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Multiobjective Evaluation of Amine-Based Absorbents for SO2 Capture Process Using the pK a Mathematical Model
Dongliang Wang1,2, Jiangpeng Xie1,2, Guixian Li1,2
1School of Petrochemical Engineering, Lanzhou University of Technology, Lanzhou, Gansu 730050, China.
ACS Omega
|January 31, 2022
Summary
Screening amine-based absorbents for sulfur dioxide (SO2) capture is crucial. This study models SO2 cyclic absorption capacity and desorption heat, finding a balance between capacity and energy is key for effective flue gas treatment.
Area of Science:
- Environmental Chemistry
- Chemical Engineering
- Materials Science
Background:
- Efficient sulfur dioxide (SO2) capture from flue gas requires high-performance, low-energy absorbents.
- Amine-based absorbents are critical for SO2 removal, but their performance varies.
- Screening effective absorbents necessitates understanding their absorption capacity and energy requirements.
Purpose of the Study:
- To screen high-efficiency, low-energy consumption absorbents for SO2 capture.
- To establish a quantitative relationship between absorbent properties and performance metrics.
- To guide the development of advanced amine-based SO2 capture systems.
Main Methods:
- Quantum chemical calculations to determine acidity coefficient (pKa) of five diamines: ethylenediamine (EDA), piperazine (PZ), 1-(2-hydroxyethyl)piperazine (HEP), 1,4-bis(2-hydroxyethyl)piperazine (DIHEP), and 1-(2-hydroxyethyl)-4-(2-hydroxypropyl)piperazine (HEHPP).
- Mathematical modeling to predict SO2 cyclic absorption capacity per amine (αc) based on solution electroneutrality.
- Mathematical modeling using the van't Hoff equation to predict desorption reaction heat (Qdes), with results verified against experimental data.
Main Results:
- Calculated pKa values correlate with both SO2 cyclic absorption capacity (αc) and desorption reaction heat (Qdes).
- The order of αc is EDA > PZ > HEHPP > HEP > DIHEP, while the order of Qdes is EDA > PZ > HEHPP > DIHEP > HEP.
- Multiobjective analysis indicates that optimizing αc without considering Qdes is not advisable; compound quaternary systems offer wider αc ranges than single ternary systems.
Conclusions:
- The study provides a quantitative framework for screening amine-based SO2 absorbents.
- Balancing absorption capacity and desorption energy is essential for efficient SO2 capture.
- Development of compound quaternary system absorbents is a promising direction for future research.
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