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Modeling soot formation in flames and reactors: Recent progress and current challenges
Proceedings of the Combustion Institute ( IF 3.4 ) Pub Date : 2022-12-08 , DOI: 10.1016/j.proci.2022.07.263
Murray J. Thomson

The study of soot has long been motivated by its adverse impacts on health and the environment. However, this combustion knowledge is also relevant to the production of carbon black and hydrogen via methane pyrolysis which are important commodities. Over the last decade, steady progress has been made in the development of detailed continuum models of soot formation in flames and reactors. Developing more comprehensive models has often been motivated by the need for predicting soot formation over a wider range of conditions (e.g., temperature, pressure, fuels). Measurements with novel experimental techniques have given us new insights into the chemistry, particle dynamics and optical properties of soot particles and even molecules and radicals forming them. Also, multi-scale modeling has enabled us to translate the detailed mechanisms of soot processes based on first principles into computationally efficient but accurate continuum models of soot formation in flames and reactors. However, important questions remain including (1) what is the mechanism of soot inception and surface growth, (2) which gas-phase species are involved in soot inception and surface growth (3) how surface growth and oxidation are affected by soot surface properties. Proposed models need to be evaluated against experimental data over a wide range of conditions to determine their predictive strength. These questions are critical for the accurate prediction of soot formation in flames and its emissions from engines. However, this knowledge can also be used to develop predictive process design and optimization tools for carbon black and other nanocarbon formation in reactors.



中文翻译:

模拟火焰和反应器中的烟灰形成:最新进展和当前挑战

煤烟对健康和环境的不利影响长期以来一直受到煤烟研究的推动。然而,这种燃烧知识也与通过甲烷热解生产炭黑和氢气有关,这些都是重要的商品。在过去十年中,在开发火焰和反应器中烟灰形成的详细连续介质模型方面取得了稳步进展。开发更全面的模型的动机往往是需要在更广泛的条件(例如,温度、压力、燃料)下预测烟灰形成。使用新颖的实验技术进行的测量使我们对烟尘颗粒甚至形成它们的分子和自由基的化学、粒子动力学和光学特性有了新的认识。还,多尺度建模使我们能够将基于第一原理的烟灰过程的详细机制转化为计算高效但准确的火焰和反应器中烟灰形成的连续模型。然而,仍然存在重要问题,包括 (1) 烟灰形成和表面生长的机制是什么,(2) 哪些气相物质参与烟灰形成和表面生长 (3) 烟灰表面特性如何影响表面生长和氧化. 拟议的模型需要在广泛的条件下根据实验数据进行评估,以确定它们的预测强度。这些问题对于准确预测火焰中烟灰的形成及其发动机排放至关重要。然而,

更新日期:2022-12-09
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