n-Heptane cool flame chemistry: Unraveling intermediate species measured in a stirred reactor and motored engine

Wang Zhandong; Chen Bingjie; Mosharnmer Kai; Popolan-Vaida Denisia M.; Sioud Salim; Shankar Vijai Shankar Bhavani; Vuilleumier David; Tao Tao; Ruwe Lena; Braeuer Eike; Hansen Nils; Dagaut Philippe; Kohse-Hoeinghaus Katharina; Raji Misjudeen A.; Sarathy S. Mani

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n-Heptane cool flame chemistry: Unraveling intermediate species measured in a stirred reactor and motored engine

机译：正庚烷冷火焰化学：在搅拌反应器和机动发动机中测得的中间物质类别

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摘要

This work identifies classes of cool flame intermediates from n-heptane low-temperature oxidation in a jet-stirred reactor (JSR) and a motored cooperative fuel research (CFR) engine. The sampled species from the JSR oxidation of a mixture of n-heptane/O-2/Ar (0.01/0.11/0.88) were analyzed using a synchrotron vacuum ultraviolet radiation photoionization (SVUV-PI) time-of-flight molecular-beam mass spectrometer (MBMS) and an atmospheric pressure chemical ionization (APCI) Orbitrap mass spectrometer (OTMS). The OTMS was also used to analyze the sampled species from a CFR engine exhaust. Approximately 70 intermediates were detected by the SVUV-PI-MBMS, and their assigned molecular formulae are in good agreement with those detected by the APCI-OTMS, which has ultra-high mass resolving power and provides an accurate elemental C/H/O composition of the intermediate species. Furthermore, the results show that the species formed during the partial oxidation of n-heptane in the CFR engine are very similar to those produced in an ideal reactor, i.e., a JSR.

机译：这项工作确定了喷射搅拌反应堆（JSR）和机动合作燃料研究（CFR）发动机中正庚烷低温氧化产生的冷火焰中间体类别。使用同步加速器真空紫外辐射光电离（SVUV-PI）飞行时间分子束质量分析了正庚烷/ O-2 / Ar（0.01 / 0.11 / 0.88）混合物的JSR氧化过程中所采样的物质质谱仪（MBMS）和大气压化学电离（APCI）Orbitrap质谱仪（OTMS）。 OTMS还用于分析CFR发动机排气中的采样物质。 SVUV-PI-MBMS检测到大约70种中间体，它们的分子式与APCI-OTMS检测到的分子式非常吻合，APCI-OTMS具有超高的质量分辨能力，并提供准确的元素C / H / O组成中间物种。此外，结果表明，在CFR发动机中正庚烷部分氧化期间形成的物质与理想反应器即JSR中产生的物质非常相似。

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来源
《Combustion and Flame》 |2018年第1期|199-216|共18页
作者
Wang Zhandong; Chen Bingjie; Mosharnmer Kai; Popolan-Vaida Denisia M.; Sioud Salim; Shankar Vijai Shankar Bhavani; Vuilleumier David; Tao Tao; Ruwe Lena; Braeuer Eike; Hansen Nils; Dagaut Philippe; Kohse-Hoeinghaus Katharina; Raji Misjudeen A.; Sarathy S. Mani;
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作者单位

King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia;

King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia;

Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA|Phys Tech Bundesanstalt, Bundesallee 100, D-38116 Braunschweig, Germany;

Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA|Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA;

King Abdullah Univ Sci & Technol, Analyt Core Lab, Thuwal 239556900, Saudi Arabia;

King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia;

Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA;

Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA|Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China|Tsinghua Univ, Dept Thermal Engn, Beijing 100084, Peoples R China;

Bielefeld Univ, Dept Chem, D-33615 Bielefeld, Germany;

Bielefeld Univ, Dept Chem, D-33615 Bielefeld, Germany;

Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA;

CNRS, INSIS, 1C, F-45071 Orleans 2, France;

Bielefeld Univ, Dept Chem, D-33615 Bielefeld, Germany;

King Abdullah Univ Sci & Technol, Analyt Core Lab, Thuwal 239556900, Saudi Arabia;

King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia;

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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
关键词
n-heptane; Auto-oxidation; Peroxides; Synchrotron VUV photoionization mass spectrometry; APCI Orbitrap mass spectrometry;

机译：正庚烷;自动氧化;过氧化物;同步加速器VUV光电离质谱;APCI Orbitrap质谱;

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1. Study of ignition chemistry on turbulent premixed flames of n-heptane/air by using a reactor assisted turbulent slot burner [J] . Windom Bret, Won Sang Hee, Reuter Christopher B., Combustion and Flame . 2016,第jula期

机译：反应堆辅助湍流槽燃烧器对正庚烷/空气湍流预混火焰着火化学的研究
2. Effects of ozone on n-heptane low temperature chemistry and premixed cool flames [J] . Brown Matthew Q., Belmont Erica L. Combustion and Flame . 2021,第Mara期

机译：臭氧对正庚烷低温化学和预混酷火焰的影响
3. Computational studies of diffusion cool flame structures of n-heptane with/without ozone sensitization with a reduced chemistry [J] . Sohn Chae Hoon, Son Jin Woo, Won Sang Hee, Journal of Mechanical Science and Technology . 2015,第3期

机译：具有/不具有臭氧增感的正庚烷扩散冷却火焰结构的化学计算研究
4. n-Heptane cool flame chemistry: unraveling intermediate species measured in a stirred reactor and motored engine [C] . Zhandong Wang, Bingjie Chen, Kai Moshammer, Asia-Pacific Conference on Combustion . 2018

机译：N-庚烷冷火焰化学：在搅拌反应器和电动发动机中测量的解开中间物种
5. A STUDY OF VELOCITIES AND TURBULENCE INTENSITIES MEASURED IN FIRING AND MOTORED ENGINES (LASER, COMBUSTION). [D] . HALL, MATTHEW JOHN. 1987

机译：对射击和机动发动机（激光，燃烧）中测得的速度和湍流强度的研究。
6. Detection of some stable species during the oxidation of methane by coupling a jet-stirred reactor (JSR) to cw-CRDS [O] . Chiheb Bahrini, Olivier Herbinet, Pierre-Alexandre Glaude, -1

机译：通过联接喷射搅拌的反应器（JsR）甲烷的氧化过程中的一些稳定物质的检测到CW-CRDs
7. n-Heptane cool flame chemistry: Unraveling intermediate species measured in a stirred reactor and motored engine [O] . Zhandong Wang, Bingjie Chen, Kai Moshammer, 2018

机译：N-庚烷冷火焰化学：在搅拌反应器和电动发动机中测量的解开中间物种
8. Combustion of n-heptane in a shock tube and in a stirred reactor: A detailed kinetic modeling study [R] . Gaffuri, P. , Curran, H. J. , Pitz, W. J. , 1995

机译：在激波管和搅拌反应器中燃烧正庚烷：详细的动力学模型研究

n-Heptane cool flame chemistry: Unraveling intermediate species measured in a stirred reactor and motored engine

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