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  • 1.
    Ali, Asad
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, ‘‘Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Huang, Guo
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Hussain, Shahid
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Luo, Shuiping
    College of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, China.
    Shen, Pei Kang
    School of Resources, Environment and Materials, State Key Laboratory of Processing for Non-ferrous Metal and Featured Materials, Guangxi University, Nanning, 530004, PR China.
    Zhu, Jinliang
    School of Resources, Environment and Materials, State Key Laboratory of Processing for Non-ferrous Metal and Featured Materials, Guangxi University, Nanning, 530004, PR China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Emerging strategies and developments in oxygen reduction reaction using high-performance Platinum-based electrocatalysts2023In: Nano Reseach, ISSN 1998-0124, E-ISSN 1998-0000Article, review/survey (Refereed)
  • 2.
    Ali, Asad
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. School of Resources, Environment and Materials, State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, Nanning 530004 Guangxi, P. R. China, Guangxi University, Nanning 530004, PR China; School of Chemistry & Chemical Engineering, Guangxi University, Nanning 530004, PR China.
    Liang, Fengxing
    School of Resources, Environment and Materials, State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, Nanning 530004 Guangxi, P. R. China, Guangxi University, Nanning 530004, PR China.
    Feng, Huiyan
    School of Resources, Environment and Materials, State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, Nanning 530004 Guangxi, P. R. China, Guangxi University, Nanning 530004, PR China; School of Chemistry & Chemical Engineering, Guangxi University, Nanning 530004, PR China.
    Tang, Mei
    School of Resources, Environment and Materials, State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, Nanning 530004 Guangxi, P. R. China, Guangxi University, Nanning 530004, PR China.
    Jalil Shah, Syed
    School of Chemistry & Chemical Engineering, Guangxi University, Nanning 530004, PR China.
    Ahmad, Fawad
    Department of Chemistry, University of Wah, Quaid Avenue, Wah Cantt, (47010), Punjab, Pakistan.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Kang Shen, Pei
    School of Resources, Environment and Materials, State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, Nanning 530004 Guangxi, P. R. China, Guangxi University, Nanning 530004, PR China.
    Zhu, Jinliang
    School of Resources, Environment and Materials, State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, Nanning 530004 Guangxi, P. R. China, Guangxi University, Nanning 530004, PR China.
    Gram-scale production of in-situ generated iron carbide nanoparticles encapsulated via nitrogen and phosphorous co-doped bamboo-like carbon nanotubes for oxygen evolution reaction2023In: Materials Science for Energy Technologies, E-ISSN 2589-2991, Vol. 6, p. 301-309Article in journal (Refereed)
    Abstract [en]

    Optimizing electrocatalytic activity and recognizing the most reactive sites for oxygen evolution reaction (OER) electrocatalysts are valuable to the order of renewable power. In this research article, we explored an innovative in-situ annealing technique for constructing iron carbide nanoparticles (Fe3C NPs) encapsulated via nitrogen and phosphorous doped bamboo-shape carbon nanotubes (NP-CNTs) for OER. Interestingly, the constructed Fe3C NPs@NP-CNT-800 composite exhibited remarkable electrochemical operation and offered a stable current density of 10 mA/cm2 at a lower overpotential (280 mV) in an alkaline solution. Furthermore, an innovative Fe3C NPs@N,P-CNT-800 hybrid surpassed the standard RuO2 electrocatalyst in terms of OER performance and showed negligible degradation in chronoamperometric (21 h) and chronopotentiometry (3000 cycles) analyses. The remarkable performance and stability are ascribed to the Fe3C NPs, novel tubular bamboo-like morphology of its carbon materials, and heteroatom doping, which contribute to the electrochemical interfaces, large surface area, active catalytic sites, and rapid charge transfer kinetics.

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  • 3.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, “Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Wu, Muqiu
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Zhu, Yudan
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Atomic force microscopy probing interactions and microstructures of ionic liquids at solid surfaces2022In: Nanoscale, ISSN 2040-3364, E-ISSN 2040-3372, no 14, p. 11098-11128Article, review/survey (Refereed)
    Abstract [en]

    Ionic liquids (ILs) are room temperature molten salts that possess preeminent physicochemical properties and have shown great potential in many applications. However, the use of ILs in surface-dependent processes, e.g. energy storage, is hindered by the lack of a systematic understanding of the IL interfacial microstructure. ILs on the solid surface display rich ordering, arising from coulombic, van der Waals, solvophobic interactions, etc., all giving near-surface ILs distinct microstructures. Therefore, it is highly important to clarify the interactions of ILs with solid surfaces at the nanoscale to understand the microstructure and mechanism, providing quantitative structure–property relationships. Atomic force microscopy (AFM) opens a surface-sensitive way to probe the interaction force of ILs with solid surfaces in the layers from sub-nanometers to micrometers. Herein, this review showcases the recent progress of AFM in probing interactions and microstructures of ILs at solid interfaces, and the influence of IL characteristics, surface properties and external stimuli is thereafter discussed. Finally, a summary and perspectives are established, in which, the necessities of the quantification of IL–solid interactions at the molecular level, the development of in situ techniques closely coupled with AFM for probing IL–solid interfaces, and the combination of experiments and simulations are argued.

  • 4.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
    Wu, Nanhua
    Key Laboratory of Advanced Catalytic Materials and Technology, School of Petrochemical Engineering, Changzhou University, Changzhou 213164, China.
    Gao, Qingwei
    College of Environmental and Chemical Engineering, Shanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power, Shanghai University of Electric Power, Shanghai 200090, China.
    Dong, Yihui
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot, 76100, Israel.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, ‘‘Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Fuchs, Harald
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China; Center for Nanotechnology (CeNTech), Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany.
    Integrative Studies of Ionic Liquid Interface Layers: Bridging Experiments, Theoretical Models and Simulations2024In: Nanoscale Horizons, ISSN 2055-6756Article in journal (Refereed)
    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.

  • 5.
    An, Rong
    et al.
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, China.
    Zheng, Hangbing
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, China.
    Dong, Yihui
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot, Israel.
    Liu, Chang
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Zou, Luyu
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, China.
    Feng, Tao
    Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, China.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing, China; Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Sweden; Centre of Advanced Research in Bionanoconjugates and Biopolymers, Petru Poni Institute of Macromolecular Chemistry, 41A, Romania; Department of Chemical and Geological Sciences, University of Cagliari, Campus Monserrato ,SS 554 Bivio per Sestu, Monserrato, Italy.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Ti-Si-Zr-Zn Nanometallic Glass Substrate with a Tunable Zinc Composition for Surface-Enhanced Raman Scattering of Cytochrome c2023In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 15, no 21, p. 25275-25284Article in journal (Refereed)
  • 6.
    Bao, Ningzhong
    et al.
    Nanjing University of Chemical Technology.
    Lu, Xiaohua
    Nanjing University of Chemical Technology.
    Ji, Xiaoyan
    Feng, Xin
    Nanjing University of Chemical Technology.
    Xie, Jingwei
    Nanjing University of Chemical Technology.
    Thermodynamic modeling and experimental verification for ion-exchange synthesis of K2O·6TiO2 and TiO2 fibers from K2O·4TiO22002In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 193, p. 229-243Article in journal (Refereed)
    Abstract [en]

    A thermodynamic model was established to determine ion-exchange conditions for the synthesis of potassium hexatitanate (K2O·6TiO2) and titanium dioxide (TiO2) from potassium tetratitanate (K2O·4TiO2) fiber. In the proposed model equilibrium species in the solid phase and corresponding ion-exchange equilibrium constants at 298.15 K were determined from the experimental data of Sasaki et al. [Inorg. Chem. 24 (1985) 2265]. In order to verify the proposed model, prediction results were compared with experimental data determined in literature and those measured in this work. The comparison shows a good agreement. Based on this, the proposed model was also used to predict more extensive suitable conditions for the synthesis of K2O·6TiO2 and TiO2.

  • 7.
    Bülow, M.
    et al.
    TU Dortmund, Dortmund, Germany.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Held, C.
    TU Dortmund, Dortmund, Germany.
    Incorporating a concentration-dependent dielectric constant into ePC-SAFT. An application to binary mixtures containing ionic liquids2019In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 492, p. 26-33Article in journal (Refereed)
    Abstract [en]

    Primitive thermodynamic models for electrolyte solutions require the dielectric constant ε. This property strongly depends on the concentration of the electrolytes in the mixture. Neglecting this dependency might be reasonable for modeling solutions at low electrolyte concentrations. However, in solutions containing ionic liquids (ILs) and especially for the calculation of liquid-liquid equilibria (LLE) of systems with ILs, liquid phases often contain high IL concentrations. At such conditions, neglecting the influence of concentration on ε is an oversimplification. In this work, an approach to account for the concentration-dependent dielectric constant within the Debye-Hückel theory was implemented into electrolyte Perturbed-Chain Statistical Associating Fluid Theory (original ePC-SAFT). This new approach was then applied to model LLE of binary mixtures containing water and commonly used hydrophobic ILs. These common ILs are comprised of the IL-cations [C n mim] + , [C n py] + , [C n mpy] + , [C n mpyr] + , [C 4 m 4 py] + and the IL-anions [BF 4 ] - , [NTf 2 ] - , [PF 6 ] - , [TFO] - . The LLE of binary mixtures water + IL were modeled at ambient pressure and different temperatures with the new ePC-SAFT and with the original ePC-SAFT [Ji et al. DOI: 10.1016/j.fluid.2012.05.029] without the concentration-dependent ε. Overall, the new approach within ePC-SAFT shows superior modeling as well as correlation capability compared to original ePC-SAFT, which was concluded by comparing both models with LLE data from literature. 

