OCR Text |
Show 8 Discussion: Reactor and flame configurations, whose flow fields are either simple or precisely described by existing fluid dynamics models, will be studied. Experimental configuration and conditions will be selected to produce reactive regimes that represent those encountered in petroleum industry burners. Two types of experimental facilities will be used: a laminar, premixed, flat flame burner (simulating the well-mixed regions of a petroleum industry burner flame), and laminar co- or counter-flowing diffusion flames (simulating the unmixed regions of the industrial flame). Mature fluid dynamic models exist for both of these flame configurations, thus model predictions will be sensitive primarily to the reaction mechanisms that will be developed under this program. The flat flame burner facility currently exists, and the diffusion flame apparatus will be fabricated as part of this task. Spatially resolved species sampling will be performed using an oil-cooled microprobe that minimizes the adsorption and condensation of high molecular weight species. Identification and quantification of species will be accomplished using a GClMS system. Measurement of species with relatively high concentrations (> 1 ppm) will be made directly, while a concentration system to be fabricated as part of this task will be used for species at lower concentrations. Temperature profiles will be measured by using fme wire thermocouples freshly coated with silica and vitrified. Responsibility: University of California at Los Angeles Chemical Engineering Laboratory MilestoneslDeliverables: Validation measurements completed for: lOA Butadiene and Benzene (Month 9) lOB Aldehydes and Toluene (Month 12) IOC Ethyl Benzene and Xylene (Month 18) 10D Naphthalene, Anthracene, and Benzo(a)pyrene (Month 24) 10E Preliminary Oass Groupings or Advanced Species (Month 30) 10F Class Groupings or Advanced Species (Month 33) Task 11. Analysis of Chemical Kinetic Mechanisms Objectives: To assess the ability of the composite chemical kinetic mechanism to accurately predict emissions of toxic species. Discussion: The performance of the composite chemical kinetic mechanism will be analyzed in comparison with the validation measurements to assess its ability to accurately predict emissions of toxic species. Conditions under which the model performs both well and poorly will be identified and remedies sought for the latter. Refinement or addition of sub-mechanisms and validation measurements will be undertaken as necessary. Responsibilities: Lawrence Livermore National Laboratory (LLNL); Sandia National Laboratories, Livermore (SNL); and the University of California at Los Angeles Chemical Engineering Laboratory (UCLA) will perform various parts of this task as indicated below. MilestoneslDeliverables: llA Butadiene and Benzene Report (Month 12) - lLNL lIB Aldehydes and Toluene Report (Month 18) - SNL 11 C Ethyl Benzene and Xylene Report (Month 24) - UCLA lID Naphthalene, Anthracene, and Benzo(a)pyrene Report (Month 30) - UClA lIE Class Groupings or Advanced Species Report (Month 36) - UCLA |