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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Related Publications

Fuel production via catalytic cracking of pre-hydrotreated heavy-fuel oil generated by marine-transport operations

by Izaddoust, Hita, Zambrano, Trueba, Palos, Zhang, Epelde, Arandes, Castaño
Fuel Year: 2022 DOI: https://doi.org/10.1016/j.fuel.2022.124765

Abstract

We examine the conversion of heavy-fuel oil waste generated by marine-transport operations into drop-in transportation fuels. The proposed conversion process comprises two steps: (i) hydrotreatment and (ii) fluid catalytic cracking (FCC) under industrially relevant conditions. CoMo/Al2O3 is employed as the catalyst for hydrotreating, primarily aimed at sulfur reduction. In the second stage, a highly intensive study of the FCC over an equilibrated steamed zeolite catalyst is performed. We provide a complete analytical overview of all the products and byproducts of these two reactions, including the coke deposited over the FCC catalysts using various characterization techniques, including high-resolution mass spectrometry. The hydrotreatment eliminates 67% of sulfur present in the original ship oil, while the cracking yields up to 47 wt% high-quality gasoline, containing 37 wt% aromatics, and 23 wt% i-paraffins. Based on the molecular-level characterization of the formed coke species and the performed parametric study, this work provides insights into the optimum operational conditions for minimizing coke deposition and improving the gasoline yield and quality.

Keywords

FCC HPC ANW