  • 8.
    Cao, Jian
    et al.
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Jiang, Guancong
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ye, Nannan
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Qin, Yao
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Feng, Xin
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Zhu, Jiahua
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Zhu, Yudan
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Xie, Wenlong
    Kunshan Jingkun Oilfield Chemical Technology Co., Ltd, Kunshan 215300, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Heterogeneous consecutive reaction kinetics of direct oxidation of H2 to H2O2: Effect and regulation of confined mass transfer2023In: Chemical Engineering Journal, ISSN 1385-8947, E-ISSN 1873-3212, Vol. 455, article id 140111Article in journal (Refereed)
    Abstract [en]

    Porous catalysts in heterogeneous reactions have played an important role in the modern chemical industry, but it is still challenging to quantitatively describe mass transfer and surface reaction behaviors of reactants in nano-confined space. Direct synthesis of hydrogen peroxide (H2O2) is considered as an attractive alternative to anthraquinone oxidation process, while the confined mass transfer of H2O2 in porous catalysts limits the reactivity. In this work, taking the consecutive reaction of H2O2 synthesis as an example, a quantitative method in modeling the effects of confined mass transfer on the reactivity was studied. More specifically, calorimetry was developed to characterize the confined structures of porous carbon experimentally, the linear nonequilibrium thermodynamics and the statistical mechanics method were further combined. Then, the heterogeneous consecutive reaction kinetics and the Thiele modulus influenced by confined mass transfer were modeled. Consequently, regulation strategies were proposed with the help of theoretical models. The optimized catalyst with biological skeleton carbon support and 0.5 wt% palladium loading shows an excellent catalytic performance. Lastly, for the mesoscience in heterogeneous reaction, the resistance was explored as a quantitative descriptor to compromise in the competition between mass transfer and surface reaction. The mesoscale structures were considered as the dynamic spatiotemporal distribution of substance concentrations, and the resistance minimization multi-scale (RMMS) model was proposed.

  • 9.
    Carvalho, Lara
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Furusjö, Erik
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. IVL – Swedish Environmental Institute, Stockholm, Sweden.
    Ma, Chunyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lundgren, Joakim
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. International Institute for Applied Systems Analysis (IIASA), Laxenburg, Austria.
    Hedlund, Jonas
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Grahn, Mattias
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Öhrman, Olov G. W.
    IVL – Swedish Environmental Institute, Stockholm, Sweden;RISE Energy Technology Center AB, Piteå, Sweden.
    Wetterlund, Elisabeth
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. International Institute for Applied Systems Analysis (IIASA), Laxenburg, Austria.
    Alkali enhanced biomass gasification with in situ S capture and a novel syngas cleaning: Part 2: Techno-economic analysis2018In: Energy, ISSN 0360-5442, E-ISSN 1873-6785, Vol. 165, no Part B, p. 471-482Article in journal (Refereed)
    Abstract [en]

    Previous research has shown that alkali addition has operational advantages in entrained flow biomass gasification and allows for capture of up to 90% of the biomass sulfur in the slag phase. The resultant low-sulfur content syngas can create new possibilities for syngas cleaning processes. The aim was to assess the techno-economic performance of biofuel production via gasification of alkali impregnated biomass using a novel gas cleaning systemcomprised of (i) entrained flow catalytic gasification with in situ sulfur removal, (ii) further sulfur removal using a zinc bed, (iii) tar removal using a carbon filter, and (iv) CO2 reductionwith zeolite membranes, in comparison to the expensive acid gas removal system (Rectisol technology). The results show that alkali impregnation increases methanol productionallowing for selling prices similar to biofuel production from non-impregnated biomass. It was concluded that the methanol production using the novel cleaning system is comparable to the Rectisol technology in terms of energy efficiency, while showing an economic advantagederived from a methanol selling price reduction of 2–6 €/MWh. The results showed a high level of robustness to changes related to prices and operation. Methanol selling prices could be further reduced by choosing low sulfur content feedstocks.

  • 10.
    Chen, Jingjing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, PR China.
    Hai, Zhong
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, PR China.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, PR China.
    Wang, Changsong
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, PR China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Heat-transfer enhancement for corn straw slurry from biogas plants by twisted hexagonal tubes2020In: Applied Energy, ISSN 0306-2619, E-ISSN 1872-9118, Vol. 262, article id 114554Article in journal (Refereed)
    Abstract [en]

    Heat-transfer geometries that enhance heat transfer performance for slurries increase the net raw biogas production in the bio-methane process. In this study, the precise temperature-dependent rheologies of corn straw slurry with 6 and 8% total solid were determined, collected, and modeled to conduct a numerical simulation via CFD, the first instance of such research. Subsequently, the reliability of the numerical results was verified with heat-transfer experiments. The heat-transfer performances of the circular, twisted square and twisted hexagonal tubes were estimated numerically, ultimately showing that the twisted hexagonal tube performed optimally with an enhancement factor of up to 2.0 in the turbulent region, compared to the circular tube. Based on the numerical results, the mechanism of heat-transfer enhancement was revealed, showing balanced radial mixing and the near-wall shear effect that leads to a strong and continuous shear rate under a considerable radial-flow intensity. An engineering equation was obtained for the performance evaluation, and the waste-heat recovery from corn straw slurry was analyzed, showing the twisted hexagonal tube can increase the net raw biogas production by up to 17.0% compared to the circular tube.

  • 11.
    Chen, Jingjing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lu, Xiaohua
    Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing .
    Wang, Changsong
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing .
    Mechanism Study of Heat Transfer Enhancement Using Twisted Hexagonal Tube with Slurry from Biogas Plant2017In: Energy Procedia, ISSN 1876-6102, Vol. 142, p. 880-885Article in journal (Refereed)
    Abstract [en]

    Waste-heat recovery from discharged slurries is important to improve the biogas production efficiency but still remains challenge duo to the special properties of slurries in anaerobic digestion process. In this work, numerical study was carried out to investigate the flow field, and heat transfer performance of slurry from biogas plant in the twisted hexagonal and other twisted tubes was simulated with computer fluid dynamic (CFD) for the first time. The numerical method was validated with experimental data from the literature. The heat transfer performance and flow resistance of twisted hexagon tube were calculated and compared with other types of twisted tubes. The enhancement factor of the twisted hexagonal tube reached to 2 and kept optimum at turbulence flow region compared to the twisted tubes with square and elliptical cross section. Meanwhile, the mechanism of heat transfer enhancement with different twisted tubes was further studied, and the optimal field synergy and minimum local circulation flow near the wall are the main reasons for the high performance and low flow resistance of the twisted hexagonal tube.

  • 12.
    Chen, Jingjing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China 210009.
    Liu, Yaoqian
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China 210009.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China 210009.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Wang, Changsong
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China 210009.
    Designing heat exchanger for enhancing heat transfer of slurries in biogas plants2019In: Innovative Solutions for Energy Transitions / [ed] Jinyue Yan; Hong-xing Yang; Hailong Li; Xi Chen, Elsevier, 2019, p. 1288-1293Conference paper (Refereed)
    Abstract [en]

    Heat transfer geometries with enhanced performance for the slurries with high viscosity can improve the net raw biogas production in bio-methane process. In this study, the rheological properties of different slurries were tested, correlated and implemented to computational fluid dynamics (CFD). CFD was then used to screen a new geometry based on the twisted tube combined with mechanism study, and experimental testing was conducted for verification. It shows that the twisted hexagonal tube (THT) has the highest performance. The mechanism for enhancing the heat transfer with THT was mainly due to the effective shear rate. Furthermore, the waste-heat recovery with the THT heat exchanger in biogas production was estimated quantitatively and compared with the normal heat exchanger and scraped-surface heat exchanger (SSHE). Compared to the normal heat exchanger, for THT, the increase of net raw biogas production δNRBP can be up to 17%, while it is only up to 8.53% for SSHE. Besides, the external heating up processes with THT and normal heat exchanger were studied to estimate the heating time for different temperature fluctuations and power requirements of boiler. It is found that the process with THT can save 25-38% heating time for the anaerobic reactor compared to the normal heat exchanger. Therefore, designed THT heat exchanger is promising, and the developed methods can also be beneficial for studying other heat transfer processes.

  • 13.
    Chen, Jingjing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Heat-transfer Enhancement with Pulsating Flow in Twisted Hexagonal Tube for Manure Slurry from Biogas Plants2020In: Proceedings of 12th International Conference on Applied Energy, 2020, Vol. 9, article id 178Conference paper (Refereed)
    Abstract [en]

    Biogas is one of the most crucial renewable energy and achieving high-efficient heat exchangers is the key to improve its production. In this study, the effect of pulsating flow on heat transfer in a twisted hexagonal tube with manure slurry was investigated for the first time by using computational fluid dynamics CFD. The performances of pulsating flows were simulated under different conditions, including the inlet velocity, frequency, and amplitude of pulsating flow in the twisted hexagonal tube with different torques. Pressure drops at different frequencies were further investigated. Moreover, the mechanism of heat-transfer enhancement was revealed with the evolution of the heat-transfer coefficient over time. It was found the pulsating flow achieves an 18.9% enhancement at low torque.

