首页> 外文会议>International Conference on Stability, Handling and Use of Liquid Fuels >EXPLORING JET FUEL THERMAL OXIDATIVE DEPOSITION THROUGH STATISTICAL ANALYSIS OF MASS SPECTRAL DATA AND CHARACTERIZATION OF QUARTZ CRYSTAL MICROBALANCE DEPOSITS
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EXPLORING JET FUEL THERMAL OXIDATIVE DEPOSITION THROUGH STATISTICAL ANALYSIS OF MASS SPECTRAL DATA AND CHARACTERIZATION OF QUARTZ CRYSTAL MICROBALANCE DEPOSITS

机译:通过质谱数据统计分析探索喷射燃料热氧化沉积及石英晶体微沉积沉积物的表征

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In previous research,jet fuel samples with well-defined thermal oxidation stability (measured by ASTM D3241) were analyzed by liquid chromatography/mass spectrometry (LC/MS) with electrospray ionization which allowed for the detection of polar molecules in the fuel.1 A variety of statistical tools were applied to the LC/MS data utilizing Mass Profiler Professional (Agilent Technologies) leading to the identification of significant ions that correlated to the thermal oxidation stability of the jet fuels.Elemental compositions were calculated for the significant ions,sometimes leading to library matches,that fit with compounds implicated in the Soluble Macromolecular Oxidatively Reactive Species (SMORS) model for deposit formation in middle distillate fuel.To further explore the results from the previous study,LC/MS was performed on a set of samples before and after thermal oxidative stressing (TOS) in a quartz crystal microbalance (QCM) reactor.Statistical analysis of LC/MS data from before and after TOS in the QCM was performed to identify changes in the molecular composition.In most cases,it was possible to collect the deposits that formed in the QCM for further analysis.To better understand the composition of the deposits,they were analyzed by pyrolysis gas chromatography/mass spectrometry (Py-GC/MS).This allowed for thermolytic cleavage of chemical bonds,breaking the deposits back down into their fundamental components.These data show that the deposits are primarily composed of the same molecules that were shown to be significant during the statistical analysis of LC/MS data.There are some outliers in the data that do not necessarily fit the SMORS model as previously described and require further investigation,possibly suggesting additions or changes to certain aspects of the model.
机译:在先前的研究中,通过液相色谱/质谱(LC / MS)分析具有明确定义的热氧化稳定性(通过ASTM D3241测量的热氧化稳定性(LC / MS)的喷射燃料样品,电喷雾电离允许检测燃料中的极性分子利用大规模分析器专业(安捷伦技术)应用各种统计工具,用于鉴定与喷射燃料的热氧化稳定性相关的重要离子。为重要离子计算时性组合物,有时是领先的对于图书馆匹配,其与中间馏分燃料中沉积物形成的可溶性大分子氧化反应性物质(SMORS)模型相适合。进一步探讨先前研究的结果,在一组样品上进行LC / MS在一组样品上进行在石英晶体微稳压(QCM)反应器中的热氧化应力(TOS)之后。来自LC / MS数据的统计分析进行QCM中的TOS之前和之后进行鉴定分子组合物的变化。大多数情况下,可以收集在QCM中形成的沉积物进行进一步的分析。更好地理解沉积物的组成,它们被分析热解气相色谱/质谱/质谱(Py-GC / MS)。允许化学键的热解裂解,将沉积物断开到它们的基本组件中。这些数据表明沉积物主要由相同的分子组成在LC / MS DATA的统计分析期间是重要的。数据中的一些异常值不一定像先前描述的一样符合SMOS模型,并且需要进一步调查,可能会暗示模型的某些方面的添加或改变。

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