Wasteomics ⇒ a workflow to analyze complex reaction environments, waste, and realistic feeds conversions



Problem statement

In most heterogeneous catalytic processes, the reactive environment contains a mixture of reactants, intermediates, and products, and some adsorbed-trapped on the catalytic surface and elsewhere. Thus, most reacting environments in catalysis are complex, involve several phases (multiphase), and comprise unstable species or are challenging to analyze. To make things worse, some of these species have (auto-)catalytic or deactivating nature on the kinetics of the surrounding ones.

A typical practice in catalysis is using model molecules or surrogates to deepen into the mechanistic pathways, microkinetics, spectroscopy, etc. Conversely, analytical techniques keep evolving, becoming more precise but always targeting a specific fraction or type of species. That is to say, there is only one technique that solves all.

We aim to bridge the fundamental research performed in our group and outside using model molecules with a powerful analytical multi-technique approach to analyze the entire reaction media. The -omics fields inspire us to reflect on the collective characterization and quantification of pools of molecules that translate into the structure, function, and dynamics involved. We apply our approach to hydrocarbon transformations and green-sustainable feedstock (i.e., waste plastics, sewage sludge, biomass, algae, and seaweed). We develop multi-technique analytical protocols for the complete chemical molecular-level description of complex mixtures.

Goals

  • Analytical workflow ⇒ multi-analytical technique integration
  • Wasteometrics I ⇒ quantitative- and molecular-level analysis
  • Wasteometrics II ⇒ data mining and processing
  • Wasteomics ⇒ reaction networks and kinetic modeling

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Linking microalgae characteristics with their fast pyrolysis products

by Lezcano, Gautam, Hita, Yerrayya, Aljaziri, Bastos de Freitas, Samaras, Lauersen, Sarathy, Castaño
J. Anal. Appl. Pyrolysis Year: 2025 DOI: https://doi.org/10.1016/j.jaap.2025.107170

Abstract

This study investigated the relationships between microalgal characteristics, reaction temperature, and pyrolysis products using eight microalgal species. Proximate, ultimate, and biochemical analyses were conducted to characterize these microalgae. Fast pyrolysis was performed in a Pyroprobe® coupled to a two-dimensional gas chromatograph and a time-of-flight mass spectrometer at 450–650 °C. The solid residues ranged from 14.9–59.1 % across all pyrolysis tests. The experimental dataset comprised 24 instances with 27 features, including microalgal composition, temperature, biochar yield, and product composition. Multivariate analyses were employed to interpret this dataset, including Pearson correlation analysis, principal component analysis (PCA), and canonical correlation analysis (CCA). Pearson correlation analysis showed biochar yields positively correlated with ash and moisture contents and negatively with volatile matter; proteins exhibited the highest charring tendency. PCA identified species-specific product patterns, e.g., Arthrospira (Limnospira) platensis was linked to nitrogenates and aromatics, while Odontella aurita produced sulfur compounds despite moderate sulfur content. PCA also indicated that oxygen and lipids were not key to aromatic formation. CCA revealed that the strong correlation between pyrolysis temperature and aromatics was partly due to protein content and highlighted a distinct link between chlorophyll content and alcohol production. Overall, this work highlights the potential of innovative microalgae as feedstocks for fast pyrolysis and emphasizes the utility and potential of multivariate tools for interpreting complex experimental datasets.

Keywords

ANW ALG