Change search
Link to record
Permanent link

Direct link
Publications (10 of 241) Show all publications
Chen, Y., Li, B., Wang, A., Wang, K., Xie, J., Sun, K., . . . Ji, X. (2024). Developing aqueous porous carbons for biogas upgrading. Separation and Purification Technology, 329, Article ID 125146.
Open this publication in new window or tab >>Developing aqueous porous carbons for biogas upgrading
Show others...
2024 (English)In: Separation and Purification Technology, ISSN 1383-5866, E-ISSN 1873-3794, Vol. 329, article id 125146Article in journal (Refereed) Published
Abstract [en]

Developing novel sorbents is essential for biogas upgrading. In this study, mixed sorbents of aqueous porous carbons were developed to separate CO2 from the biogas, where the porous carbon with the developed micropore structure was identified as the most desirable constituent. Both thermodynamics and kinetics were studied experimentally, and Henry’s constant (KH) and the liquid-side mass-transfer coefficient (kL) of CO2 in the mixed sorbent as well as the selectivity of CO2/CH4 were obtained accordingly. Furthermore, the CO2 separation performance was evaluated with a proposed index, and the cost of biogas upgrading using the mixed sorbent was estimated and compared. The results showed that the porous carbon with the developed micropore structure led to better performance on KH and kL of CO2 in the mixed sorbent, and the mixed sorbent with 3.03 wt% porous carbon exhibited the best CO2 separation performance, reducing 36.2 % in cost compared to the current technologies.

Place, publisher, year, edition, pages
Elsevier B.V., 2024
Keywords
Biogas, Cost reduction, Kinetics, Porous carbon, Thermodynamics
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
urn:nbn:se:ltu:diva-101628 (URN)10.1016/j.seppur.2023.125146 (DOI)2-s2.0-85172288931 (Scopus ID)
Funder
The Kempe Foundations, SMK21-0020Swedish Energy AgencyThe Swedish Foundation for International Cooperation in Research and Higher Education (STINT), CH2019-8287
Note

Validerad;2023;Nivå 2;2023-10-11 (joosat);

CC BY 4.0 License

Funder: National Natural Science Foundation of China (No. 22108115)

Available from: 2023-10-11 Created: 2023-10-11 Last updated: 2023-10-11Bibliographically approved
Fan, J., Dai, Z., Cao, J., Mu, L., Ji, X. & Lu, X. (2024). Hybrid data-driven and physics-based modeling for viscosity prediction of ionic liquids. Green Energy & Environment
Open this publication in new window or tab >>Hybrid data-driven and physics-based modeling for viscosity prediction of ionic liquids
Show others...
2024 (English)In: Green Energy & Environment, E-ISSN 2468-0257Article in journal (Refereed) Epub ahead of print
Abstract [en]

Viscosity is one of the most important fundamental properties of fluids. However, accurate acquisition of viscosity for ionic liquids (ILs) remains a critical challenge. In this study, an approach integrating prior physical knowledge into the machine learning (ML) model was proposed to predict the viscosity reliably. The method was based on 16 quantum chemical descriptors determined from the first principles calculations and used as the input of the ML models to represent the size, structure, and interactions of the ILs. Three strategies based on the residuals of the COSMO-RS model were created as the output of ML, where the strategy directly using experimental data was also studied for comparison. The performance of six ML algorithms was compared in all strategies, and the CatBoost model was identified as the optimal one. The strategies employing the relative deviations were superior to that using the absolute deviation, and the relative ratio revealed the systematic prediction error of the COSMO-RS model. The CatBoost model based on the relative ratio achieved the highest prediction accuracy on the test set (R2 = 0.9999, MAE = 0.0325), reducing the average absolute relative deviation (AARD) in modeling from 52.45 % to 1.54 %. Features importance analysis indicated the average energy correction, solvation-free energy, and polarity moment were the key influencing the systematic deviation.

