Imperial College London
Alternate

Prof Amparo Galindo

Faculty of Engineering, Department of Chemical Engineering

Co-Director Institute for Molecular Science and Engineering
 
 
 
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Contact

 

+44 (0)20 7594 5606a.galindo

 
 
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Location

 

604Roderic Hill BuildingSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Perdomo:2023:10.1016/j.fluid.2022.113635,
author = {Perdomo, FA and Khalit, SH and Graham, EJ and Tzirakis, F and Papadopoulos, AI and Tsivintzelis, I and Seferlis, P and Adjiman, CS and Jackson, G and Galindo, A},
doi = {10.1016/j.fluid.2022.113635},
journal = {Fluid Phase Equilibria},
pages = {1--27},
title = {A predictive group-contribution framework for the thermodynamic modelling of CO absorption in cyclic amines, alkyl polyamines, alkanolamines and phase-change amines: New data and SAFT- Mie parameters},
url = {http://dx.doi.org/10.1016/j.fluid.2022.113635},
volume = {566},
year = {2023}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - A significant effort is under way to identify improved solvents for carbon dioxide (CO) capture by chemisorption. We develop a predictive framework that is applicable to aqueous solvent + CO mixtures containing cyclic amines, alkyl polyamines, and alkanolamines. A number of the mixtures studied exhibit liquid–liquid phase separation, a behaviour that has shown promise in reducing the energetic cost of CO capture. The proposed framework is based on the SAFT- Mie group-contribution (GC) approach, in which chemical reactions are described via physical association models that allow a simpler, implicit, treatment of the chemical speciation characteristic of these mixtures. We use previously optimized group interaction parameters between some amine groups and water (Perdomo et al., 2021), and develop new group interactions for the cNH, cN, NH2, NH, N, cCHNH, and cCHN groups with CO2; a set of second-order group parameters are also developed to account for proximity effects in some alkanolamines. A combination of literature data and new experimental measurements for the absorption of CO2 in aqueous cyclohexylamine systems obtained in our current work, are used to develop and test the proposed models. The SAFT- Mie GC approach is used to predict the thermodynamics of selected mixtures, including ternary phase diagrams and mixing properties relevant in the context of CO2 capture. The current work constitutes a substantial extension of the range of aqueous amine-based solvents that can be modelled and thus offers the most comprehensive thermodynamically consistent platform to date to screen novel candidate solvents for CO2 capture.
AU  - Perdomo,FA
AU  - Khalit,SH
AU  - Graham,EJ
AU  - Tzirakis,F
AU  - Papadopoulos,AI
AU  - Tsivintzelis,I
AU  - Seferlis,P
AU  - Adjiman,CS
AU  - Jackson,G
AU  - Galindo,A
DO  - 10.1016/j.fluid.2022.113635
EP  - 27
PY  - 2023///
SN  - 0378-3812
SP  - 1
TI  - A predictive group-contribution framework for the thermodynamic modelling of CO absorption in cyclic amines, alkyl polyamines, alkanolamines and phase-change amines: New data and SAFT- Mie parameters
T2  - Fluid Phase Equilibria
UR  - http://dx.doi.org/10.1016/j.fluid.2022.113635
UR  - https://www.sciencedirect.com/science/article/pii/S0378381222002540?via%3Dihub
UR  - http://hdl.handle.net/10044/1/102059
VL  - 566
ER  -
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