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

Characterization and Controlled Combustion of Carbonaceous Deactivating Species Deposited on an Activated Carbon-Based Catalyst

by Cordero-Lanzac, Hita, Veloso, Arandes, Rodriguez-Mirasol, Bilbao, Cordero, Castaño
Chem. Eng. J. Year: 2017

Abstract

The composition of the carbonaceous deactivating species (coke) deposited on a Pt and Pd supported P-containing activated carbon catalyst has been studied. These deactivating species were deposited on the catalyst during the hydrocracking of scrap tire pyrolysis oil at 400–500 °C, and it has been selectively characterized by means of temperature-programmed oxidation (TPO), temperature-programmed desorption/gas chromatography (TPD/GC) and laser desorption-ionization/mass spectroscopy (LDI/MS). In addition, the evolution of the textural properties and the acidity of the deactivated catalysts have been evaluated. The high thermal and oxidation resistance of the catalytic support has allowed to combust the coke in the TPO and calculate its intrinsic activation energy as a function of the extent of the combustion. Combined TPO and LDI/MS results have shown that an increase in the hydrocracking temperature attenuates the catalyst deactivation due to the hydrocracking of coke precursors. Coke aging, by evolving towards a more condensed structure, is also favored at higher hydrocracking temperatures. The combustion of the most condensed coke requires of higher temperatures than 375 °C, which hinders the complete regeneration of the activated carbon-based catalyst.

Keywords

HPC W2C ANW