首页> 外文学位 >Molecular beam mass spectrometry measurement of 1-butene pyrolysis and combustion products: Stable and active species profiles, and, Combustion modeling of benzene, phenol, anisole and cyclopentadiene thermodynamic parameters and elementary reaction kinetic mechanism.
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Molecular beam mass spectrometry measurement of 1-butene pyrolysis and combustion products: Stable and active species profiles, and, Combustion modeling of benzene, phenol, anisole and cyclopentadiene thermodynamic parameters and elementary reaction kinetic mechanism.

机译:1-丁烯热解和燃烧产物的分子束质谱测量:稳定的活性物种分布图,以及苯,苯酚,苯甲醚和环戊二烯的热力学参数和基本反应动力学机理的燃烧模型。

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摘要

A molecular-beam-sampling mass spectrometric apparatus (MBMS) is modified for on line analysis of combustion product; reactive intermediates/radicals and stable species, in a flow tube reactor at reduced pressures and elevated temperatures. This apparatus utilizes both a vacuum ultraviolet (VUV) photoionization time-of-flight mass spectrometer (TOF) and an electron impact (EI) ionization quadrupole mass spectrometer (QMS). The molecular beam is shaped by a series of skimmers from a low pressure, fully developed laminar flow coupled soft Mach number expansion and transfers the combustion products from the reactor to the analysis apparatus. The component mole fraction is conserved in the sampling process. The 1-butene pyrolysis and combustion products versus reactor temperature are ionized, separated and analyzed by the dual mass spectrometers.; The molecular beam quadrupole mass spectrometer (QMS) with a head on axial ionizer was calibrated directly for the hydrocarbons and oxygenated hydrocarbons in the reactor Measurements of the QMS sensitivity of stable hydrocarbons lead to the relative ionization efficiency which can be successfully predicted by the standard 70 ev electron impact ionization cross sections. Mole fractions of radicals in the reactor were estimated from the standard 70 ev electron impact ionization cross section group additivity approach. The relative ionization efficiency of radicals are obtained from the precursory molecules for which direct calibration was made.
机译:改进了分子束采样质谱仪(MBMS),用于燃烧产物的在线分析;在减压和高温下在流管式反应器中反应性中间体/自由基和稳定物质。该设备利用真空紫外(VUV)光电离飞行时间质谱仪(TOF)和电子碰撞(EI)电离四极质谱仪(QMS)。分子束由一系列撇油器从低压,完全展开的层流耦合的软马赫数膨胀中成形,并将燃烧产物从反应器转移到分析设备。组分摩尔分数在采样过程中得以保留。 1-丁烯热解和燃烧产物与反应器温度的关系通过双质谱仪进行离子化,分离和分析。带有轴向电离器头的分子束四极质谱仪(QMS)直接针对反应器中的碳氢化合物和含氧碳氢化合物进行了校准。稳定碳氢化合物的QMS灵敏度测量导致相对电离效率,这可以通过标准70成功预测。 ev电子碰撞电离截面。反应器中自由基的摩尔分数是根据标准的70 ev电子碰撞电离截面基团加和法估算的。自由基的相对电离效率从对其进行直接校准的前驱分子中获得。

著录项

  • 作者

    Zhong, Xian.;

  • 作者单位

    Rutgers The State University of New Jersey - Newark.;

  • 授予单位 Rutgers The State University of New Jersey - Newark.;
  • 学科 Chemistry Physical.
  • 学位 Ph.D.
  • 年度 1998
  • 页码 441 p.
  • 总页数 441
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 物理化学(理论化学)、化学物理学;
  • 关键词

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