This report covers the progress made on the title project for the project period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups that determine the reactivity of coals. Special attention is being paid to methods that are compatible with the very high magic angle sample spinning rates needed for operation at the high magnetic field strengths available today. Polarization inversion methods utilizing the difference in heat capacities of small groups of spins are particularly promising. Methods combining proton-proton spin diffusion with [sup 13]C CPMAS readout are being developed to determine the connectivity of functional groups in coals in a high sensitivity relay type of experiment. Additional work is aimed at delineating the role of methyl group rotation in the proton NMR relaxation behavior of coals.

This quarterly report discusses the technical progress of a US Department of Energy (DOE) Innovative Clean Coal Technology (ICCT) Project demonstrating advanced tangentially-fired combustion techniques for the reduction of nitrogen oxide (NO{sub x}) emissions from a coal-fired boiler. The project is being conducted at Gulf Power Company`s Plant Lansing Smith Unit 2 located near Panama City, Florida. The primary objective of this demonstration is to determine the long-term effects of commercially available tangentially-fired low NO{sub x} combustion technologies on NO{sub x} emissions and boiler performance. A target of achieving fifty percent NO{sub x} reduction using combustion modifications has been established for the project. The stepwise approach that is being used to evaluate the NO{sub x} control technologies requires three plant outages to successively install the test instrumentation and the different levels of the low NO{sub x} concentric firing system (LNCFS). Following each outage, a series of four groups of tests are performed. These are (1) diagnostic, (2) performance, (3) long-term, and (4) verification. These tests are used to quantify the NO{sub x} reductions of each technology and evaluate the effects of those reductions on other combustion parameters such as particulate characteristics and boiler efficiency. This technical progress report presents the …

Results (solid-1600K, open-2000K surface temperature) from Fig.3 show that oxygen and nitrogen distributions are almost same although there is a little particle shrinkage (r{sub o}=0.009cm). C0{sub 2}/CO ratio drop significantly as the temperature increases, which is opposite to experimental results reported earlier. The cause of this behavior is mainly due to the lack of gas phase CO oxidation. Therefore, C0{sub 2}/CO ratio are directly related to C0{sub 2} and CO production of the heterogeneous reaction, which generates less C0{sub 2} as the temperature goes up. To get CO oxidation in the gas phase boundary layer, we may need to incorporate more elementary reactions. But the computation time currently used for one ignition-extinction calculation is about 2 Cray CPU hours, which is very long, and will be longer if we incorporate full reaction kinetics. Actually we don`t need temperature and mass fraction distribution through the whole time span, there`s a need to develop a gas phase model which calculates distributions for only one surface temperature. A model incorporating full reaction set is under development using the time dependent results of SCOM as an initial guess.

Toluene radical cations produced by {gamma} irradiation at 77 K in ZSM-5 and Silicalite (isomorphous with ZSM-5 but nonpolar) undergo a reversible transformation to the norbornadiene radical cation at temperatures {le}150K. The transformation occurs to a greater extent in the more polar zeolite (ZSM-5). The substrate concentration plays an important role. Toluene radical cations undergo ion-molecule reactions to give benzyl radicals at low substrate loading at temperatures >200 K. At higher concentration, different adsorption sites become populated which allow the transformation to norbornadiene radical cation to take place.

This quarterly report discusses the technical progress of a US Department of Energy (DOE) Innovative Clean Coal Technology (ICCT) Project demonstrating advanced tangentially-fired combustion techniques for the reduction of nitrogen oxide (NO[sub x]) emissions from a coal-fired boiler. The project is being conducted at Gulf Power Company's Plant Lansing Smith Unit 2 located near Panama City, Florida. The primary objective of this demonstration is to determine the long-term effects of commercially available tangentially-fired low NO[sub x] combustion technologies on NO[sub x] emissions and boiler performance. A target of achieving fifty percent NO[sub x] reduction using combustion modifications has been established for the project. The stepwise approach that is being used to evaluate the NO[sub x] control technologies requires three plant outages to successively install the test instrumentation and the different levels of the low NO[sub x] concentric firing system (LNCFS). Following each outage, a series of four groups of tests are performed. These are (1) diagnostic, (2) performance, (3) long-term, and (4) verification. These tests are used to quantify the NO[sub x] reductions of each technology and evaluate the effects of those reductions on other combustion parameters such as particulate characteristics and boiler efficiency. This technical progress report presents the …

This report covers the progress made on the title project for the project period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups that determine the reactivity of coals. Special attention is being paid to methods that are compatible with the very high magic angle sample spinning rates needed for operation at the high magnetic field strengths available today. Polarization inversion methods utilizing the difference in heat capacities of small groups of spins are particularly promising. Methods combining proton-proton spin diffusion with {sup 13}C CPMAS readout are being developed to determine the connectivity of functional groups in coals in a high sensitivity relay type of experiment. Additional work is aimed at delineating the role of methyl group rotation in the proton NMR relaxation behavior of coals.

Results (solid-1600K, open-2000K surface temperature) from Fig.3 show that oxygen and nitrogen distributions are almost same although there is a little particle shrinkage (r[sub o]=0.009cm). C0[sub 2]/CO ratio drop significantly as the temperature increases, which is opposite to experimental results reported earlier. The cause of this behavior is mainly due to the lack of gas phase CO oxidation. Therefore, C0[sub 2]/CO ratio are directly related to C0[sub 2] and CO production of the heterogeneous reaction, which generates less C0[sub 2] as the temperature goes up. To get CO oxidation in the gas phase boundary layer, we may need to incorporate more elementary reactions. But the computation time currently used for one ignition-extinction calculation is about 2 Cray CPU hours, which is very long, and will be longer if we incorporate full reaction kinetics. Actually we don't need temperature and mass fraction distribution through the whole time span, there's a need to develop a gas phase model which calculates distributions for only one surface temperature. A model incorporating full reaction set is under development using the time dependent results of SCOM as an initial guess.