Molecular-Level Understanding of Municipal Solid Waste Thermo-Catalytic Valorization (Wasteomics)


Wasteomics studies the thermo-catalytic valorization of municipal solid waste at the molecular level. Advanced analytics, miniaturized pyrolysis-catalysis reactors, data mining, reactive molecular dynamics, and microkinetic modeling are combined to map reaction networks and the formation of char and coke [110, 194].

  • Bridging model compounds and real waste feeds [110]
  • Kinetics of plastic-derived oils and blends [195, 172, 143]
  • Data-driven reaction networks [82]
  • Coke formation from waste feeds [92, 86]

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Molecular-Level Analytical Platform for Quasi-quantitative Characterization of Bio-oils from a Commercial Biorefinery

by Zambrano, Lezcano, Hita, Gerritsen, Venderbosch, Castaño
Energy & Fuels Year: 2025 DOI: https://doi.org/10.1021/acs.energyfuels.4c05619

Abstract

Understanding oxygenate transformations during biomass valorization and bio-oil upgrade processes is critical in developing viable, sustainable, and competitive biorefineries. This study introduces a comprehensive analytical platform to clarify the intricate quantitative composition and chemistry of bio-oils across hydrodeoxygenation stages. This platform provides a detailed composition resolution at the molecular and quasi-quantitative levels by integrating data from multiple analytical techniques. The approach involves validating the results using interapparatus relationships and innate compounds as internal standards, merging them into quasi-quantitative data sets representing the entire mixture. A crucial focus of this platform is applying high-resolution mass spectrometry under various ionization conditions to elucidate high molecular weight structures, particularly those with varying oxygen-containing functional groups. This work offers insight into the complex chemical transformations in biorefinery.

Keywords

ANW W2C HPC