Place, publisher, year, edition, pages
Elsevier, 2024
Keywords
COSMO-RS, Fundamental property, Ionic liquids, Machine learning, Viscosity
National Category
Physical Chemistry Computer Sciences
Research subject
Energy Engineering
Identifiers
urn:nbn:se:ltu:diva-104307 (URN)10.1016/j.gee.2024.01.007 (DOI)2-s2.0-85184007250 (Scopus ID)
Note

Funder: Horizon-EIC (101070976); Postgraduate Research & Practice Innovation Program of Jiangsu Province (KYCX23-1467); STINT (CH2019-8287); National Natural Science Foundation of China (21838004); 

Full text license: CC BY-NC-ND 4.0; 

Available from: 2024-02-20 Created: 2024-02-20 Last updated: 2024-02-20
Qin, C., Wang, Y., Gao, H., Liu, X., Nie, Y. & Ji, X. (2024). Insight into the Keratin Ratio Effect of the Keratin/Cellulose Composite Fiber. ACS Applied Polymer Materials, 6(1), 265-276
Open this publication in new window or tab >>Insight into the Keratin Ratio Effect of the Keratin/Cellulose Composite Fiber
Show others...
2024 (English)In: ACS Applied Polymer Materials, E-ISSN 2637-6105, Vol. 6, no 1, p. 265-276Article in journal (Refereed) Published
Abstract [en]

In this work, biocompatible composite fibers were prepared from human hair keratin and plant cellulose with different proportions by the wet-spinning method, and their properties and performance, including chemical structures, morphology, mechanical strength, and cell proliferation and attachment, were systematically investigated. It showed that the best proportion of the keratin/cellulose mass ratio was 30:70, and its tensile strength reached 277 MPa (elongation at break can be 27%), which is higher than that of the regenerated cellulose fiber (193 MPa, 12%). Its viability and proliferation of L929 murine fibroblast cells are also better than those of the regenerated cellulose fiber. Atomistic simulations were carried out and demonstrated the formation of hydrogen bonds between keratin and cellulose molecules, clarifying that the ratio of keratin has a significant effect on the aggregation structures in the solution and that the hydrogen bonds formed between keratin and cellulose molecules have a distinct contribution to the biocompatible composites. This work demonstrates the potential of the prepared composite fiber in biomedical applications and provides an innovative way to utilize waste human hair as a high-value raw material.

Place, publisher, year, edition, pages
American Chemical Society, 2024
Keywords
biocompatible, composite fiber, ionic liquids, keratin, molecular dynamics simulation
National Category
Bio Materials Energy Engineering
Research subject
Energy Engineering
Identifiers
urn:nbn:se:ltu:diva-103744 (URN)10.1021/acsapm.3c01912 (DOI)2-s2.0-85181102817 (Scopus ID)
Funder
The Kempe Foundations
Note

Validerad;2024;Nivå 2;2024-01-17 (joosat);

Funder: National Natural Science Foundation of China (grant no.22178342); Zhengzhou High-Level Talent (20180300045); Scientific and Technological Project of Henan Province (212102210035);

Full text license: CC BY

Available from: 2024-01-16 Created: 2024-01-16 Last updated: 2024-01-17Bibliographically approved
An, R., Wu, N., Gao, Q., Dong, Y., Laaksonen, A., Shah, F. U., . . . Fuchs, H. (2024). Integrative Studies of Ionic Liquid Interface Layers: Bridging Experiments, Theoretical Models and Simulations. Nanoscale Horizons
Open this publication in new window or tab >>Integrative Studies of Ionic Liquid Interface Layers: Bridging Experiments, Theoretical Models and Simulations
Show others...
2024 (English)In: Nanoscale Horizons, ISSN 2055-6756Article in journal (Refereed) Accepted
Abstract [en]

