Modeling of soot particle inception in aromatic and aliphatic premixed flames

Angela Violi

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Modeling of soot particle inception in aromatic and aliphatic premixed flames

机译：芳香族和脂肪族预混火焰中烟尘颗粒开始的建模

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The growth of hydrocarbon molecules up to sizes of incipient soot is computed in premixed laminar flames using kinetic Monte Carlo and molecular dynamic methodologies (AMPI code). This approach is designed to preserve atomistic scale structure (bonds, bond angles, dihedral angles) as soot precursors evolve into three-dimensional structures. Application of this code to aliphatic (acetylene) and aromatic (benzene) flame environments is able to explain results in the literature on the differences in properties of soot precursors from these two classes of flames, particularly relating to H/C ratio, particle sphericity, and depolarization ratio.

机译：使用动力学蒙特卡洛和分子动力学方法（AMPI代码），在预混合层流火焰中计算出碳氢化合物分子的增长，达到初生烟灰的大小。这种方法旨在保留烟尘前体演变成三维结构时的原子尺度结构（键，键角，二面角）。将此代码应用于脂肪族（乙炔）和芳香族（苯）火焰环境，能够解释文献中有关这两类火焰的烟尘前体性质差异的结果，尤其是与H / C比，颗粒球形度，和去极化率。

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来源
《Combustion and Flame》 |2004年第4期|p.279-287|共9页
作者
Angela Violi;
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作者单位

Department of Chemical Engineering, University of Ulan, Salt Sake City, UT84112, USA;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
原文格式 PDF
正文语种 eng
中图分类燃料与燃烧;
关键词
molecular dynamics; kinetic monte carlo; soot inception;

机译：分子动力学;动力学蒙特卡洛;烟灰开始;

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专利

1. Corrigendum to 'High-sensitivity detection of polycyclic aromatic hydrocarbons adsorbed onto soot particles using laser desorption/laser ionization/time-of-flight mass spectrometry: An approach to studying the soot inception process in low-pressure flames' [Combust. Flame 158 (2011) 227-239] [J] . Alessandro Faccinetto, Pascale Desgroux, Michael Ziskind, Combustion and Flame . 2012,第5期

机译：“使用激光解吸/激光电离/飞行时间质谱技术高灵敏度检测吸附在烟尘颗粒上的多环芳烃的勘误：一种研究低压火焰中烟灰起始过程的方法” [燃烧。火焰158（2011）227-239]
2. High-sensitivity detection of polycyclic aromatic hydrocarbons adsorbed onto soot particles using laser desorption/laser ionization/time-of-flight mass spectrometry: An approach to studying the soot inception process in low-pressure flames [J] . Alessandro Faccinetto, Pascale Desgroux, Michael Ziskind, Combustion and Flame . 2011,第2期

机译：使用激光解吸/激光电离/飞行时间质谱法高灵敏度检测吸附在烟尘颗粒上的多环芳烃：研究低压火焰中烟尘产生过程的一种方法
3. Large Molecules, Radicals, ions, and Small Soot Particles in Fuel-Rioch Hydrocarbon Flames Part I: Positive Ions of Polycyclic aromatic Hydrocarbons (PAH) in Low-Pressure Premixed Flames of Acetylene and Oxygen [J] . P.Weilmunster, A.Keller, K.-H.Homann Combustion and Flame . 1999,第1a2期

机译：燃料型碳氢化合物火焰中的大分子，自由基，离子和小烟灰颗粒第一部分：乙炔和氧气的低压预混火焰中的多环芳烃（PAH）的正离子
4. Large molecules,radicals lions,and small soot particles in fuel-rich hydrocarbon flames part II.aromatic radicals and intermediate PAHs in a premixed low-pressure naphthalene/oxygen/argon flame [C] . J.Griesheimer, K.H.Homann . 1998

机译：富含燃料的碳氢化合物火焰中的大分子，自由基狮子和小烟灰颗粒II。预混合的低压萘/氧气/氩气火焰中的芳香族自由基和中间PAH
5. Evolution of soot size distribution during soot formation and soot oxidation-fragmentation in premixed flames: Experimental and modeling study. [D] . Echavarria, Carlos Andres. 2010

机译：预混火焰中烟尘形成和烟尘氧化破碎过程中烟尘尺寸分布的演变：实验和模型研究。
6. Age specific responses to acute inhalation of diffusion flame soot particles: Cellular injury and the airway antioxidant response [O] . Laura S. Van Winkle, Jackie K.W. Chan, Donald S. Anderson, -1

机译：年龄特定反应对扩散火焰烟灰颗粒的急性吸入：细胞损伤和气道抗氧化剂反应
7. Direct observation of aliphatic structures in soot particles produced in low-pressure premixed ethylene flames via online Raman spectroscopy [O] . Kim Cuong Le, Christophe Lefumeux, Per-Erik Bengtsson, 2019

机译：通过在线拉曼光谱直接观察低压预混合乙烯火焰中产生的烟灰颗粒中的脂族结构

Modeling of soot particle inception in aromatic and aliphatic premixed flames

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