Sensitivity analysis of mass transfer and enhancement factor correlations for the absorption of CO2 in a Sulzer DX packed column using 4-diethylamino-2-butanol (DEAB) solution

Peyman Pakzad; Masoud Mofarahi; Chang Ha Lee

doi:10.1016/j.seppur.2021.118696

Sensitivity analysis of mass transfer and enhancement factor correlations for the absorption of CO₂ in a Sulzer DX packed column using 4-diethylamino-2-butanol (DEAB) solution

Peyman Pakzad, Masoud Mofarahi, Chang Ha Lee

Department of Chemical and Biomolecular Engineering

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

In this study, a rate-based model of post-combustion CO₂ capture was developed for an absorption column packed with Sulzer DX. A new amine solution, 4-diethylamino-2-butanol (DEAB), was applied to the absorber as an active CO₂ capture solvent, and a sensitivity analysis on mass-transfer coefficients in liquid and gas phases (k_L and k_G), effective interfacial area (a_e), and enhancement factor (E) correlations was conducted to enhance the performance of the absorber. In the modeling, the absorber was divided into two sections—low capacity (less than 0.5 mol CO₂/mol DEAB) and high capacity (more than 0.5 mol CO₂/mol DEAB)—to improve model prediction accuracy, especially at high CO₂ loading (α_CO₂). At α_CO₂ of less than 0.5, the CO₂ equilibrium molar concentration (C_{CO_2,e}) was neglected, while at higher α_CO₂, the Deshmukh–Mather activity coefficient model was used to calculate C_{CO_2,e}. The solution procedure was validated against the axial experimental data of the CO₂ mole fraction in the gas phase (y_CO₂) and the liquid-phase temperature (T_L). Then, a sensitivity analysis was performed for the profiles of α_CO₂, y_CO₂, H₂O mole fraction in the gas phase (y_H₂O), T_L, and gas-phase temperature (T_G) through various mass-transfer correlations for the Sulzer DX packing. The rate-based model with k_L, k_G and a_e found that the correlation coefficient (R²) and average absolute relative deviation (AARD%) of y_CO₂ data were 0.9889 and 3.12, and those of T_L data were 0.9685 and 2.09. The sensitivity analysis of various E correlations also revealed no significant difference between the calculated E values using the different relationships. Finally, the effects of α_CO₂, T_L, and liquid flow rate (L) as the most important parameters of the absorber on the E value were investigated. The results indicated that α_CO₂ has a significant impact on the E values and consequently on the reaction rate.

Original language	English
Article number	118696
Journal	Separation and Purification Technology
Volume	268
DOIs	https://doi.org/10.1016/j.seppur.2021.118696
Publication status	Published - 2021 Aug 1

Bibliographical note

Funding Information:
The authors are sincerely grateful for the sponsorships from the Persian Gulf University and Yonsei University. This work was supported by the National Research Foundation of Korea (NRF), funded by the Ministry of Science and ICT (2019K1A4A7A03113187).

Publisher Copyright:
© 2021 Elsevier B.V.

All Science Journal Classification (ASJC) codes

Analytical Chemistry
Filtration and Separation

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10.1016/j.seppur.2021.118696

Cite this

@article{2afbfadf186c44fe8817622b95f386fb,

title = "Sensitivity analysis of mass transfer and enhancement factor correlations for the absorption of CO2 in a Sulzer DX packed column using 4-diethylamino-2-butanol (DEAB) solution",

abstract = "In this study, a rate-based model of post-combustion CO2 capture was developed for an absorption column packed with Sulzer DX. A new amine solution, 4-diethylamino-2-butanol (DEAB), was applied to the absorber as an active CO2 capture solvent, and a sensitivity analysis on mass-transfer coefficients in liquid and gas phases (kL and kG), effective interfacial area (ae), and enhancement factor (E) correlations was conducted to enhance the performance of the absorber. In the modeling, the absorber was divided into two sections—low capacity (less than 0.5 mol CO2/mol DEAB) and high capacity (more than 0.5 mol CO2/mol DEAB)—to improve model prediction accuracy, especially at high CO2 loading (αCO2). At αCO2 of less than 0.5, the CO2 equilibrium molar concentration (CCO2,e) was neglected, while at higher αCO2, the Deshmukh–Mather activity coefficient model was used to calculate CCO2,e. The solution procedure was validated against the axial experimental data of the CO2 mole fraction in the gas phase (yCO2) and the liquid-phase temperature (TL). Then, a sensitivity analysis was performed for the profiles of αCO2, yCO2, H2O mole fraction in the gas phase (yH2O), TL, and gas-phase temperature (TG) through various mass-transfer correlations for the Sulzer DX packing. The rate-based model with kL, kG and ae found that the correlation coefficient (R2) and average absolute relative deviation (AARD%) of yCO2 data were 0.9889 and 3.12, and those of TL data were 0.9685 and 2.09. The sensitivity analysis of various E correlations also revealed no significant difference between the calculated E values using the different relationships. Finally, the effects of αCO2, TL, and liquid flow rate (L) as the most important parameters of the absorber on the E value were investigated. The results indicated that αCO2 has a significant impact on the E values and consequently on the reaction rate.",

