Petroleum Characterization using High Resolution Time-of-Flight Mass Spectrometry
Jeffrey S. Patrick
Friday, June 28, 2013
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Chapters
Introduction
ThoMSon Lab and LECO
Outline of the API HR TOF MS Talk
Challenges and Needs for Petroleum Characterization
Analytical Techniques
Why Mass Spectrometry?
High Resolution Time-of-flight Mass Spectrometry (HRT) with Folded Flight Path (FFPTM) Technology
HRT Comparison with Trapping FT Instruments
Spectral Peak Capacity – Information Content
Direct Infusion ESI-HRMS
Experimental
Spectral Comparison – ESI(+) FTMS & HRTOF
MS Performance
Mass Accuracy and Resolving Power Stability (HRT)
Observed Resolving Power (HRT)
Largest Theoretically Resolvable C3 - SH4 Isobars
Close-up from 400 to 428
HRT Accurately Records Disparate Isobars
Homologous Series of Resolved Positive Isobars
Characterizing Crude by Heteroatom Classes
Information Relevant to Customer:RDBE Distribution within the O2 Class
Information Relevant to Customer:RDBE vs. Carbon Number Plot
Comparative Information Content – Heteroatoms (ESI(-))
Evaluation of DBE – N class (ESI(+))
Ability to Differentiate Heteroatomic Composition HRT
Conclusions
Petroleum Analysis with the Pegasus GC-HRT
Analysis of Crude Oil Samples
Challenges of Petroleum Analysis
Samples: Light Crude Oil
Nigerian Light: Aromatics
Nigerian Light: PAHs
Nigerian Light: Molecule Safari
Light Crude Oil vs. Supplemented Biodiesel Using GC-HR-TOFMS
Mass Accuracy and Deconvolution
Hopane/Sterane Analysis using HR-TOF-MS
Chemical Ionization
Jet Fuel Out, CI-HRT: n-Alkanes
CI-HRT: n-Alkanes Spectra
Petroleum: Jet Fuel Sample
CI-HRT: O, S Compounds
Conclusions
Thank You
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