Detailed modelling of combustion

Oran, E. S and Boris, J. P., Detailed Modelling of Combustion Processes, to appear in Prog, in Energy and Comb. Sci, 1980. 

E. Oran and J. Boris, detailed Modeling of Combustion Systems" NRL Memorandum Report 4371, November 1980. 

Oran, E.S. and Boris, J.P. (1982), Detailed modeling of combustion systems. Prog. Energy Combust. Sci., 1, 1-72. 

Understanding the magnitudes and temperature dependences of bimolecular gas reactions is important for detailed modeling of combustion reactions. In this chapter the theoretical background required for this was developed and compared to experimental data. 

Frenklach, M. and Warnatz, J., Detailed modeling of PAH profiles in a sooting low-pressure acetylene flame. Combust. Sci. Tech., 51,265,1987. 

The present research has treated important parts of the modeling of combustion and NOx formation in a biomass grate furnace. All parts resulted in useful approaches. For all these approaches successful first steps were taken. Currently, more research is underway to obtain improved results NH3 production is measured in the grid reactor with the tunable diode laser, detailed kinetics will be attached to the front propagation model, including the measured NH3 release functionalities, and for the turbulent combustion model heat losses are taken into account. In addition, the fuel layer model has to be coupled to the turbulent combustion model in the furnace. 

Heimerl, J. M., and T. P. Coffee. 1980. The detailed modeling of premixed, laminar steady-state flames. 1. Ozone. Combustion Flame 39 301-15. 

Laser-based spectroscopic probes promise a wealth of detailed data--concentrations and temperatures of specific individual molecules under high spatial resolution--necessary to understand the chemistry of combustion. Of the probe techniques, the methods of spontaneous and coherent Raman scattering for major species, and laser-induced fluorescence for minor species, form attractive complements. Computational developments now permit realistic and detailed simulation models of combustion systems advances in combustion will result from a combination of these laser probes and computer models. Finally, the close coupling between current research in other areas of physical chemistry and the development of laser diagnostics is illustrated by recent LIF experiments on OH in flames. 

The measurements of temperature and species concentrations profiles in premixed, laminar flames play a key role in the development of detailed models of hydrocarbon combustion. Systematic comparisons are given here between a recent laminar methane-air flame model and laser measurements of temperature and species concentrations. These results are obtained by both laser Raman spectroscopy and laser fluorescence. These laser probes provide nonintrusive measurements of combustion species for combustion processes that require high spatial resolution. The measurements reported here demonstrate that the comparison between a model and the measured concentrations of CH, O2,... 

The form of EBU expression is mainly based on dimensional arguments. The ratio k/ is the turbulent time scale. If the turbulence intensity is high, so is the fuel consumption. For the prediction of secondary species, such as CO, HC1, and soot, more advanced models using flamelets [37] have been used. The flamelets (and state relations) can be determined either experimentally [39] or computationally, using detailed models for combustion chemistry [40] that incorporate strain rate effects. 

As a third step, the global model for hydrocarbon combustion was extended with a detailed model of 21 elementary steps for moist CO combustion, resulting in a quasi-global model similar to that of Edelman and Fortune. This model [202] predicted the species profiles as well. A similar model was almost simultaneously proposed by Duterque et al. [206] for five fuels. 

The application of the basic ideas to real combustion systems is then taken up in Chapters 6 and 7. In Chapter 6, experimental and modelling studies are described which link the mechanistic observations of Chapter 1 to combustion characteristics of fuels studied under laboratory conditions. The experimental emphasis is initially on global combustion phenomena - ignition and oscillatory cool-flames - for a range of hydrocarbons. Section 6.5 then addresses the distribution of products in hydrocarbon oxidation this discussion differs from that in Chapter 1 where the conditions were optimized to allow the investigation of specific reactions. The focus is now on studies of oxidation products over a range of isothermal and non-isothermal conditions, the interpretation of the results in terms of elementary reactions and the use of the experimental data as a detailed test of combustion models. The chapter provides an overview of the success of detailed models in describing combustion phenomena and combustion... 

Krestinin, A.V. Detailed modelling of soot formation in hydrocarbon pyrolysis. Combustion Flame 2000, 121, 513-524. 

As exemplified by several papers within this symposium, computer models of combustion processes which incorporate extensive and detailed chemical kinetics are now feasible. Such calculations are capable of treating systems varying widely in time... 

The results of the calculation show a dramatic change in the fall-off as temperature increases, and that the addition channel is expected to be very slow at HOOK and 100 torr. For use in computer models of combustion systems incorporating detailed chemical kinetics, it is important that this combined... 

Optimization of the thermal performance of regenerators requires detailed modeling of the flow behavior of both combustion air and hot flue gas and the spatial temperature distribution in flue gas, combustion air and checker work. 

Maestri M, Beretta A, Faravelh T, Groppi G, Tronconi E, Vlachos DG Two-dimensional detailed modeling of fuel-rich H2 combustion over RhZAl203 catalyst, Chem Eng Sci 63 2657-2669, 2008. 

The goal of this chapter is to prepare the reader for independent modeling research. The first half (Sections 2 to 6) reviews the subject of modeling in general, while the second half is devoted to detailed kinetic modeling of combustion chemistry. The reader is advised to concentrate more on the qualitative aspects than on mathematical details thus Subsections 4.2 and 4.3 may be skipped at first reading. 

Conformational analysis is far simpler m cyclopropane than m any other cycloalkane Cyclopropane s three carbon atoms are of geometric necessity coplanar and rotation about Its carbon-carbon bonds is impossible You saw m Section 3 4 how angle strain m cyclopropane leads to an abnormally large heat of combustion Let s now look at cyclopropane m more detail to see how our orbital hybridization bonding model may be adapted to molecules of unusual geometry... 

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