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Abstract
A major limitation of amine-based post-combustion carbon capture technology is the necessity to regenerate amines at high temperatures, which dramatically increases the operating costs. This paper concludes the effect of solvent choice as a possible route to modify the thermodynamics and kinetics characterizing the involved amine 6 regeneration reactions, and discusses whether these modifications can be economically beneficial. We report experimentally-benchmarked computational chemistry calculations of monoethanolamine (MEA) regeneration reactions employing aqueous and non-aqueous solvents with a wide range of dielectric constants. Unlike previous studies, our improved computational chemistry framework could accurately reproduce the right experimental activation energy of zwitterion formation. From the predicted reactions thermodynamics and kinetics, the use of non-aqueous solvents with small dielectric constants led to reductions in regeneration Gibbs free energies, activation barriers and enthalpy changes. This can reduce energy consumption, and gives an opportunity to run desorption columns at relatively lower temperatures, thus offering the possibility of relying on low-grade waste heat as an energy input.
Original language | English |
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Article number | 014501 |
Number of pages | 14 |
Journal | The Journal of Chemical Physics |
Volume | 160 |
Issue number | 1 |
Early online date | 2 Jan 2024 |
DOIs | |
Publication status | Published - 7 Jan 2024 |
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Dive into the research topics of 'Solvent-mediated modification of thermodynamics and kinetics of monoethanolamine regeneration reaction in amine-stripping carbon capture: computational chemistry study'. Together they form a unique fingerprint.Projects
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A compact CO2 capture process to combat industrial emissions
Fan, X., Ahn, H., Sweatman, M. & Ahn, H.
1/05/16 → 31/07/20
Project: Research