Ionic liquids (ILs) are a class of salts existing in the liquid state below 100 C, possessing low volatility, high thermal stability as well as many highly attractive solvent and electrochemical capabilities, etc., making them highly tunable for a great variety of applications, such as lubricants, electrolytes, and soft functional materials. In many applications, ILs are first either physi- or chemisorbed on a solid surface to successively create more functional materials. The functions of ILs at solid surfaces can differ considerably from those of bulk ILs, mainly due to distinct interfacial layers with tunable structures resulting in new ionic liquid interface layer (ILIL) properties and enhanced performance. Due to an almost infinite number of possible combinations among the cations and anions to form ILs, the diversity of various solid surfaces, as well as different external conditions and stimuli, a detailed molecular-level understanding of their structure–property relationship is of utmost significance for a judicious design of IL–solid interfaces with appropriate properties for task-specific applications. Many experimental techniques, such as atomic force microscopy, surface force apparatus, and so on, have been used for studying the ion structuring of ILIL. Molecular Dynamics simulations have been widely used to investigate the microscopic behavior of the ILIL. To interpret and clarify the IL structure and dynamics as well as to predict their properties, it is always beneficial to combine both experiments and simulations as close as possible. In another theoretical model development to bridge the structure and properties of ILIL with performance, thermodynamic (TD) prediction & property modeling has been demonstrated as an effective tool to add the properties and function of the studied nanomaterials. Herein, we present recent findings from applying the multiscale triangle “experiment–molecular simulation–TD modeling” in the studies of ion structuring of ILs in the vicinity of solid surfaces, as well as how it qualitatively and quantitatively correlates to the overall ILs properties, performance, and function. We introduce the most common techniques behind “experiment–molecular simulation–modeling” and how they are applied for studying the ILIL structuring, and we highlight the possibilities of the ILIL structuring in applications such as lubrication and energy storage.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2024
Keywords
ionic liquids, nanostructure, ionic liquid interface layer, simulation, multiscale modeling, layering, molecular interaction, quantitative
National Category
Physical Chemistry
Research subject
Energy Engineering; Chemistry of Interfaces
Identifiers
urn:nbn:se:ltu:diva-104260 (URN)10.1039/d4nh00007b (DOI)
Funder
Swedish Research Council, 2020-03899The Swedish Foundation for International Cooperation in Research and Higher Education (STINT), CH2019-8287EU, Horizon Europe, 101070976Swedish Research Council, 2018-04133The Kempe Foundations, SMK21-0011Swedish Research Council, 2019-03865EU, Horizon Europe, 101086667
Available from: 2024-02-12 Created: 2024-02-12 Last updated: 2024-02-12
Yuan, L., Zeng, S., Zhang, X., Ji, X. & Zhang, S. (2023). Advances and challenges of electrolyzers for large-scale CO2 electroreduction. Materials Reports: Energy, 3(1), Article ID 100177.
Open this publication in new window or tab >>Advances and challenges of electrolyzers for large-scale CO2 electroreduction
Show others...
2023 (English)In: Materials Reports: Energy, E-ISSN 2666-9358, Vol. 3, no 1, article id 100177Article, review/survey (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
Elsevier, 2023
Keywords
CO2 electrolyzer, CO2 electroreduction, Flow channel, Gas diffusion electrode, Ion exchange membrane, Large-scale
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
urn:nbn:se:ltu:diva-96378 (URN)10.1016/j.matre.2023.100177 (DOI)2-s2.0-85150320586 (Scopus ID)
Note

Godkänd;2023;Nivå 0;2023-04-13 (hanlid);

Funder: National Key R&D Program of China (2020YFA0710200); National Natural Science Foundation of China (21838010, 22122814); Youth Innovation Promotion Association of the Chinese Academy of Sciences (2018064); State Key Laboratory of Multiphase complex systems, Institute of Process Engineering, Chinese Academy of Sciences (MPCS-2022-A-03); Innovation Academy for Green Manufacture Institute, Chinese Academy of Science (IAGM2020C14)

Available from: 2023-04-13 Created: 2023-04-13 Last updated: 2023-04-13Bibliographically approved
Ji, L., Shukla, S. K., Zuo, Z., Lu, X., Ji, X. & Wang, C. (2023). An overview of the progress of new working pairs in absorption heat pumps. Energy Reports, 9, 703-729
Open this publication in new window or tab >>An overview of the progress of new working pairs in absorption heat pumps
Show others...
2023 (English)In: Energy Reports, E-ISSN 2352-4847, Vol. 9, p. 703-729Article, review/survey (Refereed) Published
Abstract [en]

Absorption heat pumps have emerged as a potential tool to address the energy crisis because of their ability to utilize low-grade heat. The performance of an absorption heat pump largely depends on the efficiency of the working pair to operate at the source temperature. The commercialized working pairs H2O/LiBr and NH3/H2O linger with operational and economic issues. Several binary/ternary combinations were tested among water, ammonia, salt, alcohols, hydrocarbons, and ionic liquids (ILs) in quest of the potential working pairs. The last decade has witnessed a stupendous surge in IL-based working pairs because of their several advantageous properties over the traditional solvents. The present review encompasses the research progress on various working pairs, in particular, their properties, modeling and correlation results, and coefficient of performance (COP) values.

