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1. 发明申请

WO2006121878A2 A NEW DATA PROCESSING/VISUALIZATION METHOD FOR TWO(MULTI)DIMENSIONAL SEPARATION GAS CHROMATOGRAPHY xMASS SPECTROMETRY(GCxMS) TECHNIQUE WITH A TWO (MULTIPLY) DIMENSIONAL SEPARATION CONCEPT AS AN EXAMPLE 审中-公开
标题翻译：一种新的数据处理/可视化方法，用于两（多）维尺度分离气相色谱XMASS光谱（GCxMS）技术，具有两个（多个）尺寸分离概念，作为实施例
公开(公告)号：WO2006121878A2
公开(公告)日：2006-11-16
申请号：PCT/US2006017446
申请日：2006-05-05
申请人： EXXONMOBIL RES & ENG CO , WANG FRANK C , QIAN KUANGNAN
发明人： WANG FRANK C , QIAN KUANGNAN
IPC分类号： G06F19/00
CPC分类号： G01N30/8651 , G01N30/463 , G01N30/72 , G01N2030/8854 , Y10T436/11
摘要： This invention is a data processing/visualization method which includes the software development and operation to apply to any multi- dimensional separation. The GC-MS analysis of diesel is an example to demonstrate this software development and operation. The steps of this method includes (1) displaying the total ion chromatogram obtained from a GC-MS experiment, (2) displaying each mass spectrum versus retention time, (3) selecting a normal paraffin family as the reference compound family for relative polarity display, (4) transforming every mass slice to line-up normal paraffin compound family in the same relative retention time (position), (5) rotating the axis to best display the two (multi) dimensional data.
摘要翻译：本发明是一种数据处理/可视化方法，其包括应用于任何多维分离的软件开发和操作。柴油的GC-MS分析是演示该软件开发和运行的一个例子。该方法的步骤包括（1）显示从GC-MS实验获得的总离子色谱图，（2）显示每个质谱对保留时间，（3）选择正常的石蜡族作为参考化合物族用于相对极性显示，（4）在相同的相对保留时间（位置）中将每个质量切片转化为正常石蜡复合家族，（5）旋转轴以最佳显示两（多）维数据。

2. 发明申请

WO2007061935A3 MICRO-HYDROCARBON ANALYSIS 审中-公开
标题翻译：微油分析
公开(公告)号：WO2007061935A3
公开(公告)日：2009-05-07
申请号：PCT/US2006044843
申请日：2006-11-17
申请人： EXXONMOBIL RES & ENG CO , QIAN KUANGNAN , OLMSTEAD WILLIAM N , ENGLISH JASON B , GREEN LARRY A , SAEGER ROLAND B , JAFFE STEPHEN B
发明人： QIAN KUANGNAN , OLMSTEAD WILLIAM N , ENGLISH JASON B , GREEN LARRY A , SAEGER ROLAND B , JAFFE STEPHEN B
IPC分类号： H01J49/00
CPC分类号： G01N33/28 , G01N30/7206 , G01N2030/8854
摘要： The present invention is a method to determine the composition of a hydrocarbon feedstream from a small sample of hydrocarbons including the steps analyzing the sample with a combination of chromatograph and mass spectrometer, and reconciling output from step a) with other analytical measurements to determine to determine the composition of the hydrocarbon feedstream.
摘要翻译：本发明是一种从小型烃类样品中确定烃类进料流的组成的方法，包括用色谱仪和质谱仪的组合分析样品的步骤，以及调节步骤a）的输出与其他分析测量结果，以确定烃进料流的组成。

