91 research outputs found
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Mechanical Properties of Soot Particles: The Impact of Crosslinked Polycyclic Aromatic Hydrocarbons
In this paper, we estimate the degree of crosslinking within soot particles making use of reactive molecular dynamics simulations of mechanical properties of crosslinked polycyclic aromatic hydrocarbons (PAH). Representative systems of PAH (pyrene, coronene, ovalene and circumpyrene) with a density similar to soot and with varying degrees of crosslinking were built. Uniaxial tensile test simulations were carried out on the systems and the yield stress of each sample was calculated. The hardness was estimated from the yield stress using an empirical conversion constant and the obtained values were compared with nanoindentation experiments of soot particles. The results show that mature ethylene and diesel soot particles are expected to present a degree of crosslinking between 2.1–3.0 and 3.0–3.5, respectively, to have a value comparable to the hardness found experimentally. Finally, an MD simulation of nanoindentation of a particle of crosslinked coronene molecules provided an alternative means to compute the empirical constant used to convert the yield stress in hardness. These results reveal the importance of crosslinking reactions during soot maturation that give rise to a structure in which the majority of aromatics are aliphatically linked in a 3D network
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Experimental and numerical study of the evolution of soot primary particles in a diffusion flame
© 2018 The Combustion Institute. The evolution of primary soot particles is studied experimentally and numerically along the centreline of a co-flow laminar diffusion flame. Soot samples from a flame fueled with C2H4are taken thermophoretically at different heights above the burner (HAB), their size and nano-structure are analysed through TEM. The experimental results suggest that after inception, the nascent soot particles coagulate and coalesce to form larger primary particles (~5 to 15 nm). As these primary particles travel along the centreline, they grow mainly due coagulation and condensation and a layer of amorphous hydrocarbons (revealed by HRTEM) forms on their surface. This amorphous layer appears to promote the aggregation of primary particles to form fractal structures. Fast carbonisation of the amorphous layer leads to a graphitic-like shell around the particles. Further graphitization compacts the primary particles, resulting in a decrease of their size. Towards the flame tip the primary particles decrease in size due to rapid oxidation. A detailed population balance model is used to investigate the mechanisms that are important for prediction of primary particle size distributions. Suggestions are made regarding future model development efforts. Simulation results indicate that the primary particle size distributions are very sensitive to the parameterization of the coalescence and particle rounding processes. In contrast, the average primary particle size is less sensitive to these parameters. This demonstrates that achieving good predictions for the average primary particle size does not necessarily mean that the distribution has been accurately predicted
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Evolution of the soot particle size distribution along the centreline of an n-heptane/toluene co-flow diffusion flame
A newly developed experimental set-up for studying liquid hydrocarbon combustion in the well-established Yale burner was used to investigate the correlation between fuel composition and its sooting propensity. Soot particle size distributions (PSDs) and flame temperatures along the centreline of an n-heptane/toluene co-flow diffusion flame are reported. The results are compared to soot temperature and volume fraction profiles obtained using colour ratio pyrometry. The addition of toluene (0, 5, 10, and 15 mol%) to heptane moved soot inception to lower heights above the burner (HAB). The earlier inception extended the soot growth zone in the toluene-laden flames, leading to larger soot primary and agglomerate particles. Toluene addition had little influence on the maximum soot number density, indicating that the observed increase in soot volume fraction can mainly be attributed to the increase in particle size. The reported PSDs inside a vapour-fed diffusion flame are the first of their kind and provide a comprehensive dataset for future studies of combustion chemistry and soot particle models
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Internal structure of soot particles in a diffusion flame
The evolution of the internal structure of soot particles was studied in a coflow diffusion flame. Soot particles from the flame were imaged using high resolution transmission electron microscopy. An algorithm to quantify the nano-structure of the particles was extended to study the radial distribution of fringes within the particles. The approximate size of the molecules in the particles was calculated from the fringe lengths, assuming planar pericondensed PAHs. The molecules are slightly larger (~16 rings) and more stacked at the core than at the surface (~12 rings) of the youngest particles sampled, suggesting that the particles could be formed via the stabilisation of a nuclei of larger PAHs and condensation of smaller PAHs on their surface. In the lower-temperature region of the flame the molecules grow mainly at the surface of the particles, whereas the molecules in the core of the particles become less stacked and slightly smaller, indicating some degree of nano-structural mobility. In the higher-temperature region of the flame, a graphitisation process takes place, with the development of a shell of longer (~20 rings), flatter and more compact molecules, and an immobilised amorphous core. At the tip of the flame the particles are oxidised, mainly through surface oxidation
