| 1. |
- Chen, Yifeng, et al.
(författare)
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Thermodynamic Study for Gas Absorption in Choline-2-pyrrolidine-carboxylic Acid + Polyethylene Glycol
- 2016
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Ingår i: Journal of Chemical and Engineering Data. - : American Chemical Society (ACS). - 0021-9568 .- 1520-5134. ; 61:10, s. 3428-3437
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Tidskriftsartikel (refereegranskat)abstract
- 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
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| 2. |
- Dai, Zhengxing, et al.
(författare)
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Prediction and verification of heat capacities for pure ionic liquids
- 2021
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Ingår i: Chinese Journal of Chemical Engineering. - : Elsevier. - 1004-9541 .- 2210-321X. ; 31, s. 169-176
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Tidskriftsartikel (refereegranskat)abstract
- 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.
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| 3. |
- Gao, Lingfeng, et al.
(författare)
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Emerging applications of MXenes for photodetection : Recent advances and future challenges
- 2022
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Ingår i: Materials Today. - : Elsevier. - 1369-7021 .- 1873-4103. ; 61, s. 169-190
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Tidskriftsartikel (refereegranskat)abstract
- The development and applications of transition metal carbides, nitrides and carbonitrides, commonly denoted as MXenes, have during the last few years rapidly expanded in various technological fields owing to their unique and controllable properties. These materials exhibit competing performance comparing with traditional materials and have created numerous opportunities for technology markets. Taking the advantage of excellent optoelectronic features, MXenes have been utilized for the construction of photodetectors with various structures and unique functionalities. While the appli-cation of MXenes in this area can be traced back to 2016, we have during the recent three years witnessed a dramatic development of MXene-based photodetectors, calling for a timely review to guideline their future direction. In this work, synthetic strategies of pristine MXenes are briefly introduced and their properties are discussed focusing on the optoelectronic aspects that are fundamental for the photoelectric conversion. Recent advances of MXene-based photodetectors are comprehensively summarized based on different types of MXenes and innovative designs of device construction. Finally, we provide perspectives for future challenges and opportunities of MXene-based photodetectors, which may enlighten their further development.
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| 4. |
- He, Hanbing, et al.
(författare)
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Kinetics for Preparation of K2Ti2O5 Using TiO2 Microparticles and Nanoparticles as Precursors
- 2014
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Ingår i: Chinese Journal of Chemical Engineering. - : Elsevier BV. - 1004-9541 .- 2210-321X. ; 22:10, s. 1105-1110
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Tidskriftsartikel (refereegranskat)abstract
- The formation mechanism of K2Ti2O5 was investigated with TiO2 microparticles and nanoparticles as precursors by thermogravimetric (TG) technique. A method of direct multivariate non-linear regression was applied for simultaneous calculation of solid-state reaction kinetic parameters from TG curves. TG results show more regular decrease from initial reaction temperature with TiO2 nanoparticles as raw material compared with TiO2 microparticles, while mass losses finish at similar temperatures under the experimental conditions. From the mechanism and kinetic parameters, the reactions with the two materials are complex consecutive processes, and reaction rate constants increase with temperature and decrease with conversion. The reaction proceedings could be significantly hindered when the diffusion process of reactant species becomes rate-limiting in the later stage of reaction process. The reaction active sites on initial TiO2 particles and formation of product layers may be responsible to the changes of reaction rate constant. The calculated results are in good agreement with experimental ones.
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| 5. |
- He, Ming, et al.
(författare)
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A controllable approach for the synthesis of titanate derivatives of potassium tetratitanate fiber
- 2004
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Ingår i: Journal of Materials Science. - 0022-2461 .- 1573-4803. ; 39, s. 3745-3750
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Tidskriftsartikel (refereegranskat)abstract
- Three types titanate derivatives, K2Ti6O13 fiber, K2Ti8O17 fiber and anatase TiO2 fiber, were synthesized by ion-exchange reaction from potassium tetratitanate fiber (K2Ti4O9) based on the hydrate conditions predicted by a thermodynamic model. These products were formed by a heat treatment of the corresponding hydrate intermediates K1.33H0.67Ti4O9·H2O, KHTi4O9·0.5H2O and H2Ti4O9·1.2H2O which were quantitatively obtained by controlling the pH value and the equilibrium concentration of potassium ion. The mole ratio of Ti/K in solid phase (R) of the target products was taken as the controlling aim in the hydrate process. The temperature for heat treatment of hydrate intermediates was determined by thermogravimetry (TG) and differential scanning calorimetry (DSC). All products retained fibrous morphology similar to that of K2Ti4O9 used as the starting material.
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| 6. |
- Ji, Yuanhui, et al.
(författare)
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Modeling of specific structure crystallization coupling with dissolution
- 2010
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Ingår i: Frontiers of Chemical Science and Engineering. - : Springer Science and Business Media LLC. - 1673-7369. ; 4:1, s. 52-56
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Tidskriftsartikel (refereegranskat)abstract
- In this paper, the research framework for specific structure crystallization modeling has been proposed in which four steps are required in order to investigate the rigorous crystallization modeling by thermodynamics. The first is the activity coefficient model of the solution, the second is Solid-Liquid equilibrium, the third and fourth are the dissolution and crystallization kinetics modeling, respectively. Our investigations show that the mechanisms of complex structure formation and microphase transition can be analyzed by combining the dissolution and crystallization kinetics modeling. Moreover, the formation mechanism of the porous KCl has been analyzed, which may provide a reference for the porous structure formation in the advanced material synthesis
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| 7. |
- Ji, Yuanhui, et al.