3. 发明申请

WO2012082504A4 DETERMINATION OF CORES OR BUILDING BLOCKS AND RECONSTRUCTION OF PARENT MOLECULES IN HEAVY PETROLEUMS AND OTHER HYDROCARBON RESOURCES 审中-公开
标题翻译：确定重要石油和其他碳氢化合物资源中的核心或建筑物块和重新分配母体分子
公开(公告)号：WO2012082504A4
公开(公告)日：2012-10-04
申请号：PCT/US2011063860
申请日：2011-12-08
申请人： EXXONMOBIL RES & ENG CO , QIAN KUANGNAN , EDWARDS KATHLEEN E , MENNITO ANTHONY S , FREUND HOWARD
发明人： QIAN KUANGNAN , EDWARDS KATHLEEN E , MENNITO ANTHONY S , FREUND HOWARD
IPC分类号： G01N33/28 , H01J49/00 , H01J49/16
CPC分类号： H01J49/0045 , Y10T436/24
摘要： The present application uses controlled fragmentation of parent molecular ions inside a mass spectrometer to determine aromatic cores or building block distribution of a petroleum resid. Various soft ionization methods, such as atmosphere pressure photoionization (APPI), atmospheric pressure chemical ionization (APCI), electrospray ionization (ESI), and MALDI etc. are used to generate molecular ions or pseudo -molecular ions. Ultra high resolution mass spectrometry by FTICR-MS provides elemental formulae of all ions. Parent ions are then fragmented inside the mass spectrometer to generate building block information using especially collision induced association (CID). The location of the fragmentation can be in a quadropole trap before the ICR cell or inside the ICR cell. By controlling the collision energy, fragementation can be restricted to only aliphatic bonds. So aromatic structures can be assigned to the fragments. In particular, by monitoring changes in the degree of unsaturation (Z -number or DBE) on fragmentation, it becomes possible to distinguish between single and multi-core species. Thus building block distributions can be determined by the technique and the composition of the resid generated from these building blocks.
摘要翻译：本申请使用质谱仪内的母体分子离子的受控碎裂来确定石油渣的芳香核心或构建块分布。使用大气压光电离（APPI），大气压化学电离（APCI），电喷雾电离（ESI）和MALDI等各种软电离方法产生分子离子或假分子离子。通过FTICR-MS的超高分辨率质谱法提供所有离子的元素配方。然后，母体离子在质谱仪内分裂，以产生使用特别是碰撞诱导缔合（CID）的构建块信息。碎片的位置可以在ICR细胞之前或ICR细胞内的四极陷阱中。通过控制碰撞能量，分裂可以仅限于脂肪键。所以芳香结构可以分配给片段。特别地，通过监测不稳定度（Z-数或DBE）在分段上的变化，可以区分单核和多核物种。因此，构建块分布可以通过从这些构建块生成的技术和残差的组成来确定。

4. 发明申请

WO2007021953A3 MEASUREMENT OF DISTRIBUTED TOTAL ACID NUMBERS OF A HYDROCARBON FEEDSTREAM BY ELECTROSPRAY MASS SPECTROMETRY 审中-公开
标题翻译：通过电喷雾质谱分析测定烃类饲料的总酸值
公开(公告)号：WO2007021953A3
公开(公告)日：2007-11-22
申请号：PCT/US2006031408
申请日：2006-08-11
申请人： EXXONMOBIL RES & ENG CO , QIAN KUANGNAN , EDWARDS KATHLEEN E , DECHERT GARY JAMES , JAFFE STEPHEN B , GREEN LARRY A , OLMSTEAD WILLIAM N
发明人： QIAN KUANGNAN , EDWARDS KATHLEEN E , DECHERT GARY JAMES , JAFFE STEPHEN B , GREEN LARRY A , OLMSTEAD WILLIAM N
IPC分类号： G01N24/00 , G01N33/24
CPC分类号： G01N33/2876 , Y10T436/218 , Y10T436/24
摘要： The present invention is a method to determine the TAN and TAN as a function of boiling point for a hydrocarbon feedstream using an electrospray ionization mass spectrometer (ESI-MS). The steps of the method include determining the signal as a function of mass from the ESI-MS while minimizing the formation of oligomers and fragmentation of the molecular species in the feedstream and then determining the TAN from the signals. The TAN is also determined as a function of boiling point.
摘要翻译：本发明是使用电喷雾离子化质谱仪（ESI-MS）测定作为烃类进料流的沸点的函数的TAN和TAN的方法。该方法的步骤包括从ESI-MS确定信号作为质量的函数，同时最小化低聚物的形成和原料流中分子物质的碎裂，然后从信号确定TAN。 TAN也被确定为沸点的函数。