author = "Peyman Pakzad and Masoud Mofarahi and Lee, {Chang Ha}",

note = "Funding Information: The authors are sincerely grateful for the sponsorships from the Persian Gulf University and Yonsei University. This work was supported by the National Research Foundation of Korea (NRF), funded by the Ministry of Science and ICT (2019K1A4A7A03113187). Publisher Copyright: {\textcopyright} 2021 Elsevier B.V.",

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AU - Pakzad, Peyman

AU - Mofarahi, Masoud

AU - Lee, Chang Ha

N1 - Funding Information: The authors are sincerely grateful for the sponsorships from the Persian Gulf University and Yonsei University. This work was supported by the National Research Foundation of Korea (NRF), funded by the Ministry of Science and ICT (2019K1A4A7A03113187). Publisher Copyright: © 2021 Elsevier B.V.

PY - 2021/8/1

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N2 - In this study, a rate-based model of post-combustion CO2 capture was developed for an absorption column packed with Sulzer DX. A new amine solution, 4-diethylamino-2-butanol (DEAB), was applied to the absorber as an active CO2 capture solvent, and a sensitivity analysis on mass-transfer coefficients in liquid and gas phases (kL and kG), effective interfacial area (ae), and enhancement factor (E) correlations was conducted to enhance the performance of the absorber. In the modeling, the absorber was divided into two sections—low capacity (less than 0.5 mol CO2/mol DEAB) and high capacity (more than 0.5 mol CO2/mol DEAB)—to improve model prediction accuracy, especially at high CO2 loading (αCO2). At αCO2 of less than 0.5, the CO2 equilibrium molar concentration (CCO2,e) was neglected, while at higher αCO2, the Deshmukh–Mather activity coefficient model was used to calculate CCO2,e. The solution procedure was validated against the axial experimental data of the CO2 mole fraction in the gas phase (yCO2) and the liquid-phase temperature (TL). Then, a sensitivity analysis was performed for the profiles of αCO2, yCO2, H2O mole fraction in the gas phase (yH2O), TL, and gas-phase temperature (TG) through various mass-transfer correlations for the Sulzer DX packing. The rate-based model with kL, kG and ae found that the correlation coefficient (R2) and average absolute relative deviation (AARD%) of yCO2 data were 0.9889 and 3.12, and those of TL data were 0.9685 and 2.09. The sensitivity analysis of various E correlations also revealed no significant difference between the calculated E values using the different relationships. Finally, the effects of αCO2, TL, and liquid flow rate (L) as the most important parameters of the absorber on the E value were investigated. The results indicated that αCO2 has a significant impact on the E values and consequently on the reaction rate.

AB - In this study, a rate-based model of post-combustion CO2 capture was developed for an absorption column packed with Sulzer DX. A new amine solution, 4-diethylamino-2-butanol (DEAB), was applied to the absorber as an active CO2 capture solvent, and a sensitivity analysis on mass-transfer coefficients in liquid and gas phases (kL and kG), effective interfacial area (ae), and enhancement factor (E) correlations was conducted to enhance the performance of the absorber. In the modeling, the absorber was divided into two sections—low capacity (less than 0.5 mol CO2/mol DEAB) and high capacity (more than 0.5 mol CO2/mol DEAB)—to improve model prediction accuracy, especially at high CO2 loading (αCO2). At αCO2 of less than 0.5, the CO2 equilibrium molar concentration (CCO2,e) was neglected, while at higher αCO2, the Deshmukh–Mather activity coefficient model was used to calculate CCO2,e. The solution procedure was validated against the axial experimental data of the CO2 mole fraction in the gas phase (yCO2) and the liquid-phase temperature (TL). Then, a sensitivity analysis was performed for the profiles of αCO2, yCO2, H2O mole fraction in the gas phase (yH2O), TL, and gas-phase temperature (TG) through various mass-transfer correlations for the Sulzer DX packing. The rate-based model with kL, kG and ae found that the correlation coefficient (R2) and average absolute relative deviation (AARD%) of yCO2 data were 0.9889 and 3.12, and those of TL data were 0.9685 and 2.09. The sensitivity analysis of various E correlations also revealed no significant difference between the calculated E values using the different relationships. Finally, the effects of αCO2, TL, and liquid flow rate (L) as the most important parameters of the absorber on the E value were investigated. The results indicated that αCO2 has a significant impact on the E values and consequently on the reaction rate.

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