2,608 research outputs found

    Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel

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    In order to investigate the initiation mechanisms and kinetics associated with the pyrolysis of JP-10 (exo-tricyclo[5.2.1.0^2,6]decane), a single-component hydrocarbon jet fuel, we carried out molecular dynamics (MD) simulations employing the ReaxFF reactive force field. We found that the primary decomposition reactions involve either (1) dissociation of ethylene from JP-10, resulting in the formation of a C8 hydrocarbon intermediate, or (2) the production of two C5 hydrocarbons. ReaxFF MD leads to good agreement with experiment for the product distribution as a function of temperature. On the basis of the rate of consumption of JP-10, we calculate an activation energy of 58.4 kcal/mol for the thermal decomposition of this material, which is consistent with a strain-facilitated C−C bond cleavage mechanism in JP-10. This compares well with the experimental value of 62.4 kcal/mol. In addition, we carried out ReaxFF MD studies of the reactive events responsible for oxidation of JP-10. Here we found overall agreement between the thermodynamic energies obtained from ReaxFF and quantum-mechanical calculations, illustrating the usefulness of ReaxFF for studying oxidation of hydrocarbons. The agreement of these results with available experimental observations demonstrates that ReaxFF can provide useful insights into the complicated thermal decomposition and oxidation processes of important hydrocarbon fuels

    Pyrolysis of brominated feedstock plastic in a fluidised bed reactor

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    Fire retarded high impact polystyrene has been pyrolysed using a fluidised bed reactor with a sand bed. The yield and composition of the products have been investigated in relation to fluidised bed temperature. The bromine distribution between the products and a detailed analysis of the oils using GC-FID/ECD, GC-MS, FT-ir, and size exclusion chromatography has been carried out. It was found that the majority of the bromine transfers to the pyrolysis oil and the antimony was detected in both the oil and the char. Oil made up over 89.9% of the pyrolysis products. Over 30% of the oil consisted of benzene, toluene, ethylbenzene, styrene and cumene. The pyrolysis gases were mainly hydrocarbons in the C1-C4 range but some HBr and Br2 was detected

    Nanoparticle synthesis using flame spray pyrolysis for catalysis

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    Separation and recovery of materials from scrap printed circuit boards

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    Printed circuit boards from waste computers, televisions, and mobile phones were pyrolysed in a fixed bed reactor with the aim of separating and recovering the organic and metallic materials. A selection of printed circuit boards from each of the three waste classes was pyrolysed at 800°C and the pyrolysis products were analysed using GC-FID, GC-TCD, GC-MS, GC-ECD, ICP-MS, and SEM-EDX. The pyrolysis oils contained high concentrations of phenol, 4-(1-methylethyl)phenol, and p-hydroxyphenol, as well as bisphenol A, tetrabromobisphenol A, methyl phenols, and bromophenols. The pyrolysis oils also contained significant concentrations of organo – phosphate compounds and a number of tetrabromobisphenol A pyrolysis products were also identified. The pyrolysis residues were very fragile and the organic, glass fibre, and metallic fractions could easily be separated and the electrical components could easily be removed from the remains of the printed circuit boards. The ash in the residue mainly consisted of copper, calcium, iron, nickel, zinc, and aluminium, as well as lower concentrations of valuable metals such as gallium, bismuth, silver, and gold, silver was present in particularly high concentrations. Many other metals were also identified in the ash by ICP-MS and SEM EDX. The pyrolysis gases mainly consisted of CO2 and CO but all of the C1 – C4 alkanes and alkenes were present, as were some inorganic halogens

    Removal of organobromine compounds from the pyrolysis oils of flame retarded plastics using zeolite catalysts

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    Two flame retarded plastics have been pyrolysed in the presence of two Zeolite catalysts to remove the organobromine compounds from the derived pyrolysis oil. The flame retarded plastics were, acrylonitrile – butadiene – styrene (ABS) that was flame retarded with tetrabromobisphenol A and high-impact-polystyrene (HIPS) that was flame retarded with decabromodiphenyl ether. The two catalysts investigated were Zeolite ZSM-5 and Y-Zeolite. Pyrolysis was carried out in a fixed bed reactor at a final pyrolysis temperature of 440 ºC. The pyrolysis gases were passed immediately to a fixed bed of the catalyst bed. It was found that the presence of Zeolite catalysts increased the amount of gaseous hydrocarbons produced during pyrolysis but decreased the amount of pyrolysis oil produced. In addition, significant quantities of coke were formed on the surface of the catalysts during pyrolysis. The Zeolite catalysts were found to reduce the formation of some valuable pyrolysis products such as styrene and cumene, but other products such as naphthalene were formed instead. The Zeolite catalysts, especially Y-Zeolite, were found to be very effective at removing volatile organobromine compounds. However, they were less effective at removing antimony bromide from the volatile pyrolysis products, although some antimony bromide was found on the surfaces of the spent catalysts

    Analysis of products from the pyrolysis of plastics recovered from the commercial scale recycling of waste electrical and electronic equipment

