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Application of chemical kinetic modeling to improve design and performance criteria for a practical incineration system.

机译：应用化学动力学建模来改进实际焚烧系统的设计和性能标准。

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In this study, detailed thermo-chemical kinetics with networked ideal reactor model were applied to simulate a practical combustion system—the Secondary Combustion Chamber (SCC) of the Rotary Kiln incineration Simulator (RKIS) at the EPA facility at Research Triangle Park, NC. The networked ideal model was developed using analysis of reactor geometry, temperature profile measurements, and SO2 tracer data provided by EPA. A computer simulation of the networked model was developed using the CHEMKIN II library. A parallel effort considered the effects of non-ideal mixing on detailed thermo-kinetic simulations. Specifically, an alternate approach was developed to solve the Partially Stirred Reactor (PaSR) model that allowed the incorporation of large detailed mechanisms. Both ideal and non-ideal modeling approaches were compared with experimental data gathered on a Toroidal Jet Stirred Combustor (TJSC) and the SCC at EPA. SCC experiments measured Product of Incomplete Combustion (PIC) formation of surrogate chlorinated wastes (CCl4 and CH2Cl2), while the TSJC experiments measured PIC formation in ethylene/air combustion for fuel-lean conditions near blowout and fuel-rich conditions.; Analysis of the geometry and temperature profiles of the SCC suggested the existence of up to four distinct mixing zones. The RTDs, which were resolved from the tracer studies, further supported a multiple PSR model. A model was chosen based on the best fit to SO2 tracer data and consistency with physical geometry, resulting flow patterns, and temperature measurements. A thermo-kinetic mechanism developed by Chiang (1995) was applied to the model. The model results did not agree well with the experimental data. However, it followed many of the underlying trends revealed by the data. Sensitivity analysis of the parameters was used to further explore trends and recommend potential design improvements to reduce PIC formation.; An alternate solution technique was developed for the PaSR which approximated mean conditions and solved the deterministic model to refine the approximation and eventually converge on a solution. The approximation, direct integration, and convergence technique compared favorably with the published Monte Carlo modeling calculations, but used, on average, less than 1/200 th of the CPU time. This new technique allowed use of considerably larger detailed mechanisms. Additionally, a generalized PaSR model was proposed to account for the effects of non-ideal macromixing.
机译：在这项研究中，详细的热化学动力学和网络化理想反应器模型被用于模拟实际的燃烧系统-位于北卡罗莱纳州研究三角公园的EPA设施的回转窑焚烧模拟器（RKIS）的二次燃烧室（SCC）。通过分析反应堆的几何形状，温度分布测量值以及EPA提供的SO 2 示踪剂数据，开发了网络化的理想模型。使用 CHEMKIN II 库开发了网络模型的计算机仿真。并行的工作考虑了非理想混合对详细的热动力学模拟的影响。特别是，开发了一种替代方法来解决部分搅拌反应堆（PaSR）模型，该模型允许合并大型详细机制。将理想和非理想的建模方法与在环形喷射搅拌燃烧器（TJSC）和EPA的SCC上收集的实验数据进行了比较。 SCC实验测量了替代氯化废物（CCl 4 和CH 2 Cl 2 ）的不完全燃烧（PIC）形成的产物，而TSJC实验在爆燃附近和稀油条件下的稀油条件下，测量了乙烯/空气燃烧中的PIC形成；对SCC的几何形状和温度曲线的分析表明，存在多达四个不同的混合区。从示踪剂研究中解决的RTD进一步支持了多个PSR模型。根据对SO 2 示踪剂数据的最佳拟合以及与物理几何形状，所得流型和温度测量值的一致性来选择模型。 Chiang（1995）开发的热动力学机制被应用到模型中。模型结果与实验数据不一致。但是，它遵循了数据揭示的许多潜在趋势。参数的敏感性分析被用来进一步探索趋势并建议潜在的设计改进以减少PIC的形成。为PaSR开发了一种替代的求解技术，该算法近似平均条件并求解了确定性模型以精炼近似值并最终收敛于求解。逼近，直接积分和收敛技术与已发布的Monte Carlo建模计算相比具有优势，但平均使用的时间不到CPU时间的1/200 th 。这项新技术允许使用相当大的详细机制。此外，提出了一种通用的PaSR模型来说明非理想宏混合的影响。

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