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

Upgrading Model Compounds and Scrap Tires Pyrolysis Oil (STPO) on Hydrotreating NiMo Catalysts with Tailored Supports

by Hita, Gutierrez, Olazar, Bilbao, Arandes, Castaño
Fuel Year: 2015

Abstract

The upgrading of Scrap Tire Pyrolysis Oil (STPO) has been studied in order to remove undesired sulfur, nitrogen and unsaturated compounds while improving the properties of its different fractions (naphtha, diesel and gasoil) toward being used as a potential blend in the refinery. The studied catalysts are NiMo supported on 5 porous materials: γ-Al2O3 (ALM catalyst), SiO2–Al2O3 (ASA), SBA-15 (SBA), MCM-41 (MCM) and an equilibrated FCC catalyst (FCC). The hydrotreating runs have been carried out in a fixed bed reactor at 275–375 °C and 65 bar. The catalysts were characterized by ICP-AES, N2 adsorption–desorption isotherms, H2 chemisorption, XRD, XPS, TPR and terc-butylamine adsorption–desorption (TPD). A preliminary catalyst screening with a model mixture of representative STPO compounds has been performed for selecting the most active catalysts: ALM, ASA and MCM catalysts ensured the 99.9% removal of sulfur. Secondly and in the hydrotreating of STPO, our results point the suitability of ASA catalyst for obtaining the highest proportion of naphtha (25 wt%) and diesel (57 wt%), ALM catalyst for increasing the yield of paraffins and the cetane number in diesel, and the promising performance of MCM catalyst for facilitating internal mass transfer.

Keywords

HPC W2C ANW HCE