity of the tested fluoroquinolones was reduced after UV treatment, but it was not reduced after a 28-day exposure to inocula of a sewage treatment plant. This comparative study shows that PTPs can be formed as a result of UV treatment. The study further demonstrated that UV irradiation can be effective in reducing the antimicrobial activity of antibiotics, and consequently may help to reduce antimicrobial resistance in wastewaters. Nevertheless, the study also highlights that some PTPs may exhibit a higher ecotoxicity than the respective parent compounds. Consequently, UV treatment does not transform all micropollutants into harmless compounds and may not be a large-scale effluent treatment option.