| 1. |
- Cao, Yongkang, et al.
(author)
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Protic Ionic Liquid‐Based Deep Eutectic Solvents with Multiple Hydrogen Bonding Sites for Efficient Absorption of NH3
- 2020
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In: AIChE Journal. - : American Institute of Chemical Engineers. - 0001-1541 .- 1547-5905. ; 66:8
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Journal article (peer-reviewed)abstract
- The emerging of ionic liquids (ILs) provides an efficient and sustainable way to separate and recover NH3 due to their unique properties. However, the solid or highly viscous ILs are not suitable for traditional scrubbing. Therefore, an effective strategy was proposed by combining the protic ILs (PILs) with acidic H and low viscous ethylene glycol (EG) to form IL‐based deep eutectic solvents (DESs) for NH3 absorption. The results indicated that these PIL‐based DESs not only have fast absorption rate, but also exhibit exceptional NH3 capacity and excellent recyclability. The highest mass capacity of 211 mg NH3/g DES was achieved by [Im][NO3]/EG with molar ratio of 1:3, and was higher than all the reported ILs and IL‐based DESs, which was originated from multiple hydrogen bonding between acidic H and hydroxyl groups of the DESs and NH3. This work will provide useful idea for designing IL‐based solvents for NH3 separation applications.
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| 2. |
- Han, Jiuli, et al.
(author)
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Highly Selective Oxygen/Nitrogen Separation Membrane Engineered Using a Porphyrin-Based Oxygen Carrier
- 2019
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In: Membranes. - : MDPI. - 2077-0375. ; 9:9
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Journal article (peer-reviewed)abstract
- Air separation is very important from the viewpoint of the economic and environmental advantages. In this work, defect-free facilitated transport membranes based on poly(amide-12-b-ethylene oxide) (Pebax-2533) and tetra(p-methoxylphenyl)porphyrin cobalt chloride (T(p-OCH3)PPCoCl) were fabricated in systematically varied compositions for O2/N2 separation. T(p-OCH3)PPCoCl was introduced as carriers that selectively and reversibly interacted with O2 and facilitated O2 transport in the membrane. The T(p-OCH3)PPCoCl had good compatibility with the Pebax-2533 via the hydrogen bond interaction and formed a uniform and thin selective layer on the substrate. The O2 separation performance of the thin film composite (TFC) membranes was improved by adding a small amount of the T(p-OCH3)PPCoCl and decreasing the feed pressure. At the pressure of 0.035 MPa, the O2 permeability and O2/N2 selectivity of the 0.6 wt % T(p-OCH3)PPCoCl/Pebax-2533 was more than 3.5 times that of the Pebax-2533 TFC membrane, which reached the 2008 Robeson upper bound. It provides a candidate membrane material for O2/N2 efficient separation in moderate conditions
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| 3. |
- Jiang, Chongyang, et al.
(author)
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Aprotic phosphonium‐based ionic liquid as electrolyte for high CO2 electroreduction to oxalate
- 2023
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In: AIChE Journal. - : John Wiley & Sons. - 0001-1541 .- 1547-5905. ; 69:2
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Journal article (peer-reviewed)abstract
- In this study, a new CO2 electroreduction electrolyte system consisting of tetrabutylphosphonium 4-(methoxycarbonyl) phenol ([P4444][4-MF-PhO]) ionic liquid (IL) and acetonitrile (AcN) was designed to produce oxalate, and the electroreduction mechanism was studied. The results show that using the new IL-based electrolyte, the electroreduction system exhibits 93.8% Faradaic efficiency and 12.6 mA cm−2 partial current density of oxalate at −2.6 V. The formation rate of oxalate is 234.4 μmol cm−2 h−1, which is better than those reported in the literature. The mechanism study using density functional theory (DFT) calculations reveals that [P4444][4-MF-PhO] can effectively activate CO2 molecule through ester and phenoxy double active sites. In addition, in the phosphonium-based ionic environment, the potential barriers of the key intermediates *CO2− and *C2O42− are reduced by the induced electric field, which greatly facilitates the activation and conversion of CO2 molecule to oxalate.
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| 4. |
- Li, Fangfang, et al.