Malacoplakia : case report in tongue and review of the literature
Malakoplakia is a relatively uncommon chronic inflammatory reaction of unknown etiology. It usually affects the genitourinary tract but may rarely involve the tongue. There are many theories that explain this reaction but it seems to be the answer to an infectious agent in a patient with immunologic deficiency. Microscopically, malakoplakia is characterized by the presence of foamy histiocytes with distinctive basophilic inclusions, which are known as MichaelisGutmann bodies due to a partially ingested bacteria and their posterior calcification. There are many alternatives to treat this entity. We report the only case diagnosed in the tongue, in a 15 years-old male in the Maxillofacial Surgery and Stomatology Service of the Hospital San Vicente de Paúl in Medellín, Antioquia, Colombia
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A virtual laboratory to support chemical reaction engineering courses using real-life problems and industrial software
A virtual laboratory has been developed to support chemical reaction engineering courses. Real-life engineering challenges that are difficult to address in a university laboratory give the opportunity to illustrate basic concepts of chemical reaction engineering such as the relationship between temperature and reaction rate, space time and conversion, and inert concentration and selectivity. Six virtual experiments covering topics from petroleum refining, diesel combustion, nanoparticle growth, and hydrogen combustion form the basis of the virtual laboratory. The characteristics embedded in the experiments include the use of economic analysis to give closure to open-ended problems, the solution of engineering problems with high environmental relevance and finally, the ability to solve complex engineering problems related to state-of-the-art technologies, for example the synthesis of functionalized nanoparticles. Trial tests with senior students, with continual feedback and freedom in terms of the delivery date were used to evaluate and improve the experiments. Subsequently, a classroom test with 45 undergraduate students with a fixed deadline was performed. The challenges and opportunities to use virtual experiments supported by industrial software to teach real-life problems to undergraduate students have been critically assessed
The role of clathrin in post-golgi trafficking in toxoplasma gondii
Apicomplexan parasites are single eukaryotic cells with a highly polarised secretory system that contains unique secretory organelles (micronemes and rhoptries) that are required for host cell invasion. In contrast, the role of the endosomal system is poorly understood in these parasites. With many typical endocytic factors missing, we speculated that endocytosis depends exclusively on a clathrin-mediated mechanism. Intriguingly, in Toxoplasma gondii we were only able to observe the endogenous clathrin heavy chain 1 (CHC1) at the Golgi, but not at the parasite surface. For the functional characterisation of Toxoplasma gondii CHC1 we generated parasite mutants conditionally expressing the dominant negative clathrin Hub fragment and demonstrate that CHC1 is essential for vesicle formation at the trans-Golgi network. Consequently, the functional ablation of CHC1 results in Golgi aberrations, a block in the biogenesis of the unique secretory microneme and rhoptry organelles, and of the pellicle. However, we found no morphological evidence for clathrin mediating endocytosis in these parasites and speculate that they remodelled their vesicular trafficking system to adapt to an intracellular lifestyle
Habitat selection, facilitation, and biotic settlement cues affect distribution and performance of coral recruits in French Polynesia
Habitat selection can determine the distribution and performance of individuals if the precision with which sites are chosen corresponds with exposure to risks or resources. Contrastingly, facilitation can allow persistence of individuals arriving by chance and potentially maladapted to local abiotic conditions. For marine organisms, selection of a permanent attachment site at the end of their larval stage or the presence of a facilitator can be a critical determinant of recruitment success. In coral reef ecosystems, it is well known that settling planula larvae of reef-building corals use coarse environmental cues (i.e., light) for habitat selection. Although laboratory studies suggest that larvae can also use precise biotic cues produced by crustose coralline algae (CCA) to select attachment sites, the ecological consequences of biotic cues for corals are poorly understood in situ. In a field experiment exploring the relative importance of biotic cues and variability in habitat quality to recruitment of hard corals, pocilloporid and acroporid corals recruited more frequently to one species of CCA, Titanoderma prototypum, and significantly less so to other species of CCA; these results are consistent with laboratory assays from other studies. The provision of the biotic cue accurately predicted coral recruitment rates across habitats of varying quality. At the scale of CCA, corals attached to the “preferred” CCA experienced increased survivorship while recruits attached elsewhere had lower colony growth and survivorship. For reef-building corals, the behavioral selection of habitat using chemical cues both reduces the risk of incidental mortality and indicates the presence of a facilitator
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