scholarly journals Prediction of the Solubility of CO2 in Imidazolium Ionic Liquids Based on Selective Ensemble Modeling Method

Processes ◽  
2020 ◽  
Vol 8 (11) ◽  
pp. 1369
Author(s):  
Luyue Xia ◽  
Shanshan Liu ◽  
Haitian Pan

Solubility data is one of the essential basic data for CO2 capture by ionic liquids. A selective ensemble modeling method, proposed to overcome the shortcomings of current methods, was developed and applied to the prediction of the solubility of CO2 in imidazolium ionic liquids. Firstly, multiple different sub–models were established based on the diversities of data, structural, and parameter design philosophy. Secondly, the fuzzy C–means algorithm was used to cluster the sub–models, and the collinearity detection method was adopted to eliminate the sub–models with high collinearity. Finally, the information entropy method integrated the sub–models into the selective ensemble model. The validation of the CO2 solubility predictions against experimental data showed that the proposed ensemble model had better performance than its previous alternative, because more effective information was extracted from different angles, and the diversity and accuracy among the sub–models were fully integrated. This work not only provided an effective modeling method for the prediction of the solubility of CO2 in ionic liquids, but also provided an effective method for the discrimination of ionic liquids for CO2 capture.

Processes ◽  
2019 ◽  
Vol 7 (5) ◽  
pp. 258 ◽  
Author(s):  
Luyue Xia ◽  
Jiachen Wang ◽  
Shanshan Liu ◽  
Zhuo Li ◽  
Haitian Pan

Reducing the emissions of greenhouse gas is a worldwide problem that needs to be solved urgently for sustainable development in the future. The solubility of CO2 in ionic liquids is one of the important basic data for capturing CO2. Considering the disadvantages of experimental measurements, e.g., time-consuming and expensive, the complex parameters of mechanism modeling and the poor stability of single data-driven modeling, a multi-model fusion modeling method is proposed in order to predict the solubility of CO2 in ionic liquids. The multiple sub-models are built by the training set. The sub-models with better performance are selected through the validation set. Then, linear fusion models are established by minimizing the sum of squares of the error and information entropy method respectively. Finally, the performance of the fusion model is verified by the test set. The results showed that the prediction effect of the linear fusion models is better than that of the other three optimal sub-models. The prediction effect of the linear fusion model based on information entropy method is better than that of the least square error method. Through the research work, an effective and feasible modeling method is provided for accurately predicting the solubility of CO2 in ionic liquids. It can provide important basic conditions for evaluating and screening higher selective ionic liquids.


2017 ◽  
Vol 56 (28) ◽  
pp. 8066-8072 ◽  
Author(s):  
Ke Mei ◽  
Xi He ◽  
Kaihong Chen ◽  
Xiuyuan Zhou ◽  
Haoran Li ◽  
...  

2019 ◽  
Vol 291 ◽  
pp. 110477 ◽  
Author(s):  
Bartosz Dębski ◽  
Andreas Hänel ◽  
Robert Aranowski ◽  
Stefan Stolte ◽  
Marta Markiewicz ◽  
...  

2009 ◽  
Vol 62 (4) ◽  
pp. 298 ◽  
Author(s):  
Junhua Huang ◽  
Thomas Rüther

As the climate debate is hotting up, so is the (re)search for finding powerful new materials for the efficient and cost-effective removal of CO2 from flue-gas streams from power plants and other emission sources. Ionic liquids (ILs), exhibiting higher CO2 solubility than conventional organic solvents, have received considerable interest as new CO2 absorbents. The present paper evaluates the advantages and disadvantages of ILs, and provides an overview of the recent developments of ILs for CO2 capture. In conventional ILs, CO2 is absorbed by occupying the free space between the ions through physical absorption mechanisms. As another promising strategy, task-specific ILs have been studied that, by attaching functional groups to the ions, allow the formation of chemical bonds to improve the overall absorption capacity during the CO2 capture process. Other strategies include using ILs as reaction media or as selective absorption materials.


Crystals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 978
Author(s):  
Yanrong Liu ◽  
Zhengxing Dai ◽  
Fei Dai ◽  
Xiaoyan Ji

The CO2 solubilities (including CO2 Henry’s constants) and viscosities in ionic liquids (ILs)/deep eutectic solvents (DESs)-based hybrid solvents were comprehensively collected and summarized. The literature survey results of CO2 solubility illustrated that the addition of hybrid solvents to ILs/DESs can significantly enhance the CO2 solubility, and some of the ILs-based hybrid solvents are super to DESs-based hybrid solvents. The best hybrid solvents of IL–H2O, IL–organic, IL–amine, DES–H2O, and DES–organic are [DMAPAH][Formate] (2.5:1) + H2O (20 wt %) (4.61 mol/kg, 298 K, 0.1 MPa), [P4444][Pro] + PEG400 (70 wt %) (1.61 mol/kg, 333.15 K, 1.68 MPa), [DMAPAH][Formate] (2.0:1) + MEA (30 wt %) (6.24 mol/kg, 298 K, 0.1 MPa), [TEMA][Cl]-GLY-H2O 1:2:0.11 (0.66 mol/kg, 298 K, 1.74 MPa), and [Ch][Cl]-MEA 1:2 + DBN 1:1 (5.11 mol/kg, 298 K, 0.1 MPa), respectively. All of these best candidates show higher CO2 solubility than their used pure ILs or DESs, evidencing that IL/DES-based hybrid solvents are remarkable for CO2 capture. For the summarized viscosity results, the presence of hybrid solvents in ILs and DESs can decrease their viscosities. The lowest viscosities acquired in this work for IL–H2O, IL–amine, DES–H2O, and DES–organic hybrid solvents are [DEA][Bu] + H2O (98.78 mol%) (0.59 mPa·s, 343.15 K), [BMIM][BF4] + DETA (94.9 mol%) (2.68 mPa·s, 333.15 K), [L-Arg]-GLY 1:6 + H2O (60 wt %) (2.7 mPa·s, 353.15 K), and [MTPP][Br]-LEV-Ac 1:3:0.03 (16.16 mPa·s, 333.15 K) at 0.1 MPa, respectively.


2021 ◽  
Vol 66 (2) ◽  
pp. 899-914
Author(s):  
Mojgan Ebrahiminejadhasanabadi ◽  
Wayne Michael Nelson ◽  
Paramespri Naidoo ◽  
Amir H. Mohammadi ◽  
Deresh Ramjugernath

2016 ◽  
Vol 13 (1) ◽  
pp. 53
Author(s):  
Siti Nabihah Jamaludin ◽  
Ruzitah Mohd Salleh

Anthropogenic CO2 emissions has led to global climate change and widely contributed to global warming since its concentration has been increasing over time. It has attracted vast attention worldwide. Currently, the different CO2 capture technologies available include absorption, solid adsorption and membrane separation. Chemical absorption technology is regarded as the most mature technology and is commercially used in the industry. However, the key challenge is to find the most efficient solvent in capturing CO2. This paper reviews several types of CO2 capture technologies and the various factors influencing the CO2 absorption process, resulting in the development of a novel solvent for CO2 capture.


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