Place, publisher, year, edition, pages
Elsevier Ltd, 2023
Keywords
Absorption heat pump, Coefficient of performance, Ionic liquids, Thermodynamic models, Working pairs
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
urn:nbn:se:ltu:diva-95006 (URN)10.1016/j.egyr.2022.11.143 (DOI)000904678800012 ()2-s2.0-85144073124 (Scopus ID)
Funder
The Kempe FoundationsSwedish Research Council
Note

Validerad;2023;Nivå 2;2023-01-19 (sofila);

Funder: Top-notch Academic Programs Project of the Jiangsu Higher Education Institution (TAPP) ; Priority Academic Program Development of the Jiangsu Higher Education Institution (grant no. PPZY2015A044)

Available from: 2022-12-27 Created: 2022-12-27 Last updated: 2023-09-06Bibliographically approved
Jiang, C., Zeng, S., Ma, X., Feng, J., Li, G., Bai, L., . . . Zhang, X. (2023). Aprotic phosphonium‐based ionic liquid as electrolyte for high CO2 electroreduction to oxalate. AIChE Journal, 69(2), Article ID e17859.
Open this publication in new window or tab >>Aprotic phosphonium‐based ionic liquid as electrolyte for high CO2 electroreduction to oxalate
Show others...
2023 (English)In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 69, no 2, article id e17859Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
John Wiley & Sons, 2023
Keywords
aprotic, CO2 electroreduction, oxalate, phosphonium-based ionic liquid
National Category
Polymer Chemistry Condensed Matter Physics
Research subject
Energy Engineering
Identifiers
urn:nbn:se:ltu:diva-92740 (URN)10.1002/aic.17859 (DOI)000846452500001 ()2-s2.0-85137232532 (Scopus ID)
Note

Validerad;2023;Nivå 2;2023-04-19 (hanlid);

Funder: National Key R&D Program of China (2020YFA0710200); National Natural Science Foundation of China (21838010, 22122814); Innovation Academy for Green Manufacture (IAGM2020C14); Instrument Developing Project of the Chinese Academy of Sciences (YJKYYQ20200062)

Available from: 2022-09-01 Created: 2022-09-01 Last updated: 2023-09-05Bibliographically approved
Hu, H., Li, J. & Ji, X. (2023). Confining Ionic Liquids in Developing Quasi‐Solid‐State Electrolytes for Lithium Metal Batteries. Chemistry - A European Journal, Article ID e202302826.
Open this publication in new window or tab >>Confining Ionic Liquids in Developing Quasi‐Solid‐State Electrolytes for Lithium Metal Batteries
2023 (English)In: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, article id e202302826Article, review/survey (Refereed) Epub ahead of print
Abstract [en]

The concept of confining ionic liquids (ILs) in developing quasi-solid-state electrolytes (QSSEs) has been proposed, where ILs are dispersed in polymer networks/backbones and/or filler/host pores, forming the so-called confinement, and great research progress and promising research results have been achieved. In this review, the progress and achievement in developing QSSEs using IL-confinement for lithium metal batteries (LMBs), together with advanced characterizations and simulations, were surveyed, summarized, and analyzed, where the influence of specific parameters, such as IL (type, content, etc.), substrate (type, structure, surface properties, etc.), confinement methods, and so on, was discussed. The confinement concept was further compared with the conventional one in other research areas. It indicates that the IL-confinement in QSSEs improves the performance of electrolytes, for example, increasing the ionic conductivity, widening the electrochemical window, and enhancing the cycle performance of the assembled cells, and being different from those in other areas, i.e., the IL-confinement concept in the battery area is in a broad extent. Finally, insights into developing QSSEs in LMBs with the confinement strategy were provided to promote the development and application of QSSE LMBs.

