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Abstract:
The demand for affordable and large-scale energy throughout the world drives people to focus on the fossil-based materials continuously; meanwhile, the depletion of light sweet crude oils has led to an increase in refining the unconventional and heavier petroleum feedstocks. However, the unwanted presence of heteroatoms (sulfur, nitrogen and oxygen)-containing compounds in heavier crude oils causes poisoning of refining catalysts and harms the environment after combustion. A better understanding of crude oil composition is the beginning to develop new methods to lower the heteroatoms content of fuels efficiently. High Resolution Mass Spectrometry (HRMS), such as Fourier Transforms Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) and High-field Orbitrap (HF Orbitrap) FTMS, has emerged as a powerful and valuable tool for detailed analysis of supercomplex crude oil mixtures at a molecular level. Even though the extraordinary complexity of crude oil and the inherent space charge effects in the ICR-cell as well as the ionization discrimination make it impossible to fully characterize crude oils. Selective analysis of crude oil is significant to gain a better understanding of the material. Electrospray Ionization Mass Spectrometry (ESI-MS) has proven efficient for the analysis of polar compounds in petroleum. This study is focusing on developing different derivatization techniques in combination with ESI-MS to characterize selectively the complex crude oil mixtures. In turn, the mechanistic studies of reactions promote a deeper exposition and better employment of the electrochemical character of ESI-MS. Theoretical calculations based on Quantum Mechanics (QM) as well as Proton Nuclear Magnetic Resonance (1HNMR) facilitate the illustration of reaction mechanism. The combination of analytical chemistry together with organic chemistry, electrochemistry and theoretical chemistry offers an efficient way to gain better understanding of complex crude oil mixtures.