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  • 14.
    Chen, Jingjing
    et al.
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 210009, P. R. China.
    Luo, Zhongfan
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 210009, P. R. China.
    Dong, Peishi
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 210009, P. R. China.
    Wang, Shanshan
    College of Chemical Engineering, International Innovation Center for Forest Chemicals and Materials, Nanjing Forestry University, Nanjing, 210037, P. R. China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Zhu, Jiahua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 210009, P. R. China.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 210009, P. R. China.
    Mu, Liwen
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 210009 P. R. China.
    Slippage on Porous Spherical Superhydrophobic Surface Revolutionizes Heat Transfer of Non-Newtonian Fluid2022In: Advanced Materials Interfaces, ISSN 2196-7350, Vol. 9, no 34, article id 2201224Article in journal (Refereed)
    Abstract [en]

    In this study, a new strategy to achieve high-efficient heat transfer for non-Newtonian fluids with slippage using a stably prepared superhydrophobic coating is presented. A superhydrophobic coating is prepared on the inner surface of a sleeve at specific shear stress. The slippage and heat-transfer processes of the typical non-Newtonian fluid–1% carboxymethyl cellulose solutions on the superhydrophobic coating are investigated simultaneously. A novel porous spherical type of superhydrophobic coating with a contact angle of 168° is obtained. It is found that the shear stress in electrodeposition is a key parameter to control the morphology and wetting ability of the superhydrophobic coating. The slip length and enhancement factor of heat transfer for the non-Newtonian fluid on the coating are found in a range of 20–900 µm and 1.47 experimentally. A new parameter is proposed as Reynolds number Re divided by the dimensionless slip length ls* (Re/ls*) for the heat-transfer enhancement with slippage, which can be used as the guide for designing coating and selecting the operating conditions. The Re/ls* is <4, which can enhance the heat transfer via the slippage.

  • 15.
    Chen, Jingjing
    et al.
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China .
    Ma, Chunyan
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China .
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China .
    Wang, Changsong
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China .
    Mechanism Study of Waste Heat Recovery from Slurry by Surface Scraped Heat Exchanger2017In: Energy Procedia, ISSN 1876-6102, Vol. 105, p. 1109-1115Article in journal (Refereed)
    Abstract [en]

    Waste-heat recovery from discharged slurries can improve the net raw biogas production in bio-methane process in order to meet the demand of a new generation of anaerobic digestion. In order to achieve a high efficient waste-heat recovery, in this work, a mathematical model of waste-heat recovery process with surface scraped heat exchanger (SSHE) was proposed with the consideration of the shear rate and temperature-dependent rheological behaviour. The convective heat transfer performance of SSHE was calculated numerically where slurry was considered. The contribution of waste heat recovery from the slurry to biogas production by SSHE and general shell-and-tube heat exchanger (STHE) were firstly calculated quantitatively, and the increase of net raw biogas production could be over 13.5% by SSHE with need of heat exchange area less than a quarter of STHE's, which showed a great potential to increase the net raw biogas production in bio-methane process with low equipment investments and more compactible structure.

  • 16.
    Chen, Jingjing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, 210009 Nanjing, PR China.
    Risberg, Mikael
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Westerlund, Lars
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Jansson, Urban
    Boden Biogas Plant, 96138, Smidesvägen 3, Boden, Sweden.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, 210009 Nanjing, PR China.
    Wang, Changsong
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, 210009 Nanjing, PR China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    A high efficient heat exchanger with twisted geometries for biogas process with manure slurry2020In: Applied Energy, ISSN 0306-2619, E-ISSN 1872-9118, Vol. 279, article id 115871Article in journal (Refereed)
    Abstract [en]

    Heat-transfer enhancement in manure slurry is crucial for increasing the efficiency and production of biogas during anaerobic digestion in biogas plants. In this study, a novel heat exchanger with an optimal twisted geometry was developed based on the numerical screening of the twisted tubes with equilateral polygons, and experiments were conducted to validate the numerical results. It was observed that the SST k-ω model is more efficient than other turbulence models in representing the heat transfer performance of the twisted tubes, and the numerical model with a thermostatic wall can be used to reliably screen the twisted geometries. The twisted hexagonal tube has the optimal geometry, with enhancement capability of up to 1.4 times compared to that of the circular tube. The formation of high continuity regions with relatively strong heat-transfer rates along the heat-exchange wall is the main reason for the high performance during heat transfer. The external heating process was integrated in a full-scale biogas plant, and the model and algorithm were developed and validated with additional experiments to describe the overall performance of both conventional and screened optimal geometries under different conditions. It was observed that a profit equivalent to 39% of total production for a large-scale biogas plant can be achieved owing to energy conservation in external heating with the twisted hexagonal tubes.

  • 17.
    Chen, Jingjing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, 210009, Nanjing, People’s Republic of China.
    Risberg, Mikael
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Westerlund, Lars
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Jansson, Urban
    Boden Biogas Plant, Smidesvägen 3, 96138, Boden, Sweden.
    Wang, Changsong
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, 210009, Nanjing, People’s Republic of China.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, 210009, Nanjing, People’s Republic of China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Heat-transfer performance of twisted tubes for highly viscous food waste slurry from biogas plants2022In: Biotechnology for Biofuels and Bioproducts, E-ISSN 2731-3654, Vol. 15, article id 74Article in journal (Refereed)
    Abstract [en]

    Background: The use of food waste as feedstock shows high production of biogas via anaerobic digestion, but requires efficient heat transfer in food waste slurry at heating and cooling processes. The lack of rheological properties hampered the research on the heat-transfer process for food waste slurry. Referentially, the twisted hexagonal and elliptical rubes have been proved as the optimal enhanced geometry for heat transfer of medium viscous slurries with non-Newtonian behavior and Newtonian fluids, respectively. It remains unknown whether improvements can be achieved by using twisted geometries in combination with food waste slurry in processes including heating and cooling.

    Results: Food waste slurry was observed to exhibit highly viscous, significant temperature-dependence, and strongly shear-thinning rheological characteristics. Experiments confirmed the heat-transfer enhancement of twisted hexagonal tubes for food waste slurry and validated the computational fluid dynamics-based simulations with an average deviation of 14.2%. Twisted hexagonal tubes were observed to be more effective at low-temperature differences and possess an enhancement factor of up to 2.75; while twisted elliptical tubes only exhibited limited heat-transfer enhancement at high Reynolds numbers. The heat-transfer enhancement achieved by twisted hexagonal tubes was attributed to the low dynamic viscosity in the boundary layer induced by the strong and continuous shear effect near the walls of the tube.

    Conclusions: This study determined the rheological properties of food waste slurry, confirmed the heat-transfer enhancement of the twisted hexagonal tubes experimentally and numerically, and revealed the mechanism of heat-transfer enhancement based on shear rate distributions.

  • 18.
    Chen, Jingjing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University.
    Wu, Jiajun
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing .
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lu, Xiaohua
    Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing .
    Wang, Changsong
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing .
    Mechanism of waste-heat recovery from slurry by scraped-surface heat exchanger2017In: Applied Energy, ISSN 0306-2619, E-ISSN 1872-9118, Vol. 207, p. 146-155Article in journal (Refereed)
    Abstract [en]

    Waste-heat recovery from discharged slurries can improve the net raw biogas production in the bio-methane process in order to meet the demand for a next-generation of anaerobic digestion. In this study, a numerical model of a scraped-surface heat exchanger was proposed with the consideration of the complete and precise rheological behaviour of the slurry of animal manure for the first time for achieving highly efficient waste-heat recovery. The rheological model results were verified with new experimental data measured in this work. Subsequently, the convective heat-transfer coefficient of the scraped-surface heat exchanger was calculated numerically with the proposed numerical model, and the performance was determined. Then, the contributions of waste-heat recovery from the slurry to the biogas production using a general shell-and-tube heat exchanger and the scraped-surface heat exchanger were calculated quantitatively and compared. For the case of scraped-surface heat exchanger, the increase of net raw biogas production can be up to 8.53%, which indicates that there is a great potential to increase the net raw biogas production in the bio-methane process using a scraped-surface heat exchanger with low-cost equipment and a compactible structure.

  • 19.
    Chen, Yifeng
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Dai, Zhengxing
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    CO2 absorption using a hybrid 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide/titanium dioxide/polyethylene glycol absorbent2021In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 538, article id 113011Article in journal (Refereed)
    Abstract [en]

    Developing novel hybrid ionic liquid/porous material/co-solvent absorbents with the confinement effect is essential for CO2 separation. In this study, CO2 solubilities in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide/titanium dioxide/polyethylene glycol ([Hmim][Tf2N]/TiO2-PEG200) with different ratios of [Hmim][Tf2N]/TiO2 and various roughnesses of TiO2 (P25 and T500) were measured and described with the Henry's law. Furthermore, the contribution of the confinement effect on the CO2 solubility was quantified, and the relationship between the surface roughness and molecular parameters was established for predicting its contribution to the confinement effect. In addition, the hybrid absorbent was recycled by a multi-cycle experiment. The results show that the contribution of confinement effect on CO2 absorption capacity (on mass basis) and Gibbs free energy occupy around 24.5 % and 8.12 % in [Hmim][NTf2]/T500-PEG200 (w[Hmim][NTf2]/T500 = 2.88 wt%) at 308.2 K, respectively. The surface roughness can double the confinement effect. Based on the CO2 absorption capacity and enthalpy, [Hmim][NTf2]/T500-PEG200 (w[Hmim][NTf2]/T500 = 2.88 wt%) is a promising hybrid absorbent for CO2 separation.

