Projects

Unrevealing the mechanisms involved when producing biodiesel from waste oil using a combined experimental and theoretical methodology (UNPRECEDENTED)

UNPRECEDENTED will use a combine methodology of experimental data and theoretical modelling (DFT based calculations) to study and fully comprehend the biodiesel production reaction.

prosjekt

About/Aims
Background

40% reduction on emissions should be achieved by 2030 within EU with the outstanding goal for Europe to become the first climate neutral continent by 2050. These goals need to be reached without jeopardizing economic development and growth, and simultaneously fulfilling the UN goals for sustainability.

One of the main contributors to climate change and global warming is emissions from our vehicles as these mainly use petroleum-based fuels. To address this, new approaches, methodologies, and technologies must be developed.

Biodiesel is one option to substitute diesel; however, its production has been controversial since it requires the use of edible oils and thus creates conflicts with the production of food crops, making it less attractive. Because of this problem, newer technologies are being developed to treat lower quality nonedible oils. However, as yet, these are not economically viable.

Objective

To address these problems, UNPRECEDENTED will focus on the use of waste oil. This new raw material has been tested experimentally with promising results. However, how the reaction is taking place and the steps involved is far from being understood. This lack of knowledge has a negative effect when selecting new technologies or testing new feedstocks.

UNPRECEDENTED will use a combine methodology of experimental data and theoretical modelling (DFT based calculations) to study and fully comprehend the biodiesel production reaction. This methodology will permit a full understanding of the reactive steps involved, the reaction pathway that is followed as well as the energies involved in each reactive step. This methodology will assess for the conversion of waste oil in the presence of renewable alcohols to produce biodiesel when using new catalytic materials that are biobased, produce from renewable sources, and enriched with glycerol.

Main objectives:

  1. Implementation of Density of Functional Theory models, based on experimental data, to assist in unrevealing the kinetics mechanism involved in the production of biodiesel.
  2. Development of a nano-scale metal oxide-based catalysts enriched with glycerol for the upgrading of different waste oil
  3. The use of experimental data combined DFT simulations will allow us a better understanding of the properties of the catalytic materials developed.

Pages