(author)
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Efficient and Reversible Chemisorption of Carbon Dioxide with Dianionic-Functionalized Ionic Liquid-Based Solvents
- 2020
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In: Energy & Fuels. - : American Chemical Society (ACS). - 0887-0624 .- 1520-5029. ; 34:7, s. 8526-8533
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Journal article (peer-reviewed)abstract
- Developing carbon dioxide (CO2) capture technologies has caused worldwide interest because of the baneful influence of CO2 on climate change as a main greenhouse gas. Ionic liquids (ILs) are considered as potential absorbents for CO2 capture because of their unique properties compared with current amine-based solvents. In this work, new dianionic-functionalized IL-based solvents, bi(1,8-diazabicyclo[5.4.0]undec-7-ene) dimethylhydantoin/ethylene glycol ([(DBUH)(2)][Dhyd]/EG), were designed and prepared for efficient and reversible chemisorption of CO2. Among the absorbents, [(DBUH)(2)][Dhyd]/EG with a mass ratio of 5:5 exhibited not only a high CO2 absorption capacity of 0.11 g CO2 /g absorbent at 20 degrees C and 0.10 MPa but also good recyclability. Spectroscopic characterizations and simulation calculations confirmed that the superior CO2 capacity may be attributed to the simultaneous reaction of CO(2 )with both the [Dhyd](2)- anion and deprotonated EG. The excellent CO2 absorption and regeneration performance imply that [(DBUH)(2)][Dhyd]/EG solvents may have great industrial application potentials.
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| 5. |
- Liu, Yanrong, et al.
(author)
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Ionic liquids/deep eutectic solvents for CO2 capture: Reviewing and evaluating
- 2021
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In: Green Energy & Environment. - : Elsevier. - 2468-0257. ; 6:3, s. 314-328
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Journal article (peer-reviewed)abstract
- The CO2 solubilities (including CO2 Henry’s constant) in physical- and chemical-based ILs/DESs and the COSMO-RS models describing these properties were comprehensively collected and summarized. The summarized results indicate that chemical-based ILs/DESs are superior to physical-based ILs/DESs for CO2 capture, especially those ILs have functionalized cation and anion, and superbase DESs; some of the superbase DESs have higher CO2 solubilities than those of ILs; the best physical- and chemical-based ILs, as well as physical- and chemical-based DESs are [BMIM][BF4] (4.20 mol kg-1), [DETAH][Im] (11.91 mol kg-1), [L-Arg]-Gly 1:6 (4.92 mol kg-1) and TBD-EG 1:4 (12.90 mol kg-1), respectively. Besides the original COSMO-RS mainly providing qualitative predictions, six corrected COSMO-RS models have been proposed to improve the prediction performance based on the experimental data, but only one model is with universal parameters. The newly determined experimental results were further used to verify the perditions of original and corrected COSMO-RS models. The comparison indicates that the original COSMO-RS qualitatively predicts CO2 solubility for some but not all ILs/DESs, while the quantitative prediction is incapable at all. The original COSMO-RS is capable to predict CO2 Henry’s constant qualitatively for both physical-based ILs and DESs, and quantitative prediction is only available for DESs. For the corrected COSMO-RS models, only the model with universal parameters provides quantitative predictions for CO2 solubility in physical-based DESs, while other corrected models always show large deviations (>83%) compared with the experimental CO2 Henry’s constants.
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| 6. |
- Liu, Yanrong, et al.
(author)
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Screening Deep Eutectic Solvents for CO2 Capture With COSMO-RS
- 2020
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In: Frontiers in Chemistry. - : Frontiers Media S.A.. - 2296-2646. ; 8:82
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Journal article (peer-reviewed)abstract
- In this work, 502 experimental data for CO2 solubilities and 132 for Henry’s constantsof CO2 in DESs were comprehensively summarized from literatures and used for furtherverification and development of COSMO-RS. Large systematic deviations of 62.2, 59.6,63.0, and 59.1% for the logarithmic CO2 solubilities in the DESs (1:2, 1:3, 1:4, 1:5),respectively, were observed for the prediction with the original COSMO-RS, while thepredicted Henry’s constants of CO2 in the DESs (1:1.5, 1:2, 1:3, 1:4, 1:5) at temperaturesranging of 293.15–333.15 K are more accurate than the predicted CO2 solubility withthe original COSMO-RS. To improve the performance of COSMO-RS, 502 data pointsof CO2 solubility in the DESs (1:2, 1:3, 1:4, 1:5) were used for correcting COSMO-RSwith a temperature-pressure dependent parameter, and the CO2 solubility in the DES(1:6) was predicted to further verify the performance of the corrected model. The resultsindicate that the corrected COSMO-RS can significantly improve the model performancewith the ARDs decreasing down to 6.5, 4.8, 6.5, and 4.5% for the DESs (1:2, 1:3, 1:4, and 1:5), respectively, and the corrected COSMO-RS with the universal parameters can beused to predict the CO2 solubility in DESs with different mole ratios, for example, for theDES (1:6), the corrected COSMO-RS significantly improves the prediction with an ARD of10.3% that is much lower than 78.2% provided by the original COSMO-RS. Additionally,the result from COSMO-RS shows that the σ-profiles can reflect the strength of molecularinteractions between an HBA (or HBD) and CO2, determining the CO2 solubility, and thedominant interactions for CO2 capture in DESs are the H-bond and Van der Waals force,followed by the misfit based on the analysis of the predicted excess enthalpies.
