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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Direct analysis at temporal and molecular level of deactivating coke species formed on zeolite catalysts with diverse pore topologies
Catal. Sci. Technol. Year: 2023 DOI:https://doi.org/10.1039/D2CY01850K
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Oxidative desulfurization of model compounds and crude oil using Mo/Ti-DMSN catalyst and a detailed molecular characterization of sulfur species
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Fuel production via catalytic cracking of pre-hydrotreated heavy-fuel oil generated by marine-transport operations
Fuel Year: 2022 DOI:https://doi.org/10.1016/j.fuel.2022.124765
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Polymeric Waste Valorization at a Crossroads: Ten Ways to Bridge Research on Model and Complex/Real Feedstock
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Detailed nature of tire pyrolysis oil blended with light cycle oil and its hydroprocessed products using a NiW/HY catalyst
Energy Year: 2021 DOI:https://doi.org/10.1016/j.wasman.2021.04.041
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In-Depth Analysis of Raw Bio-Oil and Its Hydrodeoxygenated Products for a Comprehensive Catalyst Performance Evaluation
ACS Sustainable Chem. Eng. Year: 2020 DOI:https://doi.org/10.1021/acssuschemeng.0c05533
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Dynamics of carbon formation during the catalytic hydrodeoxygenation of raw bio-oil
Sustain. Energy Fuels Year: 2020 DOI:https://doi.org/10.1039/D0SE00501K
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Lessening coke formation and boosting gasoline yield by incorporating scrap tire pyrolysis oil in the cracking conditions of an FCC unit
Energy Conv. Manag. Year: 2020 DOI:https://doi.org/10.1016/j.enconman.2020.113327
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Screening hydrotreating catalysts for the valorization of a light cycle oil/scrap tires oil blend based on a detailed product analysis
Appl. Catal. B: Environ. Year: 2019
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