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Title: Beyond the standard two-film theory: Computational fluid dynamics simulations for carbon dioxide capture in a wetted wall column

The standard two-film theory (STFT) is a diffusion-based mechanism that can be used to describe gas mass transfer across liquid film. Fundamental assumptions of the STFT impose serious limitations on its ability to predict mass transfer coefficients. To better understand gas absorption across liquid film in practical situations, a multiphase computational fluid dynamics (CFD) model fully equipped with mass transport and chemistry capabilities has been developed for solvent-based carbon dioxide (CO 2) capture to predict the CO 2 mass transfer coefficient in a wetted wall column. The hydrodynamics is modeled using a volume of fluid method, and the diffusive and reactive mass transfer between the two phases is modeled by adopting a one-fluid formulation. We demonstrate that the proposed CFD model can naturally account for the influence of many important factors on the overall mass transfer that cannot be quantitatively explained by the STFT, such as the local variation in fluid velocities and properties, flow instabilities, and complex geometries. The CFD model also can predict the local mass transfer coefficient variation along the column height, which the STFT typically does not consider.
Authors:
ORCiD logo [1] ;  [1] ;  [2] ;  [2]
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Report Number(s):
PNNL-SA-130465
Journal ID: ISSN 0009-2509; PII: S0009250918301519
Grant/Contract Number:
AC05-76RL01830
Type:
Accepted Manuscript
Journal Name:
Chemical Engineering Science
Additional Journal Information:
Journal Volume: 184; Journal Issue: C; Journal ID: ISSN 0009-2509
Publisher:
Elsevier
Research Org:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; Computational fluid dynamics; Standard two-film theory; Carbon capture; Physical and chemical absorption; OpenFOAM; Wetted wall column
OSTI Identifier:
1430518

Wang, Chao, Xu, Zhijie, Lai, Canhai, and Sun, Xin. Beyond the standard two-film theory: Computational fluid dynamics simulations for carbon dioxide capture in a wetted wall column. United States: N. p., Web. doi:10.1016/J.CES.2018.03.021.
Wang, Chao, Xu, Zhijie, Lai, Canhai, & Sun, Xin. Beyond the standard two-film theory: Computational fluid dynamics simulations for carbon dioxide capture in a wetted wall column. United States. doi:10.1016/J.CES.2018.03.021.
Wang, Chao, Xu, Zhijie, Lai, Canhai, and Sun, Xin. 2018. "Beyond the standard two-film theory: Computational fluid dynamics simulations for carbon dioxide capture in a wetted wall column". United States. doi:10.1016/J.CES.2018.03.021.
@article{osti_1430518,
title = {Beyond the standard two-film theory: Computational fluid dynamics simulations for carbon dioxide capture in a wetted wall column},
author = {Wang, Chao and Xu, Zhijie and Lai, Canhai and Sun, Xin},
abstractNote = {The standard two-film theory (STFT) is a diffusion-based mechanism that can be used to describe gas mass transfer across liquid film. Fundamental assumptions of the STFT impose serious limitations on its ability to predict mass transfer coefficients. To better understand gas absorption across liquid film in practical situations, a multiphase computational fluid dynamics (CFD) model fully equipped with mass transport and chemistry capabilities has been developed for solvent-based carbon dioxide (CO2) capture to predict the CO2 mass transfer coefficient in a wetted wall column. The hydrodynamics is modeled using a volume of fluid method, and the diffusive and reactive mass transfer between the two phases is modeled by adopting a one-fluid formulation. We demonstrate that the proposed CFD model can naturally account for the influence of many important factors on the overall mass transfer that cannot be quantitatively explained by the STFT, such as the local variation in fluid velocities and properties, flow instabilities, and complex geometries. The CFD model also can predict the local mass transfer coefficient variation along the column height, which the STFT typically does not consider.},
doi = {10.1016/J.CES.2018.03.021},
journal = {Chemical Engineering Science},
number = C,
volume = 184,
place = {United States},
year = {2018},
month = {3}
}