Place, publisher, year, edition, pages
John Wiley & Sons, 2023
Keywords
Confinement, Ionic liquids, Quasi-solid-state electrolytes, Lithium metal batteries
National Category
Energy Engineering Materials Chemistry
Research subject
Energy Engineering
Identifiers
urn:nbn:se:ltu:diva-101767 (URN)10.1002/chem.202302826 (DOI)
Funder
VinnovaEU, Horizon 2020, 958174Swedish Energy Agency, P2022-00014The Swedish Foundation for International Cooperation in Research and Higher Education (STINT), CH2019-8287
Note

Full text license: CC BY-NC

Available from: 2023-11-02 Created: 2023-11-02 Last updated: 2023-11-30
Yang, F., Fan, J., Meng, L., Wu, J., Li, J., Yang, Z., . . . Ji, X. (2023). Efficient SO2 capture at ultra-low concentration using a hybrid absorbent of deep eutectic solvent and ethylene glycol. Journal of Molecular Liquids, 382, Article ID 121945.
Open this publication in new window or tab >>Efficient SO2 capture at ultra-low concentration using a hybrid absorbent of deep eutectic solvent and ethylene glycol
Show others...
2023 (English)In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 382, article id 121945Article in journal (Refereed) Published
Abstract [en]

Deep eutectic solvents (DESs) are considered as the highly effective absorbents for sulfur dioxide (SO2) capture. However, the high viscosity of DESs and the resulting slow absorption rate as well as low absorption capacity at low SO2 concentration seriously hinder their industrial application. In this study, DES of N-methyldiethanolamine (MDEA) and imidazole (Im) is simply blended with ethylene glycol (EG) forming a hybrid absorbent, namely MDEA/Im-EG, which exhibits extremely high SO2 capture capacity at low concentration. In particular, SO2 capture capacity in MDEA/Im-EG (molar ratio = 1:1) reaches 0.446 g SO2/g absorbent at 293.2 K with SO2 concentration of 2000 ppm. Moreover, the corresponding desorption enthalpy is only −40.67 kJ/mol. To well understand the results, thermodynamic analysis of SO2 capture is performed and the SO2 capture mechanism is speculated by nuclear magnetic resonance and Fourier transform infrared spectroscopy.

Place, publisher, year, edition, pages
Elsevier, 2023
Keywords
Capture mechanism, Deep eutectic solvent, Sulfur dioxide, Thermodynamic model
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
urn:nbn:se:ltu:diva-97163 (URN)10.1016/j.molliq.2023.121945 (DOI)2-s2.0-85156139663 (Scopus ID)
Funder
The Kempe Foundations, SMK21-0020Swedish Energy Agency
Note

Validerad;2023;Nivå 2;2023-05-15 (hanlid);

Funder: National Natural Science Foundation of China (21776123, 22108115); Project for Priority Academic Program Development of Jiangsu Higher Education Institutions

Available from: 2023-05-15 Created: 2023-05-15 Last updated: 2023-05-15Bibliographically approved
Jiang, Y., Chen, Y., Yang, F., Fan, J., Li, J., Yang, Z. & Ji, X. (2023). Efficient SO2 removal using aqueous ionic liquid at low partial pressure. Chinese Journal of Chemical Engineering, 58, 355-363
Open this publication in new window or tab >>Efficient SO2 removal using aqueous ionic liquid at low partial pressure
Show others...
2023 (English)In: Chinese Journal of Chemical Engineering, ISSN 1004-9541, E-ISSN 2210-321X, Vol. 58, p. 355-363Article in journal (Refereed) Published
Place, publisher, year, edition, pages
Elsevier, 2023
National Category
Inorganic Chemistry Physical Chemistry Biochemistry and Molecular Biology
Research subject
Energy Engineering
Identifiers
urn:nbn:se:ltu:diva-98227 (URN)10.1016/j.cjche.2022.09.021 (DOI)2-s2.0-85156160852 (Scopus ID)
Funder
The Kempe Foundations, SMK21-0020Swedish Energy Agency, P50830-1
Note

Validerad;2023;Nivå 2;2023-06-12 (hanlid);

Funder: National Natural Science Foundation of China (21776123, 22108115); China Postdoctoral Science Foundation (2021 M691554)

Available from: 2023-06-12 Created: 2023-06-12 Last updated: 2023-06-12Bibliographically approved
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-0200-9960

Search in DiVA

Show all publications