Implementation of the NCN pathway of prompt-NO formation in the detailed reaction mechanism

https://spiral.imperial.ac.uk/bitstream/10044/1/42571/2/PECS_revision_manuscript.pdf

Population balance modelling of polydispersed particles in reactive flows

Large Eddy Simulations of forced ignition of a non-premixed bluff-body methane flame with Conditional Moment Closure

Industrial and Engineering Chemistry - "Dyestuff Industry"

The generation of nanostructured particles in high-temperature flames is important both for the control of emissions from combustion devices and for the synthesis of high-value chemicals for a variety of applications. The physiochemical processes that lead to the production of fine particles in turbulent flames are highly sensitive to the flow physics and, in particular, the history of thermochemical compositions and turbulent features they encounter. Consequently, it is possible to change the characteristic size, structure, composition, and yield of the fine particles by altering the flow configuration. This review describes the complex multiscale interactions among turbulent fluid flow, gas-phase chemical reactions, and solid-phase particle evolution. The focus is on modeling the generation of soot particles, an unwanted pollutant from automobile and aircraft engines, as well as metal oxides, a class of high-value chemicals sought for specialized applications, including emissions control. Issues arising due to the numerical methods used to approximate the particle number density function, the modeling of turbulence-chemistry interactions, and model validation are also discussed.

Modeling of Fine-Particle Formation in Turbulent Flames

Conditional moment closure modelling of soot formation in turbulent, non-premixed methane and propane flames

Lanthanum and carbon co-doped sodium tantalum oxide, La-C-NaTaO3, are prepared by incorporating lanthanum and carbon into NaTaO3 cluster via a sol-gel technique using a sucrose as carbon source. The La-C-NaTaO3 prepared sample is calcined at a temperature of 700 °C. Effects of carbon contents on the crystal, shape, optical absorption response and activity of hydrogen production of the sample are evaluated. The crystal of La-C-NaTaO3 is characterized by XRD analysis. The results show that the XRD pattern of the La C co-doped NaTaO3 is found to be crystalline phase with monoclinic structure. From the analysis of SEM images, the particle size of the prepared powder is about 40-200 nm. The optical response is examined by diffuse reflectance spectra (DRS). It is depicted that the absorption edge of La-C-NaTaO3 crystalline shift to higher wavelength. The extension to the visible light absorption edge became drastic with increasing carbon content in the sample. The photocatalytic activity of La-C-NaTaO3 is examined from water-methanol aqueous solution under visible light irradiation. It is found that the photocatalytic activity of La-C-NaTaO3 depend strongly on the doping content of C, and sample La-C-NaTaO3 shows the highest photocatalytic activity for the water reduction. The optimum amounts of carbon to maximize the hydrogen evolution rate is to be 2.5 mol %. The La-C-NaTaO3 catalyst has high activity of H2 evolution of 40.0 [μmol h-1] and long time stability under visible-light irradiation, suggesting a promising utilization of such photocatalyst. La C co-doped NaTaO3 photocatalyst can be developed further in order to produce hydrogen as a green energy.

Visible Light Driven Photocatalytic Hydrogen Evolution by Lanthanum and Carbon-co-Doped NaTaO3 Photocatalyst

Response Surface Methodology Approach to Optimizing Process Variables for the Densification of Rice Straw as a Rural Alternative Solid Fuel

As the city well known for its culture of coffee drinkers, modern and traditional coffee shops are found everywhere in Banda Aceh, Indonesia. High number of coffee shops in the city generates large quantities of spent coffee grounds as waste without any effort to convert them as other valuable products. In an attempt to reduce environmental problems caused by used coffee grounds, this research was conducted to utilize waste coffee grounds as an activated carbon bio-sorbent. The specific purpose of this research is to improve the performance of coffee grounds bio-sorbent through chemical and physical activation, and to characterize the produced bio-sorbent. Following physical activation by carbonization, a chemical activation was achieved by soaking the carbonized waste coffee grounds in HCl solvent and carbonization process. The activated bio-sorbent was characterized for its morphological properties using Scanning Electron Microscopy (SEM), its functional groups by Fourier Transform Infra-Red Spectrophotometer (FTIR), and its material characteristics using X-Ray Diffraction (XRD). Characterization of the activated carbon prepared from waste coffee grounds shows that it meets standard quality requirement in accordance with Indonesian National Standard, SNI 06-3730-1995. Activation process has modified the functional groups of the waste coffee grounds. Comparing to natural waste coffee grounds, the resulted bio-sorbent demonstrated a more porous surface morphology following activation process. Consequently, such bio-sorbent is a potential source to be used as an adsorbent for various applications.

https://iopscience.iop.org/article/10.1088/1757-899X/334/1/012029/pdf

Activation and characterization of waste coffee grounds as bio-sorbent

This paper presents results obtained from the application of a first-order conditional moment closure approach to the modelling of two methane flames of differing geometries. Predictions are based upon a second-moment turbulence and scalar-flux closure, and supplemented with full and reduced chemical kinetic mechanisms, ranging from a simple 12-step to a complex 1207-step mechanism. Alongside analysis of the full kinetic schemes' performance, is an appraisal of the behaviour of their derivatives obtained using mechanism-reduction techniques. The study was undertaken to analyse the practicality of incorporating kinetic models of varying complexity into calculations of turbulent non-premixed flames, and to make comparison of their performance. Despite extensive studies of the predictive ability of such schemes under laminar flame conditions, systematic evaluations have not been performed for turbulent reacting flows. This paper reflects upon the impact that selection of chemical kinetics has upon subsequent...

Analysis of kinetic mechanism performance in conditional moment closure modelling of turbulent, non-premixed methane flames

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