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    Three plastic fractions from a commercial waste electrical and electronic equipment (WEEE) processing plant were collected and investigated for the possibility of recycling them by batch pyrolysis. The first plastic was from equipment containing cathode ray tubes (CRTs), the second plastic was from refrigeration equipment, and the third plastic was from mixed WEEE. Initially, the decomposition of each of the plastics was investigated using a TGA linked to a FT-ir spectrometer which showed that the CRT plastic decomposed to form aliphatic and aromatic compounds, the refrigerator plastic decomposed to form aldehydes, CO2, aromatic, and aliphatic compounds, and the mixed WEEE plastic decomposed to form aromatic and aliphatic compounds, CO2, and CO. Each plastic mixture was also pyrolysed in a batch reactor to determine the halogen and metal content of the pyrolysis products, additionally, characterisation of the pyrolysis oils was carried out by GC-MS and the pyrolysis gases by GC-FID and GC-TCD. It was found that the halogen content of the oils was relatively low but the halogen and metal content of the chars was high. The pyrolysis oils were found to contain valuable chemical products and the pyrolysis gases were mainly halogen free, making them suitable as a fuel

    The Supercritical Pyrolysis of 1-Octene

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    In the pre-combustion environment, fuels for future high-speed aircrafts are predicted to take on increasing heat loads in their role as the primary coolant in order to remove excess heat from engine subsystems. While acting in this role, these fuels are expected to experience temperatures and pressures up to 700 °C and 130 atm, conditions which are supercritical for jet fuels and most hydrocarbons. Such extreme conditions can cause fuel decomposition and subsequent pyrolytic reactions, which can lead to the formation of polycyclic aromatic hydrocarbons (PAH). PAH are precursors to solids deposits that clog fuel-delivery lines, causing reduced engine performance and eventual failure. Therefore, it is vital to understand the reaction pathways which govern PAH formation and growth in the supercritical fuel pyrolysis environment. Previous work has shown that n-alkanes, a major class of jet fuel components, are prone to solids formation, and 1-alkenes are abundant in the supercritical n-alkane pyrolysis environment. In order to better understand the role 1-alkenes have in PAH formation and growth, 1-octene (critical temperature, 294 °C; critical pressure, 24.6 atm), a representative product of supercritical n-alkane pyrolysis, has been pyrolyzed in an isothermal, isobaric reactor at 94.6 atm, 133 sec, and five temperatures between 450 to 535 °C. Analyses of 18 C1-C4 aliphatic and one-ring aromatic gas-phase products and 54 C5-C14 aliphatic and one- and two-ring aromatic liquid-phase products were performed by gas chromatography coupled to flame-ionization and mass spectrometry. A two-dimensional high-pressure liquid chromatographic technique was employed to separate the PAH products. Identification and quantification of 116 PAH products of three to nine rings was performed by diode-array ultraviolet-visible and mass spectrometry, an isomer-specific technique for PAH analysis. The facile scission of the weak allylic C–C bond of 1-octene translates to its rapid conversion. Results indicate that the interactions of alkenes with resonantly stabilized allyl, methylallyl, arylmethyl, and phenalenyl-type radicals are important to the growth and formation of high-ring number aromatics. PAH formation and growth are significantly enhanced in the supercritical 1-octene pyrolysis environment at 535 °C compared to the supercritical n-decane pyrolysis environment at 530 °C and 540 °C

    The co-pyrolysis of flame retarded high impact polystyrene and polyolefins

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    The co-pyrolysis of brominated high impact polystyrene (Br-HIPS) with polyolefins using a fixed bed reactor has been investigated, in particular, the effect that different types brominated aryl compounds and antimony trioxide have on the pyrolysis products. The pyrolysis products were analysed using FT-IR, GC-FID, GC-MS, and GC-ECD. Liquid chromatography was used to separate the oils/waxes so that a more detailed analysis of the aliphatic, aromatic, and polar fractions could be carried out. It was found that interaction occurs between Br-HIPS and polyolefins during co-pyrolysis and that the presence of antimony trioxide influences the pyrolysis mass balance. Analysis of the Br-HIPS + polyolefin co-pyrolysis products showed that the presence of polyolefins led to an increase in the concentration of alkyl and vinyl mono-substituted benzene rings in the pyrolysis oil/wax resulting from Br-HIPS pyrolysis. The presence of Br-HIPS also had an impact on the oil/wax products of polyolefin pyrolysis, particularly on the polyethylene oil/wax composition which converted from being a mixture of 1-alkenes and n-alkanes to mostly n-alkanes. Antimony trioxide had very little impact on the polyolefin wax/oil composition but it did suppress the formation of styrene and alpha-methyl styrene and increase the formation of ethylbenzene and cumene during the pyrolysis of the Br-HIPS

    Mechanism Comparison for PAH Formation in Pyrolysis and Laminar Premixed Flames

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    Polycyclic aromatic hydrocarbons (PAHs) are known precursors of harmful carbonaceous particles. Accurate predictions of soot formations strongly rely on accurate predictions of PAHs chemistry. This work addresses the detailed kinetic modeling of PAH formation using two models: CRECK [8] and ITV [12], aiming to compare the model predictions with experimental data in olefin pyrolysis and laminar premixed flames. The two kinetic mechanisms are validated and compared highlighting similarities and differences in PAHs formation pathways. The validation highlights the critical role of resonance-stabilized radicals leading to the PAH formation
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