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The devolatilisation step of coal is a vital stage in both air–coal and oxy-coal combustion and there is interest in whether methods of estimating the reaction parameters are similar for both cases. A network pyrolysis model, the FG-DVC (Functional Group-Depolymerisation Vaporisation Cross-linking) code was employed to evaluate the effect of temperature (1273–1773 K) and heating rate (104–106 K/s) on the devolatilisation parameters of two coals of different rank. The products distribution between char and volatiles, and volatiles and NH3/HCN release kinetics were also determined. In order to assess the accuracy of the FG-DVC predictions, the values for nitrogen distribution and devolatilisation kinetics obtained for a temperature of 1273 K and a heating rate of 105 K/s were included as inputs in a Computational Fluid Dynamics (CFD) model for oxy-coal combustion in an entrained flow reactor (EFR). CFD simulations with the programme default devolatilisation kinetics were performed. The oxygen content in oxy-firing conditions ranged between 21% and 35%, and air-firing conditions were also employed as a reference. The experimental coals burnouts and oxygen concentrations from the EFR experiments were employed to test the accuracy of the CFD model. The temperature profiles, burning rates, char burnout and NO emissions during coal combustion in both air and O2/CO2 atmospheres were predicted. The predictions obtained when using the CFD model with FG-DVC coal devolatilisation kinetics were much closer to the experimental values than the predictions obtained with the ANSYS Fluent (version 12) program default kinetics. The predicted NO emissions under oxy-firing conditions were in good agreement with the experimental values. The present study was carried out with financial support from the Spanish MICINN (Project PS-120000-2005-2) co-financed by the European Regional Development Fund. L.A. and J.R. acknowledge funding from the CSIC JAE program, which was cofinanced by the European Social Fund, and the Asturias Regional Government (PCTI program), respectively. MG acknowledges financial support from E.ON UK, and for an EPSRC Dorothy Hodgkin Postgraduate Award. We also thank Dr L Ma for helpful discussions. Peer reviewed

Modern gas turbines operate with large amounts of excess air for cooling and dilution of the combustion gases, in order to maintain gas turbine blade integrity. Selective recycling of CO2 into the gas turbine compressor inlet, also referred as Selective Exhaust Gas Recirculation (SEGR), can reduce the large volumetric flow rate through a CO2 capture system caused by the gas turbine excess air requirements, by 70 - 77%. It also increases CO2 concentrations to 14-18 vol% from 3-4% vol, increasing the driving force for post-combustion capture systems. This paper provides a comprehensive assessment of the concept and presents research outcomes from the UK-funded SELECT project, including power plant and process modelling, techno-economic assessments, pilot-scale gas turbine experimental work and experimental combustion tests on a representative combustor. Using an integrated model of turbomachinery, power cycles and a generic post-combustion CO2 capture technology with a 30%wt MEA solvent, we show that a reduction of up to 50% of the absorber of the capture plant – the most capital intensive part of the process – can be achieved. The compressor and gas turbine operate without any significant deviation from their design point, and a marginal increase of 0.5% point in the net electrical efficiency can be achieved. Pilot-scale testing - conducted at the Pilot Scale Advanced Capture Technologies (PACT) facilities at the University of Sheffield - show that CO2 injection at the compressor inlet of a 100 kW micro gas turbine (mGT) connected to a 1 tonne per day CO2 capture plant reduces net electrical efficiency by 1-2 %point. This is caused by lower flame temperatures, and, unlike in larger gas turbines, the control system of the micro gas turbine. Combustion tests at Cardiff University’s Gas Turbine Research Centre (GTRC) in a pilot-scale high-pressure generic premixed swirl burner, representative of modern dry-low emissions (DLR) gas turbine burners, show the effect of CO2 as diluent on the operational premixed CH4/air flame stability, chemical kinetics and measured exhaust gas composition. CO2 acts as a combustor inhibitor, causing downstream migration of the premixed flame zone, leading to eventual blow-off, instability and extinction, requiring a change in the operation equivalence ratio. The effect of adding CO2 leads to a reduction in the adiabatic flame temperature due to thermal quenching, which results in higher CO emissions and smaller thermal NOx emissions. Increasing pressure has a significant reducing effect on CO emissions, yet it results in higher NOx production, which may require mitigation if this trend is found to continue towards pressures approaching that of the F-class gas turbine. Finally, a conceptual design assessment of a regenerative adsorption wheel with structured adsorbents is proposed for the selective recycling of CO2 in combined cycle gas turbine (CCGT) power plants. It has the advantage of a relatively small pressure drop to reduce the derating of the gas turbine compared to selective CO2 membrane systems. An equilibrium model of a rotary adsorber with commercially available activated carbon adsorbents shows that four rotary wheels of 24 m diameter and 2 m length would be required in an 820MW CCGT plant. A reduction of 50% in the mass of adsorbent would be possible with an adsorbent with a higher capacity, such as Zeolite X13, with upstream dehydration of the flue gases.