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| 7. |
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| 8. |
- Shi, Sensen, et al.
(author)
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Simulation and energetic assessment of the ammonia synthesis loop with ionic liquid-Based ammonia recovery from recycle gas
- 2022
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In: Separation and Purification Technology. - : Elsevier. - 1383-5866 .- 1873-3794. ; 301
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Journal article (peer-reviewed)abstract
- Ammonia (NH3) synthesis by Haber-Bosch process is recognized as the most important pathway for NH3 production. However, NH3 recovery from recycle gas using conventional condensation separation is still an energy-intensive process. Ionic liquids (ILs) have been proved to be effective solvents for NH3 separation and recovery due to their unique properties. In this work, a novel IL-based ammonia synthesis loop (IL-HB) was proposed, taking the protic IL [Bim][NTf2] as the absorbent to separate and recover NH3 from recycle gas, aiming to reduce the energy consumption and increase the NH3 production capacity of the synthesis tower. Then, a systematic methodology that considers reliable thermodynamic models as well as process simulation and assessment was established to evaluate the feasibility of the IL-HB. Furthermore, two entire processes (ILa-HB and ILb-HB) that integrate the optimal sections of IL-based NH3 recovery from recycle gas with the ammonia synthesis loop as a whole were simulated, taking the conventional Haber-Bosch ammonia synthesis loop (HB) as the benchmark. The simulation results prove great techno-economic potentials of the proposed ILa-HB and ILb-HB. Compared with the HB, the energy consumption and CO2 emissions of ILb-HB can be reduced by 16.01% and 29.44%, respectively, presenting enormous energy-saving and environment-friendly superiority.
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| 9. |
- Yin, Haichuan, et al.
(author)
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Thermodynamic modeling and process evaluation of advanced ionic liquid-based solvents for CO2/CH4 separation
- 2024
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In: Chemical Engineering Journal. - : Elsevier BV. - 1385-8947 .- 1873-3212. ; 496
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Journal article (peer-reviewed)abstract
- Carbon capture technology is a prospective strategy to address the increasing concentration of CO2 in the atmosphere, with the core challenge of developing new cost-effective processes. In this work, the energy analysis and economic evaluation were conducted based on rigorous thermodynamic models and the process simulation results of a novel chemical absorption-dominated hybrid solvent which consists of functional ionic liquid of choline triazole ([Cho][Triz]) and sulfolane (TMS) to separate CO2 from shale gas. The solubility of CO2 and CH4 in different solvents were calculated using phase equilibrium model including the NRTL activity coefficient equation, the RK equation of state, chemical reaction equilibrium equations, and the mass balance equation. The physical properties of the ionic liquid-based solvent systems were calculated with empirical equations which was corrected using experimental data. The results obtained from the thermodynamic models exhibited good agreement with experimental data. Subsequently, the established models and the parameters obtained were embedded into Aspen Plus for further analysis. The total CO2 capture energy consumption of 1.65 GJ·t−1 CO2 and the cost of 48.07 $·t−1 CO2 were achieved using the new solvent when the mass fraction of IL was 60 wt%. Compared with the commercial 30 wt% MDEA carbon capture process, it reduced the energy consumption and economic cost of 64.16 % and 45.59 %, respectively.
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| 10. |
- Yuan, Lei, et al.
(author)
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Advances and challenges of electrolyzers for large-scale CO2 electroreduction
- 2023
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In: Materials Reports: Energy. - : Elsevier. - 2666-9358. ; 3:1
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Research review (peer-reviewed)abstract
- CO2 electroreduction (CO2ER) to high value-added chemicals is considered as a promising technology to achieve sustainable carbon neutralization. By virtue of the progressive research in recent years aiming at design and understanding of catalytic materials and electrolyte systems, the CO2ER performance (such as current density, selectivity, stability, CO2 conversion, etc.) has been continually increased. Unfortunately, there has been relatively little attention paid to the large-scale CO2 electrolyzers, which stand just as one obstacle, alongside series-parallel integration, challenging the practical application of this infant technology. In this review, the latest progress on the structures of low-temperature CO2 electrolyzers and scale-up studies was systematically overviewed. The influence of the CO2 electrolyzer configurations, such as the flow channel design, gas diffusion electrode (GDE) and ion exchange membrane (IEM), on the CO2ER performance was further discussed. The review could provide inspiration for the design of large-scale CO2 electrolyzers so as to accelerate the industrial application of CO2ER technology.
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