Imperial College London
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George JACKSON BSc DPhil FRSC FRS

Faculty of Engineering, Department of Chemical Engineering

Professor of Chemical Physics
 
 
 
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Contact

 

+44 (0)20 7594 5640g.jackson Website

 
 
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Location

 

RODH 605Roderic Hill BuildingSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Brand:2016:10.1039/C6FD00041J,
author = {Brand, CV and Graham, E and Rodriguez, J and Galindo, A and Jackson, G and Adjiman, CS},
doi = {10.1039/C6FD00041J},
journal = {Faraday Discussions},
pages = {337--390},
title = {On the use of molecular-based thermodynamic models to assess theperformance of solvents for COcapture processes:monoethanolamine solutions},
url = {http://dx.doi.org/10.1039/C6FD00041J},
volume = {192},
year = {2016}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - Predictive models play an important role in the design of post-combustion processes for the capture of carbon dioxide (CO2) emitted from power plants. A rate-based absorber model is presented to investigate the reactive capture of CO2 using aqueous monoethanolamine (MEA) as a solvent, integrating a predictive molecular-based equation of state: SAFT-VR SW (Statistical Associating Fluid Theory-Variable Range, Square Well). A distinctive physical approach is adopted to model the chemical equilibria inherent in the process. This eliminates the need to consider reaction products explicitly and greatly reduces the amount of experimental data required to model the absorber compared to the more commonly employed chemical approaches. The predictive capabilities of the absorber model are analyzed for profiles from 10 pilot plant runs by considering two scenarios: (i) no pilot-plant data are used in the model development; (ii) only a limited set of pilot-plant data are used. Within the first scenario, the mass fraction of CO2 in the clean gas is underestimated in all but one of the cases, indicating that a best-case performance of the solvent can be obtained with this predictive approach. Within the second scenario a single parameter is estimated based on data from a single pilot plant run to correct for the dramatic changes in the diffusivity of CO2 in the reactive solvent. This parameter is found to be transferable for a broad range of operating conditions. A sensitivity analysis is then conducted, and the liquid viscosity and diffusivity are found to be key properties for the prediction of the composition profiles. The temperature and composition profiles are sensitive to thermodynamic properties that correspond to major sources of heat generation or dissipation. The proposed modelling framework can be used as an early assessment of solvents to aid in narrowing the search space, and can help in determining target solvents for experiments and more detailed modelling.
AU  - Brand,CV
AU  - Graham,E
AU  - Rodriguez,J
AU  - Galindo,A
AU  - Jackson,G
AU  - Adjiman,CS
DO  - 10.1039/C6FD00041J
EP  - 390
PY  - 2016///
SN  - 1364-5498
SP  - 337
TI  - On the use of molecular-based thermodynamic models to assess theperformance of solvents for COcapture processes:monoethanolamine solutions
T2  - Faraday Discussions
UR  - http://dx.doi.org/10.1039/C6FD00041J
UR  - http://hdl.handle.net/10044/1/31245
VL  - 192
ER  -
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