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Thermokinetic modeling of the combustion of carbonaceous particulate matter

机译：碳质颗粒物燃烧的热动力学模型

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The scope of this study was to determine the kinetics (conversion model, preexponential factor and activation energy) of the combustion of two diesel sootlike materials (Printex XE-2B and Flammruss 101) in the presence of an excess of oxygen by dynamic thermogravimetry. A composite kinetic analysis procedure was applied to evaluate the full kinetic triplet from nonisothermal kinetic data. First, the activation energy values were obtained from the Kissinger-Akahira-Sunose isoconversional method. The values were 129 kJ mol~(-1) (Printex XE-2B) and 144 kJ mol~(-1) (Flammruss 101). The higher reactivity of Printex XE-2B material was attributed to its markedly greater surface area. The activation energy was found to depend slightly on conversion, suggesting that the combustion was a single-step process for both materials. Second, a comparison of the theoretical masterplots deduced by assuming various conversion models with the experimental masterplots obtained from the kinetic data allowed the selection of the appropriate conversion model of the process. Both materials were found to follow a mechanism based on surface nucleation with subsequent movement of the resulting surface, which was consistent with the penetration of oxygen through the porous structure of the solid samples. Also, the preexponential factors and exact kinetic exponents were evaluated on the basis of predetermined activation energies and conversion models. The adequate consistency of the kinetic triplet was assessed by comparing both experimental and calculated thermoanalytical curves at constant heating rate.
机译：本研究的范围是通过动态热重法测定在过量氧气存在下两种柴油烟灰状材料（Printex XE-2B和Flammruss 101）燃烧的动力学（转化模型，指数前因子和活化能）。应用复合动力学分析程序从非等温动力学数据评估完整的动力学三重态。首先，从基辛格-赤平-Sunose同转换方法获得活化能值。值为129 kJ mol〜（-1）（Printex XE-2B）和144 kJ mol〜（-1）（Flammruss 101）。 Printex XE-2B材料的较高反应活性归因于其明显更大的表面积。发现活化能在一定程度上取决于转化率，这表明燃烧是两种材料的一步法。其次，通过假设各种转换模型得出的理论主图与从动力学数据获得的实验主图的比较，可以选择合适的过程转换模型。发现这两种材料都遵循基于表面成核和随后的表面运动的机制，这与氧气穿过固体样品的多孔结构的渗透是一致的。同样，在预定的活化能和转化模型的基础上评估了指数前因子和精确的动力学指数。通过比较在恒定加热速率下的实验曲线和计算的热分析曲线，来评估动力学三重态的足够一致性。

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