5. 发明申请

WO2012082504A3 DETERMINATION OF CORES OR BUILDING BLOCKS AND RECONSTRUCTION OF PARENT MOLECULES IN HEAVY PETROLEUMS AND OTHER HYDROCARBON RESOURCES 审中-公开
标题翻译：重石油和其他烃类资源中岩心或建筑块的确定和重建分子分子
公开(公告)号：WO2012082504A3
公开(公告)日：2012-08-09
申请号：PCT/US2011063860
申请日：2011-12-08
申请人： EXXONMOBIL RES & ENG CO , QIAN KUANGNAN , EDWARDS KATHLEEN E , MENNITO ANTHONY S , FREUND HOWARD
发明人： QIAN KUANGNAN , EDWARDS KATHLEEN E , MENNITO ANTHONY S , FREUND HOWARD
IPC分类号： G01N33/28 , H01J49/00 , H01J49/16
CPC分类号： H01J49/0045 , Y10T436/24
摘要： The present application uses controlled fragmentation of parent molecular ions inside a mass spectrometer to determine aromatic cores or building block distribution of a petroleum resid. Various soft ionization methods, such as atmosphere pressure photoionization (APPI), atmospheric pressure chemical ionization (APCI), electrospray ionization (ESI), and MALDI etc. are used to generate molecular ions or pseudo -molecular ions. Ultra high resolution mass spectrometry by FTICR-MS provides elemental formulae of all ions. Parent ions are then fragmented inside the mass spectrometer to generate building block information using especially collision induced association (CID). The location of the fragmentation can be in a quadropole trap before the ICR cell or inside the ICR cell. By controlling the collision energy, fragementation can be restricted to only aliphatic bonds. So aromatic structures can be assigned to the fragments. In particular, by monitoring changes in the degree of unsaturation (Z -number or DBE) on fragmentation, it becomes possible to distinguish between single and multi-core species. Thus building block distributions can be determined by the technique and the composition of the resid generated from these building blocks.
摘要翻译：本申请使用质谱仪内的母体分子离子的受控碎裂来确定芳族核心或石油渣油的积木分布。使用各种软电离方法，例如大气压光电离（APPI），大气压化学电离（APCI），电喷雾电离（ESI）和MALDI等来产生分子离子或假分子离子。 FTICR-MS的超高分辨率质谱提供了所有离子的元素分子式。然后，母离子在质谱仪内部碎裂以使用特别是碰撞诱导的关联（CID）生成构件块信息。碎片的位置可以位于ICR单元之前或ICR单元内的四极捕获器中。通过控制碰撞能量，裂纹可以仅限于脂肪键。因此可以将芳香族结构分配给碎片。特别是，通过监测碎裂中不饱和度（Z-数量或DBE）的变化，可以区分单核物种和多核物种。因此，积木分布可以通过由这些积木产生的渣油的技术和组成来确定。

