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

Related People

Related Covers

Related Publications

Deactivating Species Deposited on Pt-Pd Catalysts in the Hydrocracking of LCO

by Castaño, Gutierrez, Hita, Arandes, Aguayo, Bilbao
Energy & Fuels Year: 2012

Abstract

The nature and composition of the coke deposited on Pt–Pd catalysts supported on acid carriers during the hydroprocessing (hydrocracking and hydrotreating) of light-cycle oil (LCO) has been studied. Five types of supports have been used: a commercial cracking catalyst, alumina, Hβ zeolite, and two HY zeolites (with different acidities). The hydrocracking runs have been performed at 350 °C and 50 bar for up to 24 h. The characterization of the deactivating species on the catalyst used has been performed using temperature-programmed oxidation (TPO) coupled with mass spectrometry (MS) and Fourier transformed infrared (FTIR) spectroscopy, ultraviolet–visible (UV–vis) spectroscopy, and comprehensive two-dimensional gas chromatography/mass spectrometry (GC × GC/MS) analysis of the soluble coke extracted from the deactivated catalyst. The complex composition of the coke has been simplified in three families, each related to a different composition and location. The composition of the coke (and the amount of each type of coke) strongly depends upon the catalyst properties, particularly the features of the support: acidity and micropore topology.

Keywords

HPC W2C ANW