  • 20.
    Chen, Yifeng
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Yang, Zhuhong
    Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Lu, Xiaohua
    Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Novel Solvent for CO2 Capture2019In: Energy Procedia, ISSN 1876-6102, Vol. 158, p. 5124-5129Article in journal (Refereed)
    Abstract [en]

    To develop novel solvent for CO2 capture, CO2 absorption performance using the aqueous of polyethylene glycol 200 (PEG200) and choline-2-pyrrolidinecarboxylic acid ([Cho][Pro]) was studied and evaluated systematically in this work, in which the critical properties of PEG200 were estimated with group contribution method, and other thermo-physical properties were determined experimentally or taken from literatures directly and then correlated with empirical equations. The CO2 solubility in PEG200 was measured and represented with the Henry’s law and Poynting correction, while the measured CO2 solubility in PEG200/H2O was correlated with RK-NRTL model. [Cho][Pro] was used as the chemical ingredient to enhance the absorption capacity and rate of CO2 in [Cho][Pro]/PEG200/H2O, and the corresponding properties and CO2 solubility were studied. The kinetic parameters, such as enhancement factor (E), reaction rate constant (k), and activation energy (Ea) of CO2 in [Cho][Pro]/PEG200/H2O were estimated from the new experimental data measured in this work and compared with the commercialized aqueous MEA solution. The process simulation and pilot-testing based on [Cho][Pro]/PEG200/H2O will be performed in the future.

  • 21.
    Chen, Yifeng
    et al.
    Institute of Chemical Industry of Forest Products, CAF, National Engineering Laboratory for Biomass Chemical Utilization, Key and Open Laboratory of Forest Chemical Engineering, SFA, Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Li, Bei
    Institute of Chemical Industry of Forest Products, CAF, National Engineering Laboratory for Biomass Chemical Utilization, Key and Open Laboratory of Forest Chemical Engineering, SFA, Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Wang, Ao
    Institute of Chemical Industry of Forest Products, CAF, National Engineering Laboratory for Biomass Chemical Utilization, Key and Open Laboratory of Forest Chemical Engineering, SFA, Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Wang, Kui
    Institute of Chemical Industry of Forest Products, CAF, National Engineering Laboratory for Biomass Chemical Utilization, Key and Open Laboratory of Forest Chemical Engineering, SFA, Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Xie, Jingcong
    Institute of Chemical Industry of Forest Products, CAF, National Engineering Laboratory for Biomass Chemical Utilization, Key and Open Laboratory of Forest Chemical Engineering, SFA, Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Sun, Kang
    Institute of Chemical Industry of Forest Products, CAF, National Engineering Laboratory for Biomass Chemical Utilization, Key and Open Laboratory of Forest Chemical Engineering, SFA, Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Jiang, Jianchun
    Institute of Chemical Industry of Forest Products, CAF, National Engineering Laboratory for Biomass Chemical Utilization, Key and Open Laboratory of Forest Chemical Engineering, SFA, Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Developing aqueous porous carbons for biogas upgrading2024In: Separation and Purification Technology, ISSN 1383-5866, E-ISSN 1873-3794, Vol. 329, article id 125146Article in journal (Refereed)
    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.

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  • 22.
    Chen, Yifeng
    et al.
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Li, Biao
    Sinopec Yangzi Petrochemical Company LTD., Nanjing 210048, China.
    Wu, Jian
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Yang, Zhuhong
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Kinetics study and performance comparison of CO2 separation using aqueous choline-amino acid solutions2021In: Separation and Purification Technology, ISSN 1383-5866, E-ISSN 1873-3794, Vol. 261, article id 118284Article in journal (Refereed)
    Abstract [en]

    The thermodynamic and kinetic properties of CO2 in aqueous choline-amino acids ([Cho][AA]s) are important information to demonstrate their performance. In this study, the apparent kinetic properties of CO2 in the five aqueous [Cho][AA]s, including the liquid-side mass-transfer coefficients, enhancement factor, and reaction rate constant, were systematically studied. Furthermore, a new ‘‘absorption ability’’ (AA) index was proposed, combining the apparent kinetic properties determined in this study and thermodynamic properties determined in our previous study. The CO2 separation performance using aqueous [Cho][AA]s was evaluated based on the AA and CO2 desorption enthalpy values. The results show that 30 wt% aqueous choline-serine is a promising absorbent for CO2 separation, and it is comparable to aqueous monoethanolamine.

  • 23.
    Chen, Yifeng
    et al.
    Institute of Chemical Industry of Forest Products, CAF; National Engineering Laboratory for Biomass Chemical Utilization; Key and Open Laboratory of Forest Chemical Engineering, SFA; Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Liu, Sida
    College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Sun, Kang
    Institute of Chemical Industry of Forest Products, CAF; National Engineering Laboratory for Biomass Chemical Utilization; Key and Open Laboratory of Forest Chemical Engineering, SFA; Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Jiang, Jianchun
    Institute of Chemical Industry of Forest Products, CAF; National Engineering Laboratory for Biomass Chemical Utilization; Key and Open Laboratory of Forest Chemical Engineering, SFA; Key Laboratory of Biomass Energy and Material, Nanjing 210042, China; Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China.
    Wang, Dong
    Sinopec Nanjing Research Institute of Chemical Industry Co., Ltd., Nanjing 210048, China.
    Yang, Zhuhong
    College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Kinetics study and performance evaluation of a hybrid choline-glycine/polyethylene glycol/water absorbent for CO2 separation2023In: Separation and Purification Technology, ISSN 1383-5866, E-ISSN 1873-3794, Vol. 304, article id 122410Article in journal (Refereed)
    Abstract [en]

    Thermodynamic and kinetic properties of absorbents are beneficial in evaluating their CO2 separation performance. In this study, the kinetic properties of CO2 in a hybrid choline-glycine/polyethylene glycol/water absorbent, including the liquid-side mass-transfer coefficient, enhancement factor, and reaction rate constant, were systematically determined through experimental measurements and data processing. Furthermore, an index referred to as “absorbility” was proposed to combine the kinetic properties determined in this study with the thermodynamic properties obtained in our previous study to evaluate the CO2 separation performance. Additionally, the regeneration performance of the hybrid absorbent was also conducted. The results show that the performance of the hybrid absorbent (30 wt% [Cho][Gly] + 10 wt% PEG200 + 60 wt% H2O) is comparable to that of aqueous monoethanolamine, and is thus promising for CO2 separation, considering its low regeneration temperature and low environmental impact.

  • 24.
    Chen, Yifeng
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Ma, Chunyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Yang, Zhuhong
    Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Lu, Xiaohua
    Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Thermodynamic study on aqueous polyethylene glycol 200 solution and performance assessment for CO2 separation2020In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 504, article id 112336Article in journal (Refereed)
    Abstract [en]

    To develop polyethylene glycol 200 (PEG200) and aqueous PEG200 solutions (PEG200/H2O) as solvents for CO2 separation, in this study, the available thermo-physical properties of PEG200 and PEG200/H2O measured experimentally were surveyed, evaluated, and correlated with empirical equations. The solubility of CO2 in PEG200 was also surveyed, evaluated and described with the Henry's law with the Poynting correction, while the solubilities of CH4 and N2 in PEG200 were determined experimentally and then described with the Henry's law. The CO2, CH4 and N2 solubilities in PEG200/H2O were measured and described with the Redlich–Kwong Nonrandom-Two-Liquid (RK-NRTL) model. In addition, the performances of PEG200, PEG200/H2O and other commercialized physical solvents for CO2 separation were discussed based on the properties, and the biogas upgrading was chosen as the example to quantitatively evaluate the performances of PEG200 and PEG200/H2O with process simulation and compared with the high pressure water scrubbing (HPWS). It shows that the total energy usage and the amount of recirculated solvent for biogas upgrading can decrease by 9.1% and 26.5%, respectively, when H2O is replaced by PEG200 completely.

  • 25.
    Chen, Yifeng
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Song, Shuailong
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Li, Ning
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Wu, Jian
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Developing hybrid 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide/titanium dioxide/water absorbent for CO2 separation2022In: Applied Energy, ISSN 0306-2619, E-ISSN 1872-9118, Vol. 326, article id 119972Article in journal (Refereed)
    Abstract [en]

    The development of novel absorbents is essential for improving CO2 separation technology. In this study, 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide/titanium dioxide/water ([Hmim][NTf2]/TiO2-H2O) was developed to separate CO2, where the thermodynamic and kinetic experiments were conducted, and Henry&apos;s constant and the liquid-side mass-transfer coefficient were determined accordingly. Furthermore, CO2 separation performance in a bubble tower was validated. A previously proposed index named “absorption ability” (AA) was used to predict and compare the experimental results. Additionally, the cost of biogas upgrading (i.e., CO2 removal for biogas purification) using [Hmim][NTf2]/TiO2-H2O was estimated. The results showed that for the developed [Hmim][NTf2]/TiO2-based technology, the average CO2 mass-transfer rate was increased by 20.0% compared with the current commercialized technology, and the contributions from the thermodynamic and kinetic aspects were 2.5% and 17.5%, respectively. The cost of biogas upgrading was 16.6% lower. In addition, AA successfully predicted the performance of CO2 separation technologies, achieving an average relative deviation of 8.1%.

