On the use of molecular-based thermodynamic models to assess the
performance of solvents for CO₂
capture processes:
monoethanolamine solutions
performance of solvents for CO₂
capture processes:
monoethanolamine solutions
Author(s)
Type
Journal Article
Abstract
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.
Date Issued
2016-10-01
Date Acceptance
2016-04-15
Citation
Faraday Discussions, 2016, 192, pp.337-390
ISSN
1364-5498
Publisher
Royal Society of Chemistry
Start Page
337
End Page
390
Journal / Book Title
Faraday Discussions
Volume
192
Copyright Statement
© The Royal Society of Chemistry 2016
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
License URL
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Natural Environment Research Council (NERC)
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (E
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (E
Grant Number
GR/T17595/01
NE/C516401/1
EP/E016340/1
010396 - EP/G062129/1
EP/J014958/1
EP/J003840/1
EP/J020788/1, ERI 023327
Subjects
Chemical Physics
0306 Physical Chemistry (Incl. Structural)
0904 Chemical Engineering
Publication Status
Published
Date Publish Online
2016-04-15