Better and more intelligently formulated CO2 absorbents

The main target for this project is to develop a model for prediction of amine solutions? affinity for carbon dioxide based structural formula and basic data for these. This will contribute to a faster but still reliable evaluation of such molecules? potential as absorbents without the need to perform extensive and expensive laboratory work. There are two angles to this work. The first is to obtain an understanding of the chemistry involved at a molecular level. This is to a large extent based on measuring basic data for the chemistry, but also to evaluate this theoretically. The second angle is to measure these solutions? affinity for CO2 as determined by laboratory work. All these results are combined through the use of mathematical models where the parameters are found by regression analysis, and where these parameters are in the end correlated against the basic data for the molecules involved. In 2015-16 the project has developed a CO2 affinity model for two classes of amines (primary and tertiary). The model calculates the full speciation of components in the liquid, molecules as well as ions. So far the model is in need of a limited amount of data from CO2 solubility and NMR measurements for the system as input.

The project targets are 1. Improving the understanding of the phenomena of the CO2 absorption process, including the reaction mechanisms 2. Develop predictive equilibrium models for CO2 absorpion based on a mechanistic understanding in conjunction w ith a minimum of laboratory measurements 3. Identification of a new, competitive absorbent systems that will reduce energy requirement for CO2 desorption and compression. It is planned to investigate new carbonate based absorbants through cation tailori ng and cation ligand development. In addition the mechanism of industrial relevant CO2 mass transfer promoters shall be investigated. In order to speed up development and improve the chemist/chemical engineer interface new predictive equilibrium models for CO2 absorption shall be developed through improved absorption mechanism understanding and measurement.