The combustion of coal is responsible for nearly 40% of the world's electricity production, and char combustion accounts for about half of that amount. Clearly, an understanding of the combustion mechanism of carbon is of great importance not only because of its industrial significance but because it is a model heterogeneous reaction. A number of recent studies have been concerned with ab initio molecular orbital calculations on graphite including model chemistry and the reactions with molecular oxygen. This study is concerned with oxidation steps involving the attachment of oxygen to a graphene layer at high temperature leading to the formation of carbon monoxide, and particular attention is paid to the subsequent oxidation reactions. In addition, the reaction of oxygen with carbon catalyzed by metals inherent within the char matrix and the reaction of molecular oxygen with the analogous biomass char are investigated and their reaction paths are discussed.

Abstract This paper identifies advantages of using biofuels and biomass mixed with coal in combustion. The availability of biomass with regard to landuse is reviewed, followed by a brief account of the combustion process and the concomitant formation of semi-volatile organic compounds. Chemical compositions of selected biofuels and coal are presented. Routes of formation for polychlorinated dibenzodioxins/furans (dioxins and furans) are illustrated with subsequent reference to associated emissions. Graphs in the paper show coal and biofuel propensities for forming dioxin and furan isomers followed by methods for predicting emission levels and isomer distributions within combustion systems. The final sections of the paper summarise recent equilibrium concentration studies and discuss the ongoing combustion experiments being conducted in the University of Leeds’ Department of Fuel and Energy. Preliminary results are presented and discussed, finishing with three main experimentally-drawn conclusions.

This chapter reviews the main mathematical and computational techniques used for the modeling of nanotechnology-based sustainable energy systems. The application of nanotechnology in the sustainable energy sector predominantly consists of the use of advanced nanomaterials to enhance already-existing energy-harvesting systems. Numerical simulations are extremely helpful in predicting the behavior of nanomaterials in different applications and elucidating the underlying mechanisms of energy transport at different scales. Successful recent examples of using numerical modeling to develop nanotechnology-based sustainable energy research are briefly mentioned in this chapter. Here, all computational techniques are roughly categorized into either continuum, discrete, or statistical modeling approaches with examples of each category being provided accordingly. In addition, common numerical modeling techniques, namely molecular dynamics, computational fluid dynamics, finite element method, fractal method, and Monte Carlo method, along with their implementation methodologies in the simulation of nanotechnology-based energy systems are explained.

Abstract The aim of this paper is to numerically investigate the effects of CO2 dilution on the operation of an industrial micro gas turbine combustor in order to assess the possible application of exhaust gas recirculation (EGR) for post-combustion CO2 capture. A complete 3D model of the combustion chamber has been developed, taking into account the conjugate heat transfer (CHT) and radiation effects, and a detailed chemical mechanism has been employed in the framework of the Flamelet Generated Manifolds approach to model the combustion process. The importance of including the effects of conjugate heat transfer in the model has been demonstrated for both air-fired and EGR conditions. Also, combustion with EGR resulted in lower temperature levels with respect to the air-fired case and thus in reduced NOx production. Further, the increased presence of carbon dioxide has been observed to have an impact on both the flame speed and the flame stabilization mechanism. According to the numerical results, EGR can be a viable way to increase the CO2 content in the flue gas of dry low-emissions (DLE) combustors, and therefore enhance the efficiency of post-combustion carbon separation. At the same time, due to the reduced temperature levels within the combustion chamber, it is possible to attain lower NOx emissions without compromising the combustion efficiency under the considered EGR levels.

The deployment of post-combustion CO2 capture on large-scale gas-fired power plants is\ud currently progressing, hence the integration of the power and capture plants requires a\ud good understanding of operational requirements and limitations to support this effort. This\ud article aims to assist research in this area, by studying a micro gas turbine (MGT) integrated\ud with an amine-based post-combustion CO2 capture unit. Both processes were simulated\ud using two different software tools – IPSEpro and Aspen Hysys, and validated against\ud experimental tests. The two MGT models were benchmarked at the nominal condition, and\ud then extended to part-loads (50 and 80 kWe), prior to their integration with the capture\ud plant at flue gas CO2 concentrations between 5 and 10 mol%. Further, the performance of\ud the MGT and capture plant when gas turbine exhaust gases were recirculated was assessed.\ud Exhaust gas recirculation increases the CO2 concentration, and reduces the exhaust gas\ud flowrate and specific reboiler duty. The benchmarking of the two models revealed that the\ud IPSEpro model can be easily adapted to new MGT cycle modifications since turbine\ud temperatures and rotational speeds respond to reaching temperature limits; whilst a\ud detailed rate-based approach for the capture plant in Hysys resulted in closely aligned\ud simulation results with experimental data.\ud