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Hierarchical calibration and validation framework of bench-scale computational fluid dynamics simulations for solvent-based carbon capture. Part 2: Chemical absorption across a wetted wall column: Original Research Article: Hierarchical calibration and validation framework of bench-scale computational fluid dynamics simulations

Journal Article · · Greenhouse Gases: Science and Technology
DOI:https://doi.org/10.1002/ghg.1727· OSTI ID:1432142
 [1];  [1];  [1];  [2];  [3];  [4]
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical and Computational Sciences Directorate
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Energy and Environment Directorate
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Energy and Transportation Science Division
+ Show Author Affiliations

Part 1 of this paper presents a numerical model for non-reactive physical mass transfer across a wetted wall column (WWC). In Part 2, we improved the existing computational fluid dynamics (CFD) model to simulate chemical absorption occurring in a WWC as a bench-scale study of solvent-based carbon dioxide (CO2) capture. In this study, to generate data for WWC model validation, CO2 mass transfer across a monoethanolamine (MEA) solvent was first measured on a WWC experimental apparatus. The numerical model developed in this work can account for both chemical absorption and desorption of CO2 in MEA. In addition, the overall mass transfer coefficient predicted using traditional/empirical correlations is conducted and compared with CFD prediction results for both steady and wavy falling films. A Bayesian statistical calibration algorithm is adopted to calibrate the reaction rate constants in chemical absorption/desorption of CO2 across a falling film of MEA. The posterior distributions of the two transport properties, i.e., Henry's constant and gas diffusivity in the non-reacting nitrous oxide (N2O)/MEA system obtained from Part 1 of this study, serves as priors for the calibration of CO2 reaction rate constants after using the N2O/CO2 analogy method. Finally, the calibrated model can be used to predict the CO2 mass transfer in a WWC for a wider range of operating conditions.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Fossil Energy (FE)
Grant/Contract Number:
AC05-00OR22725; AC05-76RL01830
OSTI ID:
1432142
Alternate ID(s):
OSTI ID: 1402519
OSTI ID: 1422295
OSTI ID: 1435215
OSTI ID: 1438148
Journal Information:
Greenhouse Gases: Science and Technology, Journal Name: Greenhouse Gases: Science and Technology Journal Issue: 1 Vol. 8; ISSN 2152-3878
Publisher:
Society of Chemical Industry, WileyCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (1)

Device-scale CFD modeling of gas-liquid multiphase flow and amine absorption for CO 2 capture: Original Research Article: Device-scale CFD modeling of gas-liquid multiphase flow and amine absorption for CO 2 capture journal March 2018

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
54 ENVIRONMENTAL SCIENCES
Bayesian calibration
carbon capture
chemical absorption
computational fluid dynamics
hierarchical calibration and validation
wetted wall column