  • 26.
    Chen, Yifeng
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Sun, Yunhao
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Yang, Zhuhong
    Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Lu, Xiaohua
    Key Laboratory of Material and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    CO2 separation using a hybrid choline-2-pyrrolidine-carboxylic acid/polyethylene glycol/water absorbent2020In: Applied Energy, ISSN 0306-2619, E-ISSN 1872-9118, Vol. 257, article id 113962Article in journal (Refereed)
    Abstract [en]

    Developing novel hybrid absorbents is essential for CO2 separation. In this study, the density and viscosity of a hybrid absorbent (choline-2-pyrrolidine-carboxylic acid/polyethylene glycol/water ([Cho][Pro]/PEG200/H2O)) were measured experimentally, and its CO2 solubility was also determined. The excess mole volume and excess Gibbs energy of activation of the hybrid absorbent were further estimated to understand the molecular structure and interactions between [Cho][Pro]/PEG200 and H2O. The CO2 solubilities in [Cho][Pro]/PEG200 and [Cho][Pro]/H2O were analyzed and described using the Redlich–Kwong non-random-two-liquid (RK-NRTL) model. Furthermore, the CO2 solubility in the hybrid absorbent was predicted using the RK-NRTL model and was compared with the new experimental results for verification. The effect of H2O on the CO2 absorption performance was further analyzed. The performance and cost of the hybrid absorbent were compared with those of other commercialized CO2 absorbents. In addition, the recyclability of the hybrid absorbent for CO2 separation was studied. The results of this study indicated that the hybrid absorbent could be promising for CO2 separation.

  • 27.
    Chen, Yifeng
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Yang, Zhuhong
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Mass-transfer kinetics of CO2 in a hybrid choline-2-pyrrolidine-carboxylic acid/polyethylene glycol/water absorbent2021In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 336, article id 116383Article in journal (Refereed)
    Abstract [en]

    Understanding the mass-transfer kinetics of CO2 in novel hybrid absorbents with physical and chemical contributions is essential for process design and evaluation. In this study, the liquid-side mass-transfer coefficients (kL) and second-order reaction rate constants (k2) of CO2 in hybrid absorbents (namely, choline-2-pyrrolidine-carboxylic acid salt/polyethylene glycol/water ([Cho][Pro]/PEG200/H2O)) were determined. The kL values for the hybrid absorbents were obtained from the CO2 diffusion coefficients (DCO2) and the kL values in PEG200/H2O. The DCO2 value was calculated from the density and viscosity of the hybrid absorbents, whereas the kL values in PEG200/H2O were measured experimentally. The k2 values of CO2 in the hybrid absorbents were estimated according to the reaction mechanism, the enhancement factor, and the kL values, and compared with those of other commercialized absorbents. The results showed that 30 wt% [Cho][Pro]+70 wt% H2O had the highest kL and k2 values at atmospheric pressure, whereas the values of kL and k2 of CO2 in 30 wt% [Cho][Pro]/H2O+PEG200 were comparable to those in diethanolamine aqueous and amino-functionalized ILs. The hybrid absorbent of [Cho][Pro]/PEG200/H2O could be promising for CO2 separation considering its thermodynamic and kinetic properties.

  • 28.
    Chen, Yifeng
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Yu, Hang
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Chen, Jingjing
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Viscous behavior of 1-hexyl-methylimidazolium bis(trifluoromethylsulfonyl)imide/titanium dioxide/polyethylene glycol2023In: Chinese Journal of Chemical Engineering, ISSN 1004-9541, E-ISSN 2210-321X, Vol. 54, p. 280-287Article in journal (Refereed)
  • 29.
    Chen, Yifeng
    et al.
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University.
    Zhang, Yingying
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University.
    Yuan, Shengjuan
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Liu, Chang
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University.
    Yang, Zhuhong
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University.
    Thermodynamic Study for Gas Absorption in Choline-2-pyrrolidine-carboxylic Acid + Polyethylene Glycol2016In: Journal of Chemical and Engineering Data, ISSN 0021-9568, E-ISSN 1520-5134, Vol. 61, no 10, p. 3428-3437Article in journal (Refereed)
    Abstract [en]

    The solubility of pure CO2, CH4, and N2 in the mixture of choline-2-pyrrolidine carboxylic acid ([Cho][Pro]) and polyethylene glycol (PEG200) (mass ratio = 1:2) was measured experimentally at temperatures from 308.15 to 338.15 K and pressures up to 28 bar, in which [Cho][Pro] is an ionic liquid and PEG200 is a cosolvent with the purpose to decrease the viscosity. It was found that [Cho][Pro]/PEG200 showed a good selectivity for CO2/CH4 and CO2/N2 separation. The measured experimental data points from this work and others were further used to estimate the thermodynamic properties including the Henry's law constants for the gases in [Cho][Pro]/PEG200, the equilibrium constant for the reaction between CO2 and [Cho][Pro], the CO2 absorption enthalpy in [Cho][Pro]/PEG200, and so forth. The consistent results of the CO2 absorption enthalpy at infinite dilution prove the reliability of the thermodynamic properties obtained in this work. The thermodynamic properties of [Cho][Pro]/PEG200 were further compared with other three typical absorbents, and the absorption enthalpy is nearly half of that for 30 wt % MEA aqueous solution. At the same time, the theoretical amount of absorbents needed for [Cho][Pro]/PEG200 is much lower than that of H2O scrubbing. This shows that [Cho][Pro]/PEG200 is a promising absorbent

  • 30.
    Dai, Fei
    et al.
    Laboratory of Distributed Energy System and Renewable Energy, Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing 100190, China.
    Zhang, Shengping
    Laboratory of Distributed Energy System and Renewable Energy, Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing 100190, China; Department of Thermal Science and Energy Engineering, University of Science and Technology of China, Hefei 230027, China.
    Luo, Yuanpei
    Laboratory of Distributed Energy System and Renewable Energy, Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing 100190, China; State Key Laboratory of Multiphase Flow in Power Engineering, Xi’an Jiaotong University, Xi’an 710049, China.
    Wang, Ke
    Beijing Key Laboratory of Ionic Liquids Clean Process, Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Innovation Academy for Green Manufacture, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China.
    Liu, Yanrong
    Beijing Key Laboratory of Ionic Liquids Clean Process, Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Innovation Academy for Green Manufacture, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Recent Progress on Hydrogen-Rich Syngas Production from Coal Gasification2023In: Processes, ISSN 2227-9717, Vol. 11, no 6, article id 1765Article in journal (Refereed)
    Abstract [en]

    Coal gasification is recognized as the core technology of clean coal utilization that exhibits significant advantages in hydrogen-rich syngas production and CO2 emission reduction. This review briefly discusses the recent research progress on various coal gasification techniques, including conventional coal gasification (fixed bed, fluidized bed, and entrained bed gasification) and relatively new coal gasification (supercritical water gasification, plasma gasification, chemical-looping gasification, and decoupling gasification) in terms of their gasifiers, process parameters (such as coal type, temperature, pressure, gasification agents, catalysts, etc.), advantages, and challenges. The capacity and potential of hydrogen production through different coal gasification technologies are also systematically analyzed. In this regard, the decoupling gasification technology based on pyrolysis, coal char–CO2 gasification, and CO shift reaction shows remarkable features in improving comprehensive utilization of coal, low-energy capture and conversion of CO2, as well as efficient hydrogen production. As the key unit of decoupling gasification, this work also reviews recent research advances (2019–2023) in coal char–CO2 gasification, the influence of different factors such as coal type, gasification agent composition, temperature, pressure, particle size, and catalyst on the char–CO2 gasification performance are studied, and its reaction kinetics are also outlined. This review serves as guidance for further excavating the potential of gasification technology in promoting clean fuel production and mitigating greenhouse gas emissions.

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  • 31.
    Dai, Zhengxing
    et al.
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Chen, Yifeng
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Liu, Chang
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Liu, Yanrong
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Swerim AB, Box 812, SE-97125 Luleå, Sweden.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Prediction and verification of heat capacities for pure ionic liquids2021In: Chinese Journal of Chemical Engineering, ISSN 1004-9541, E-ISSN 2210-321X, Vol. 31, p. 169-176Article in journal (Refereed)
    Abstract [en]

    The heat capacity of ionic liquids is an important physical property, and experimental measuring is usually used as a common method to obtain them. Owing to the huge number of ionic liquids that can be potentially synthesized, it is desirable to acquire theoretical predictions. In this work, the Conductor-like Screening Model for Real Solvents (COSMO-RS) was used to predict the heat capacity of pure ionic liquids, and an intensive literature survey was conducted for providing a database to verify the prediction of COSMO-RS. The survey shows that the heat capacity is available for 117 ionic liquids at temperatures ranging 77.66-520 K since 2004, and the 4025 data points in total with the values from 76.37 to 1484 J·mol-1·K-1 have been reported. The prediction of heat capacity with COSMO-RS can only be conducted at two temperatures (298 and 323 K). The comparison with the experimental data proves the prediction reliability of COSMO-RS, and the average relative deviation (ARD) is 8.54%. Based on the predictions at two temperatures, a linear equation was obtained for each ionic liquid, and the heat capacities at other temperatures were then estimated via interpolation and extrapolation. The acquired heat capacities at other temperatures were then compared with the experimental data, and the ARD is only 9.50%. This evidences that the heat capacity of a pure ionic liquid follows a linear equation within the temperature range of study, and COSMO-RS can be used to predict the heat capacity of ionic liquids reliably.