6. 发明申请

WO2015061017A9 INTEGRATED HYDROCARBON ANALYSIS 审中-公开
标题翻译：综合油气分析
公开(公告)号：WO2015061017A9
公开(公告)日：2015-07-02
申请号：PCT/US2014058784
申请日：2014-10-02
申请人： EXXONMOBIL RES & ENG CO
发明人： WANG FRANK C , QIAN KUANGNAN , EDWARDS KATHLEEN E
IPC分类号： G01N30/46 , G01N30/72 , G01N30/86 , G01N33/28 , H01J49/16 , H01J49/44
CPC分类号： G01N30/72 , G01N30/463 , G01N30/7206 , G01N30/8682 , G01N33/28 , H01J49/168 , H01J49/446
摘要： Petroleum or other hydrocarbon samples can be analyzed in parallel by 1) GC-field ionization Time of Flight Mass Spectrometer (GC-FI-TOF MS) and 2) two dimensional gas chromatography (2D-GC) equipped with a flame ionization detector (FID). The combined techniques allow for improved quantitative characterization of the compounds within a hydrocarbon sample. The techniques can be combined by correlating the 2D-GC FID data with the GC-FI-TOF MS data based on correlation of compound classes, correlation of retention windows within a compound class, correlation of individual compounds, such as paraffins, or a combination thereof.
摘要翻译：石油或其他碳氢化合物样品可以通过1）GC-场电离飞行时间质谱仪（GC-FI-TOF MS）和2）配备有火焰离子化检测器（FID）的二维气相色谱（2D-GC））。组合技术允许改进烃样品内化合物的定量表征。基于化合物类别的相关性，化合物类别内保留时间的相关性，单个化合物如石蜡的相关性，或组合的方式，通过将2D-GC FID数据与GC-FI-TOF MS数据相关联，它们。

7. 发明申请

WO2004013601A3 A METHOD TO QUANTITATIVELY ANALYZE CONJUGATED DIENES IN HYDROCARBON FEEDS AND PRODUCTS AS AN INDICATOR OF FOULING POTENTIAL 审中-公开
标题翻译：一种量化分析碳氢化合物产品和产品的方法，作为潜在的潜力指标
公开(公告)号：WO2004013601A3
公开(公告)日：2004-07-01
申请号：PCT/US0321458
申请日：2003-07-08
申请人： EXXONMOBIL RES & ENG CO
发明人： QIAN KUANGNAN , EDWARDS KATHLEEN E , WANG FRANK C , SISKIN MICHAEL
IPC分类号： G01N27/62 , C10G75/04 , G01N20060101 , G01N21/76 , G01N24/00 , G01N30/02 , G01N30/04 , G01N30/06 , G01N30/72 , G01N30/74 , G01N30/86 , G01N30/88 , G01N33/00 , G01N33/24
CPC分类号： G01N33/2835 , Y10T436/21 , Y10T436/216 , Y10T436/24 , Y10T436/25
摘要： A method to quantify the conjugated dienes in a feedstream including the steps of derivatizing the dienes with MTAD by dissolving MTADin the feedstream, and determining the molar concentration of said conjugated dienes and/or the carbon number distribution of said conjugated dienes by GC/MS and GC/NCD analysis, as demonstrated on Figure 1.
摘要翻译：一种定量进料流中共轭二烯的方法，包括通过将进料流中的MTAD溶解，并通过GC / MS测定所述共轭二烯的摩尔浓度和/或所述共轭二烯的碳数分布来确定MTAD衍生化MTED的步骤，以及 GC / NCD分析，如图1所示。

8. 发明申请

WO2012083095A2 GENERATION OF MODEL-OF-COMPOSITION OF PETROLEUM BY HIGH RESOLUTION MASS SPECTROMETRY AND ASSOCIATED ANALYTICS 审中-公开
标题翻译：通过高分辨质谱分析和相关分析法生成石油模型
公开(公告)号：WO2012083095A2
公开(公告)日：2012-06-21
申请号：PCT/US2011065313
申请日：2011-12-16
申请人： EXOONMOBIL RES AND ENGINEERING COMPANY , QIAN KUANGNAN , EDWARDS KATHLEEN E , MENNITO ANTHONY S , SAEGER ROLAND B
发明人： QIAN KUANGNAN , EDWARDS KATHLEEN E , MENNITO ANTHONY S , SAEGER ROLAND B
IPC分类号： B01D59/44
CPC分类号： H01J49/0027 , G01N33/2835
摘要： A method to determine the model-of-composition of a vacuum resid wherein the resid is separated into eight fractions, saturates, aromatics, sulfides and polars by a combination of soft ionization methods.
摘要翻译：确定真空渣油的组成模型的方法，其中通过软电离方法的组合将残渣分离成八个馏分，饱和物，芳烃，硫化物和极性物。

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