PEFTEC - Abstract

Abstract Title: ASAP-HRMS: A Rapid tool for Petrochemicals & Polymer Characterization
Abstract Type: Seminar
Session Choice: Analytical
Presenter Name: Dr Anupam Giri
Company/Organisation: SABIC
Country: Netherlands

Abstract Information :

High-Resolution Accurate-Mass (HR-AM) capabilities combined with automated processing steps like data alignment and isotope matching provides a detailed composition of wide range of matrices. This work therefore aimed at exploring the applicability of High-Resolution Atmospheric Solids Analysis Probe Mass Spectrometry (ASAP-MS) as a rapid tool to characterize petrochemicals and polymer additives, its degradation products, and impurities etc. The ionization of hydrocarbons and heteroatom-containing compounds in diverse polymers and liquid hydrocarbons was studied for ASAP-HRMS. Data visualization tools were developed to convert MS raw data to mass spectra and KMD plots to enable data interpretation. Pi-ASAP-MS (+ve mode) was found to reveal nonpolar species in semi-solid or solids matrices like hydrocarbons with heteroatom-containing compounds (Ox and NOx), whereas Ni-ASAP-MS (-ve mode) exhibited higher selectivity towards higher-mass heteroatom-containing compounds (>400 Da). In general, at positive (+ve) mode as a result of charge transfer, proton transfer and hydride abstraction M+, M+H, and M-H were obtained, respectively. Whereas, at negative (–ve) mode, proton abstraction and electron capture generated M-H and M- ions, respectively. ASAP-MS shows promising use to rapidly find differences between similar samples, such as differently aged samples, among different processes or for competitive analysis to discover unknowns. In addition, it can be used to identify repeating series like those of hydrocarbons (CH2 repeat unit), which can be especially useful in polymer analysis. In addition, polar substances like additives in apolar polymer matrices can be well visualized by this technique and will be discussed.