  • 32.
    Dai, Zhengxing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Chen, Yifeng
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Sun, Yunhao
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Zuo, Zhida
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Screening ionic liquids for developing advanced immobilization technology for CO2 separation2022In: Frontiers in Chemistry, E-ISSN 2296-2646, Vol. 10, article id 941352Article in journal (Refereed)
    Abstract [en]

    Developing immobilized-ionic liquids (ILs) sorbents is important for CO2 separation, and prior theoretically screening ILs is desirable considering the huge number of ILs. In this study, the compressibility of ILs was proposed as a new and additional index for screening ILs, and the developed predictive theoretical model, i.e., electrolyte perturbed-chain statistical associating fluid theory, was used to predict the properties for a wide variety of ILs in a wide temperature and pressure range to provide systematic data. In screening, firstly, the isothermal compressibilities of 272 ILs were predicted at pressures ranging from 1 to 6,000 bar and temperatures ranging from 298.15 to 323.15 K, and then 30 ILs were initially screened. Subsequently, the CO2 absorption capacities in these 30 ILs at temperatures from 298.15 to 323.15 K and pressures up to 50 bar were predicted, and 7 ILs were identified. In addition, the CO2 desorption enthalpies in these 7 ILs were estimated for further consideration. The performance of one of the screened ILs was verified with the data determined experimentally, evidencing that the screen is reasonable, and the consideration of IL-compressibility is essential when screening ILs for the immobilized-IL sorbents.

  • 33.
    Dai, Zhengxing
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Wang, Lei
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Zuo, Zhida
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Fan, Jing
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Lu, Xiaohua
    State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Predicting PC-SAFT parameters based on COSMO-RS2023In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905Article in journal (Refereed)
  • 34.
    Ding, Junwei
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. College of Materials and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002, China.
    Zheng, Huaiyang
    College of Materials and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    One-step side-by-side 3D printing constructing linear full batteries2022In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 58, no 34, p. 5241-5244Article in journal (Refereed)
    Abstract [en]

    A one-step side-by-side 3D printing method is proposed to construct linear lithium-, sodium-, and zinc-ion full batteries with high electrochemical performance. The inks of the battery components present shear thinning characteristics and can be printed on different substrates. This approach to design high performance linear full batteries is a general strategy.

  • 35.
    Ding, Junwei
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. College of Materials and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou, China.
    Zheng, Huaiyang
    College of Materials and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou, China.
    Wang, Shiwen
    College of Materials and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Hydrogenated borophene nanosheets based multifunctional quasi-solid-state electrolytes for lithium metal batteries2022In: Journal of Colloid and Interface Science, ISSN 0021-9797, E-ISSN 1095-7103, Vol. 615, p. 79-86Article in journal (Refereed)
    Abstract [en]

    Despite the fact that solid-state electrolytes have attracted broad research interests, the limited ion transfer and high interface impedance restrain their application in high-performance batteries with high cyclic stability and power density. Here, a new quasi-solid-state polymer electrolyte containing lightweight semiconducting hydrogenated borophene (HB) nanosheets, ionic liquids, and poly (ethylene oxide) is reported. The cyclic overpotential of the Li-Li symmetrical battery is about 65 mV lower than that of HB-free quasi-solid-state electrolyte, demonstrating the lower interface impedance. The interaction between lithium-ion and ethylene-oxide chains decreases owing to the existence of HB nanosheets and ionic liquids, which facilitates lithium-ion diffusion. The lithium bis(trifluoromethanesulfonyl)imide molecule surface adsorption at the HB nanosheets enhances the dissociation of lithium ions, and thus the matched lithium iron phosphate/Li full cell delivers the acceptable rate performance up to 5C. This work provides a new filler candidate to enhance the ionic conductivity of quasi-solid-state electrolytes that may facilitate to construct the high-performance HB nanosheets and ionic liquids-based lithium metal batteries.

  • 36.
    Dong, Yihui
    et al.
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot 76100, Israel.
    Gong, Mian
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China.
    Shah, Faiz Ullah
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm SE-10691, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, ‘‘Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    An, Rong
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Phosphonium-Based Ionic Liquid Significantly Enhances SERS of Cytochrome c on TiO2 Nanotube Arrays2022In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 14, no 23, p. 27456-27465Article in journal (Refereed)
    Abstract [en]

    Surface-enhanced Raman scattering (SERS) is an attractive technique for studying trace detection. It is of utmost importance to further improve the performance and understand the underlying mechanisms. An ionic liquid (IL), the anion of which is derived from biomass, [P6,6,6,14][FuA] was synthesized and used as a trace additive to improve the SERS performance of cytochrome c (Cyt c) on TiO2 nanotube arrays (TNAs). An increased and better enhancement factor (EF) by four to five times as compared to the system without an IL was obtained, which is better than that from using the choline-based amino acid IL previously reported by us. Dissociation of the ILs improved the ionic conductivity of the system, and the long hydrophobic tails of the [P6,6,6,14]+ cation contributed to a strong electrostatic interaction between Cyt c and the TNA surface, thereby enhancing the SERS performance. Atomic force microscopy did verify strong electrostatic interactions between the Cyt c molecules and TNAs after the addition of the IL. This work demonstrates the importance of introducing the phosphonium-based IL to enhance the SERS performance, which will stimulate further development of more effective ILs on SERS detection and other relevant applications in biology.

  • 37.
    Dong, Yihui
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented and Chemical Engineering and Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing Tech University, Nanjing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Laaksonen, Aatto
    State Key Laboratory of Materials-Oriented and Chemical Engineering and Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing Tech University, Nanjing, China. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm, Sweden. Department of Chemistry, Ångström Laboratory, Uppsala University, Uppsala, Sweden. Centre of Advanced Research in Bionanoconjugates and Biopolymers, Petru Poni Institute of Macromolecular Chemistry Aleea Grigore Ghica-Voda, Iasi, Romania.
    Cao, Wei
    State Key Laboratory of Tribology, Tsinghua University, Beijing, China.
    An, Rong
    Herbert Gleiter Institute of Nanoscience, Nanjing University of Science & Technology, Nanjing, China.
    Lu, Linghong
    State Key Laboratory of Materials-Oriented and Chemical Engineering and Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing Tech University, Nanjing, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented and Chemical Engineering and Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing Tech University, Nanjing, China.
    Determination of the small amount of proteins interacting with TiO2 nanotubes by AFM-measurement2019In: Biomaterials, ISSN 0142-9612, E-ISSN 1878-5905, Vol. 192, p. 368-376Article in journal (Refereed)
    Abstract [en]

    Detecting the small amounts of proteins interacting effectively with the solid film electrodes surface still remains a challenge. To address this, in this work, a new approach was proposed by the combination of the adhesion forces and the molecular interaction measured with AFM. Cytochrome c (Cyt C) interacting effectively with TiO2 nanotube arrays (TNAs) was chosen as a probe. The amounts of Cyt C molecules interacting effectively on TNAs surface (CTNA) range from 5.5×10-12 to 7.0×10-12 mol/cm2 (68.2-86.8 ng/cm2) and they are comparable with the values obtained by the electrochemistry method in the literature, in evidence of the accuracy of this AFM-based approach. The reliability of the proposed approach was further verified by conducting Surface Enhanced Raman Scattering (SERS) measurements and estimating the enhancement factor (EF). This interaction-based AFM approach can be used to accurately obtain the small amounts of adsorbed substances on the solid film electrodes surface in the applications such as biosensors, biocatalysis, and drug delivery, etc.

  • 38.
    Dong, Yihui
    et al.
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P.R. China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Laaksonen, Aatto
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P.R. China. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden. Centre of Advanced Research in Bionanoconjugates and Biopolymers, Petru Poni Institute of Macromolecular Chemistry, Aleea Grigore Ghica-Voda, 41A, 700487 Iasi, Romania.
    Cao, Wei
    School of Chemistry, Tel Aviv University, Tel Aviv 69978, Israel.
    He, Hongyan
    CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Beijing Key Laboratory of Ionic Liquids Clean Process, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, P. R. China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P.R. China.
    Excellent Protein Immobilization and Stability on Heterogeneous C–TiO2 Hybrid Nanostructures: A Single Protein AFM Study2020In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 36, no 31, p. 9323-9332Article in journal (Refereed)
    Abstract [en]

    Enhancing molecular interaction is critical for improving the immobilization and stability of proteins on TiO2 surfaces. In this work, mesoporous TiO2 materials with varied pore geometries were decorated with phenyl phosphoric acid (PPA), followed by a thermal treatment to obtain chemically heterogeneous C–TiO2 samples without changing the geometry and crystalline structure, which can keep the advantages of both carbon and TiO2. The molecular interaction force between the protein and the surfaces was measured using atomic force microscopy by decomposing from the total adhesion forces, showing that the surface chemistry determines the interaction strength and depends on the amount of partial carbon coverage on the TiO2 surface (∼40–80%). Samples with 58.3% carbon coverage provide the strongest molecular interaction force, consistent with the observation from the detected friction force. Surface-enhanced Raman scattering and electrochemical biosensor measurements for these C–TiO2 materials were further conducted to illustrate their practical implications, implying their promising applications such as in protein detection and biosensing.

  • 39.
    Dong, Yihui
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented and Chemical Engineering Nanjing Tech University.
    Laaksonen, Aatto
    Department of Materials and Environmental Chemistry Arrhenius Laboratory Stockholm University. Centre of Advanced Research in Bionanoconjugates and Biopolymers Petru Poni Institute of Macromolecular Chemistry Aleea Grigore Ghica-Voda, Iasi, Romania. State Key Laboratory of Materials-Oriented and Chemical Engineering Nanjing Tech University, China.
    Cao, Wei
    State Key Laboratory of Tribology Tsinghua University, Beijing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented and Chemical Engineering Nanjing Tech University Nanjing, China.
    AFM Study of pH-Dependent Adhesion of Single Protein to TiO2 Surface2019In: Advanced Materials Interfaces, ISSN 2196-7350, Vol. 6, no 14, article id 1900411Article in journal (Refereed)
    Abstract [en]

    The effect of pH-induced electrostatic conditions on the molecular interaction force of a single lysozyme molecule with TiO2 is investigated using atomic force microscopy (AFM). The force between the charged or neutral lysozyme molecule and the TiO2 surface is measured at different pH from 3.6 to 10.8. It is found to be directly proportional to the contact area, given by an effective diameter of the lysozyme molecule, and is further qualitatively verified by the AFM-measured friction coefficients. The results of the Derjaguin–Landau–Verwey–Overbeek theory show that the pH can change the surface charge densities of both lysozyme and TiO2, but the molecular interaction force at different pH is only dependent on the pH-induced effective diameter of lysozyme. The molecular interaction forces, quantified at the nanoscale, can be directly used to design high-performance liquid chromatography measurements at macroscale by tuning the retention time of a protein under varied pH conditions. They can also be applied to develop a model for predicting and controlling the chromatographic separations of proteins.

  • 40.
    Dong, Yihui
    et al.
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot 76100, Israel; State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China; Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden; Centre of Advanced Research in Bionanoconjugates and Biopolymers, Petru Poni Institute of Macromolecular Chemistry Aleea Grigore Ghica-Voda, No. 41A, 700487 Iasi, Romania.
    Gao, Qingwei
    State Key Laboratory of Chemical Engineering and School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, P. R. China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Molecular Mechanistic Insights into the Ionic-Strength-Controlled Interfacial Behavior of Proteins on a TiO2 Surface2021In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 37, no 39, p. 11499-11507Article in journal (Refereed)
    Abstract [en]

    By adjusting the ionic strengths through changing the concentration of the buffer ions, the molecular force and the interfacial behavior of cytochrome c (Cyt c) and TiO2 are systematically studied. The molecular forces determined by combining the adhesion force and adsorption capacity are found to first increase and then decrease with the increasing ionic strength, with a peak obtained at an ionic strength between 0.8 and 1.0 M. The mechanism is explained based on the dissociation and hydration of ions at the interfaces, where the buffer ions could be completely dissociated at ionic strengths of <0.8 M but were partially associated when the ionic strength increased to a high value (>1.2 M), and the strongest hydration was observed around 1.0 M. The hydrodynamic size and the zeta potential value representing the effective contact area and protein stability of the Cyt c molecule, respectively, are also affected by the hydration and are proportional to the molecular forces. The interfacial behavior of Cyt c molecules on the TiO2 surface, determined through surface-enhanced Raman scattering (SERS), is extremely affected by the ionic strength of the solution as the ion dissociation and hydration also increase the electron transfer ability, where the best SERS enhancement is observed at the ionic strength of around 1.0 M, corresponding to the largest molecular force. Our results provide a detailed understanding at the nanoscale on controlling the protein interfacial behavior with solid surfaces, adjusted by the buffer ions.

  • 41.
    Dong, Yihui
    et al.
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot 76100, Israel.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm SE-10691, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, “Petru Poni” Institute of Macromolecular Chemistry, Iasi 700469, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Gong, Mian
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P.R. China.
    An, Rong
    Herbert Gleiter Institute of Nanoscience, Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, P.R. China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Selective Separation of Highly Similar Proteins on Ionic Liquid-Loaded Mesoporous TiO22022In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 38, no 10, p. 3202-3211Article in journal (Refereed)
    Abstract [en]

    Separating proteins from their mixtures is an important process in a great variety of applications, but it faces difficult challenges as soon as the proteins are simultaneously of similar sizes and carry comparable net charges. To develop both efficient and sustainable strategies for the selective separation of similar proteins and to understand the underlying molecular mechanisms to enable the separation are crucial. In this work, we propose a novel strategy where the cholinium-based amino acid [Cho][Pro] ionic liquid (IL) is used as the trace additive and loaded physically on a mesoporous TiO2 surface for separating two similar proteins (lysozyme and cytochrome c). The observed selective adsorption behavior is explained by the hydration properties of the [Cho][Pro] loaded on the TiO2 surface and their partially dissociated ions under different pH conditions. As the pH is increased from 5.0 to 9.8, the degree of hydration of IL ions also increases, gradually weakening the interaction strength of the proteins with the substrates, more for lysozymes, leading to their effective separation. These findings were further used to guide the detection of the retention behavior of a binary mixture of proteins in high-performance liquid chromatography, where the introduction of ILs did effectively separate the two similar proteins. Our results should further stimulate the use of ILs in the separation of proteins with a high degree of mutual similarity.

  • 42.
    Dong, Yihui
    et al.
    Beijing Key Laboratory of Ionic Liquids Clean Process, CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, P. R. China.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm SE-10691, Sweden; State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China; Centre of Advanced Research in Bionanoconjugates and Biopolymers, Petru Poni Institute of Macromolecular Chemistry, Iasi 700487, Romania.
    Huo, Feng
    Beijing Key Laboratory of Ionic Liquids Clean Process, CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, P. R. China.
    Gao, Qingwei
    State Key Laboratory of Chemical Engineering and School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, P. R. China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Hydrated Ionic Liquids Boost the Trace Detection Capacity of Proteins on TiO2 Support2021In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 37, no 16, p. 5012-5021Article in journal (Refereed)
    Abstract [en]

    Trace detection based on surface-enhanced Raman scattering (SERS) has attracted considerable attention, and exploiting efficient strategies to stretch the limit of detection and understanding the mechanisms on molecular level are of utmost importance. In this work, we use ionic liquids (ILs) as trace additives in a protein-TiO2 system, allowing us to obtain an exceptionally low limit of detection down to 10–9 M. The enhancement factors (EFs) were determined to 2.30 × 104, 6.17 × 104, and 1.19 × 105, for the three systems: one without ILs, one with ILs in solutions, and one with ILs immobilized on the TiO2 substrate, respectively, corresponding to the molecular forces of 1.65, 1.32, and 1.16 nN quantified by the atomic force microscopy. The dissociation and following hydration of ILs, occurring in the SERS system, weakened the molecular forces but instead improved the electron transfer ability of ILs, which is the major contribution for the observed excellent detection. The weaker diffusion of the hydrated IL ions immobilized on the TiO2 substrate did provide a considerably greater EF value, compared to the ILs in the solution. This work clearly demonstrates the importance of the hydration of ions, causing an improved electron transfer ability of ILs and leading to an exceptional SERS performance in the field of trace detection. Our results should stimulate further development to use ILs in SERS and related applications in bioanalysis, medical diagnosis, and environmental science. 

  • 43.
    Dong, Yihui
    et al.
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot 76100, Israel.
    Lin, Weifeng
    Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot 76100, Israel.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Arrhenius Laboratory, Department of Materials and Environmental Chemistry, Stockholm University, 10691 Stockholm, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, ‘‘Petru Poni” Institute of Macromolecular Chemistry, 700469 Iasi, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Complementary Powerful Techniques for Investigating the Interactions of Proteins with Porous TiO2 and Its Hybrid Materials: A Tutorial Review2022In: Membranes, ISSN 2077-0375, E-ISSN 2077-0375, Vol. 12, no 4, article id 415Article, review/survey (Refereed)
    Abstract [en]

    Understanding the adsorption and interaction between porous materials and protein is of great importance in biomedical and interface sciences. Among the studied porous materials, TiO2 and its hybrid materials, featuring distinct, well-defined pore sizes, structural stability and excellent biocompatibility, are widely used. In this review, the use of four powerful, synergetic and complementary techniques to study protein-TiO2-based porous materials interactions at different scales is summarized, including high-performance liquid chromatography (HPLC), atomic force microscopy (AFM), surface-enhanced Raman scattering (SERS), and Molecular Dynamics (MD) simulations. We expect that this review could be helpful in optimizing the commonly used techniques to characterize the interfacial behavior of protein on porous TiO2 materials in different applications.

  • 44.
    Dong, Yihui
    et al.
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China. Beijing Key Laboratory of Ionic Liquids Clean Process, CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, P. R. China.
    Wu, Na
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm SE-10691, Sweden. Centre of Advanced Research in Bionanoconjugates and Biopolymers, Petru Poni Institute of Macromolecular Chemistry, Aleea Grigore Ghica-Voda, 41A, Iasi 700487, Romania.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China.
    Zhang, Suojiang
    Beijing Key Laboratory of Ionic Liquids Clean Process, CAS Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, P. R. China.
    Excellent Trace Detection of Proteins on TiO2Nanotube Substrates through Novel Topography Optimization2020In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 124, no 50, p. 27790-27800Article in journal (Refereed)
    Abstract [en]

    For improving the surface-enhanced Raman scattering (SERS) performance of nanomaterials to achieve trace detection of proteins and complex biological systems, structural and topographical control is one of the important strategies. In this work, a facial and effective method to optimize the topography of TiO2 nanotube arrays (TNAs) is demonstrated, together with a significant enhancement of the SERS performance of cytochrome C (Cyt C) on TNAs. An enhancement factor (EF) up to 104, which is obtained with the newly developed method on the basis of the quantification of atomic force microscopy (AFM)-measured interaction force, is achieved, corresponding to a superior detection limit of Cyt C down to 10-7 M. The main reason is that adjusting the fluoride contents in an electrolyte (from 0.4 to 0.1 wt %) can reduce the content and sizes of cracks, as well as the tube ruptures of TNAs, where the fluoride content at 0.2 wt % can successfully provide the excellent and optimized topography of TNAs. The TNAs with the optimized topography, especially those with larger tube diameters, demonstrated the importance of structural integrity on a remarkably excellent SERS performance in the trace detection of proteins. The proposed method will stimulate the development and optimization of the active substrate on the SERS applications in biology, bioanalysis, and nanoscience. © 2020 American Chemical Society.

  • 45.
    Engelbrecht, Leon de Villiers
    et al.
    Department of Chemical and Geological Sciences, University of Cagliari, Cagliari, Italy.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Carbonaro, Carlo Maria
    Department of Physics, University of Cagliari, Cagliari, Italy.
    Laaksonen, Aatto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. Department of Chemical and Geological Sciences, University of Cagliari, Cagliari, Italy; Division of Physical Chemistry, Arrhenius Laboratory, Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden; Center of Advanced Research in Bionanoconjugates and Biopolymers, “Petru Poni” Institute of Macromolecular Chemistry, Iasi, Romania; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing, China.
    Mocci, Francesca
    Department of Chemical and Geological Sciences, University of Cagliari, Cagliari, Italy.
    MD simulations explain the excess molar enthalpies in pseudo-binary mixtures of a choline chloride-based deep eutectic solvent with water or methanol2022In: Frontiers in Chemistry, E-ISSN 2296-2646, Vol. 10, article id 983281Article in journal (Refereed)
    Abstract [en]

    The addition of molecular liquid cosolvents to choline chloride (ChCl)-based deep eutectic solvents (DESs) is increasingly investigated for reducing the inherently high bulk viscosities of the latter, which represent a major obstacle for potential industrial applications. The molar enthalpy of mixing, often referred to as excess molar enthalpy HE—a property reflecting changes in intermolecular interactions upon mixing—of the well-known ChCl/ethylene glycol (1:2 molar ratio) DES mixed with either water or methanol was recently found to be of opposite sign at 308.15 K: Mixing of the DES with water is strongly exothermic, while methanol mixtures are endothermic over the entire mixture composition range. Knowledge of molecular-level liquid structural changes in the DES following cosolvent addition is expected to be important when selecting such “pseudo-binary” mixtures for specific applications, e.g., solvents. With the aim of understanding the reason for the different behavior of selected DES/water or methanol mixtures, we performed classical MD computer simulations to study the changes in intermolecular interactions thought to be responsible for the observed HE sign difference. Excess molar enthalpies computed from our simulations reproduce, for the first time, the experimental sign difference and composition dependence of the property. We performed a structural analysis of simulation configurations, revealing an intriguing difference in the interaction modes of the two cosolvents with the DES chloride anion: water molecules insert between neighboring chloride anions, forming ionic hydrogen-bonded bridges that draw the anions closer, whereas dilution of the DES with methanol results in increased interionic separation. Moreover, the simulated DES/water mixtures were found to contain extended hydrogen-bonded structures containing water-bridged chloride pair arrangements, the presence of which may have important implications for solvent applications.

  • 46.
    Fan, Jing
    et al.
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Dai, Zhengxing
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Cao, Jian
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Mu, Liwen
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Lu, Xiaohua
    State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
    Hybrid data-driven and physics-based modeling for viscosity prediction of ionic liquids2024In: Green Energy & Environment, E-ISSN 2468-0257Article in journal (Refereed)
    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.

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  • 47.
    Fan, Tengteng
    et al.
    College of Chemistry and Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing University of Technology.
    Xie, Wenlong
    College of Chemistry and Chemical Engineering, State Key Laboratory of Materials-College of Chemistry and Chemical Engineering, Nanjing University of Technology.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Liu, Cheng
    College of Chemistry and Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing University of Technology.
    Feng, Xie
    College of Chemistry and Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing University of Technology.
    Lu, Xiaohua
    College of Chemistry and Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing University of Technology.
    CO2/N2 separation using supported ionic liquid membranes with green and cost-effective [Choline][Pro]/PEG200 mixtures2016In: Chinese Journal of Chemical Engineering, ISSN 1004-9541, E-ISSN 2210-321X, Vol. 24, no 11, p. 1513-1521Article in journal (Refereed)
    Abstract [en]

    The high price and toxicity of ionic liquids (ILs) have limited the design and application of supported ionic liquid membranes (SILMs) for CO2 separation in both academic and industrial fields. In this work, [Choline][Pro]/polyethylene glycol 200 (PEG200) mixtures were selected to prepare novel SILMs because of their green and cost-effective characterization, and the CO2/N2 separation with the prepared SILMs was investigated experimentally at temperatures from 308.15 to 343.15 K. The temperature effect on the permeability, solubility and diffusivity of CO2 was modeled with the Arrhenius equation. A competitive performance of the prepared SILMs was observed with high CO2 permeability ranged in 343.3-1798.6 barrer and high CO2/N2 selectivity from 7.9 to 34.8. It was also found that the CO2 permeability increased 3 times by decreasing the viscosity of liquids from 370 to 38 mPa·s. In addition, the inherent mechanism behind the significant permeability enhancement was revealed based on the diffusion-reaction theory, i.e. with the addition of PEG200, the overall resistance was substantially decreased and the SILMs process was switched from diffusion-control to reaction-control. 

  • 48.
    Foorginezhad, Sahar
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Yu, Gangqiang
    Faculty of Environment and Life, Beijing University of Technology, Beijing, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Reviewing and screening ionic liquids and deep eutectic solvents for effective CO2 capture2022In: Frontiers in Chemistry, E-ISSN 2296-2646, Vol. 10, article id 951951Article, review/survey (Refereed)
    Abstract [en]

    CO2 capture is essential for both mitigating CO2 emissions and purifying/conditioning gases for fuel and chemical production. To further improve the process performance with low environmental impacts, different strategies have been proposed, where developing liquid green absorbent for capturing CO2 is one of the effective options. Ionic liquids (IL)/deep eutectic solvents (DES) have recently emerged as green absorbents with unique properties, especially DESs also benefit from facile synthesis, low toxicity, and high biodegradability. To promote their development, this work summarized the recent research progress on ILs/DESs developed for CO2 capture from the aspects of those physical- and chemical-based, and COSMO-RS was combined to predict the properties that are unavailable from published articles in order to evaluate their performance based on the key properties for different IL/DES-based technologies. Finally, top 10 ILs/DESs were listed based on the corresponding criteria. The shared information will provide insight into screening and further developing IL/DES-based technologies for CO2 capture.

  • 49.
    Furusjö, Erik
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. IVL Swedish Environmental Research Institute, Climate & Sustainable Cities.
    Ma, Chunyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Carvalho, Lara
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lundgren, Joakim
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Wetterlund, Elisabeth
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Alkali enhanced biomass gasification with in situ S capture and novel syngas cleaning: Part 1: Gasifier performance2018In: Energy, ISSN 0360-5442, E-ISSN 1873-6785, Vol. 157, p. 96-105Article in journal (Refereed)
    Abstract [en]

    Previous research shows that alkali addition in entrained flow biomass gasification can increase char conversion and decrease tar and soot formation through catalysis. This paper investigates two other potential benefits of alkali addition: increased slag flowability and in situ sulfur capture.

    Thermodynamic equilibrium calculations show that addition of 2–8% alkali catalyst to biomass completely changes the chemical domain of the gasifier slag phase to an alkali carbonate melt with low viscosity. This can increase feedstock flexibility and improve the operability of an entrained flow biomass gasification process. The alkali carbonate melt also leads to up to 90% sulfur capture through the formation of alkali sulfides. The resulting reduced syngas sulfur content can potentially simplify gas cleaning required for catalytic biofuel production.

    Alkali catalyst recovery and recycling is a precondition for the economic feasibility of the proposed process and is effected through a wet quench. It is shown that the addition of Zn for sulfur precipitation in the alkali recovery loop enables the separation of S, Ca and Mg from the recycle. For high Si and Cl biomass feedstocks, an alternative separation technology for these elements may be required to avoid build-up.

  • 50.
    Gao, Qingwei
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 211816, China.
    Qin, Yao
    College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 211816, China.
    Zhang, Yumeng
    College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 211816, China.
    Wang, Shanshan
    College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 211816, China.
    Zhu, Yudan
    College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 211816, China.
    Ji, Xiaoyan
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
    Lu, Xiaohua
    College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 211816, China.
    Preliminary study on mechanism of confined mass transfer and separation: "secondary confinement" effect of interfacial adsorption layer [限域传质分离机制初探:界面吸附层的"二次限域"效应]2020In: Huagong Xuebao/CIESC Journal, ISSN 0438-1157, Vol. 71, no 10, p. 4688-4695Article in journal (Refereed)
    Abstract [en]

    The confined mass transfer separation membrane is mainly for the high-precision separation process at the molecular/ion level, which is of great significance to solve the application needs of CO2 separation, azeotrope separation, lithium extraction from salt lake, desalination of seawater and so on. However, at present, the research of the confined mass transfer mechanism of this kind of membrane is lagging behind, and the theoretical models of confined mass transfer are lacking, which can no longer meet the needs of the rapid development of materials and chemical engineering. From the perspective of meso-science, the abnormal phenomenon of high flux and high selectivity of the confined mass transfer separation membrane is considered, that is, breaking through the trade-off effect, which is governed by compromise-in-competition between the selectivity mechanism and the flux mechanism. It is found that the fluid molecules will preferentially adsorb at the interface and form a stable adsorption layer. Based on this, the hypothesis of "secondary confinement" is put forward, that is, the surface induced new solid-like interface will have confinement effect on the intermediate fluid again. By comparing the pore size and the secondary confined size of the confined mass transfer separation membrane, the selective mechanism of the secondary confinement is further confirmed, and the quantitative prediction of the membrane flux and selectivity is preliminarily explored by combining the selective mechanism and the flux model, which may provide a theoretical basis for the precise construction of the limited area mass transfer membrane. © 2020, Chemical Industry Press Co., Ltd. All right reserved.

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