(författare)
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Modelling of mass transfer coupling with crystallization kinetics in microscale
- 2010
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Ingår i: Chemical Engineering Science. - : Elsevier BV. - 0009-2509 .- 1873-4405. ; 65:9, s. 2649-2655
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Tidskriftsartikel (refereegranskat)abstract
- Microstructure technologies have attracted interests in chemistry, chemical engineering, and biotechnology. To investigate the mass transfer of ions and crystallization of crystals in microscale and then to explain the formation mechanism of the porous structure materials, a microscale mathematical model for mass transfer processes coupling with local reactions is proposed in which the chemical potential gradient Δμ is used as the driving force to avoid the discontinuity of the kinetics equations in the micro-channels. Meanwhile, the dissolution kinetics of KCl at 298.15 K is measured to determine the dissolution rate constant kd and the average area of crystals Ac. The investigation for the fractional crystallization process of carnallite shows that the calculated mixing time versus channel width agree with the Einstein diffusion equation, which validates that the model can be used to describe the ion diffusion very well. Meanwhile, to have an accurate Δμ of KCl, in the channel width of or narrower than 2.0×10-6 m, it is enough to consider the diffusion only, while in the channel width of or wider than 2.0×10-5 m, diffusion should be coupled with reaction. The investigation also shows the vital of the consideration of the ionic activity coefficient for the investigated systems in micron scales. Moreover, the new formation mechanism of the porous structures in the inorganic material fabrication will be proposed from the process simulation for the synthesis of porous KCl, which will provide a reference for the porous structure formation in the advanced inorganic material synthesis.
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| 8. |
- Ji, Yuanhui, et al.
(författare)
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Progress in the study on the phase equilibria of the CO2-H2O and CO2-H2O-NaCl systems
- 2007
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Ingår i: Chinese Journal of Chemical Engineering. - 1004-9541 .- 2210-321X. ; 15:3, s. 439-448
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Tidskriftsartikel (refereegranskat)abstract
- To study the feasibility of CO2 geological sequestration, it is needed to understand the complicated multiple-phase equilibrium and the densities of aqueous solution with CO2 and multi-ions under wide geological conditions (273.15-473.15 K, 0-60 MPa), which are also essential for designing separation equipments in chemical or oil-related industries. For this purpose, studies on the relevant phase equilibria and densities are reviewed and analyzed and the method to improve or modify the existing model is suggested in order to obtain more reliable predictions in a wide temperature and pressure range. Besides, three different models (the electrolyte non random two-liquid (ELECNRTL), the electrolyte NRTL combining with Helgeson model (ENRTL-HG), Pitzer activity coefficient model combining with Helgeson model (PITZ-HG)) are used to calculate the vapor-liquid phase equilibrium of CO2-H2O and CO2-H2O-NaCl systems. For CO2-H2O system, the calculation results agree with the experimental data very well at low and medium pressure (0-20 MPa), but there are great discrepancies above 20 MPa. For the water content at 473.15 K, the calculated results agree with the experimental data quite well. For the CO2-H2O-NaCl system, the PITZ-HG model show better results than ELECNRTL and ENRTL-HG models at the NaCl concentration of 0.52 mol•L-1. Bur for the NaCl concentration of 3.997 mol•L-1, using the ELECNRTL and ENRTL-HG models gives better results than using the PITZ-HG model. It is shown that available experimental data and the thermodynamic calculations can satisfy the needs of the calculation of the sequestration capacity in the temperature and pressure range for disposal of CO2 in deep saline aquifers. More experimental data and more accurate thermodynamic calculations are needed in high temperature and pressure ranges (above 398.15 K and 31.5 MPa).
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| 9. |
- Ji, Yuanhui, et al.
(författare)
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Thermodynamic analysis on the mineralization of trace organic contaminants with oxidants in advanced oxidation processes
- 2009
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Ingår i: Industrial & Engineering Chemistry Research. - : American Chemical Society (ACS). - 0888-5885 .- 1520-5045. ; 48:23, s. 10728-10733
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Tidskriftsartikel (refereegranskat)abstract
- There is a growing demand for the efficient treatment of organic polluted wastewaters by advanced oxidation processes (AOPs) which calls for the determination of the mineralization order of ease for the organic contaminants with oxidants. The mineralization abilities of organic contaminants in AOPs are investigated in this work. Photocatalytic experiments for three representative organic contaminants are carried out, and their corresponding reaction rates are determined experimentally. Meanwhile, molar Gibbs free energy changes Delta(r)G(m)degrees for the reactions of 31 organic contaminants (10 chlorinated hydrocarbons, four brominated hydrocarbons, I I aromatic hydrocarbons and their derivatives, three chloroacetic acid, and three chloroacetyl chloride) with oxidants of (OH)-O-center dot, H2O2, O-center dot(-), O-3, and O-2 are calculated, and the mineralization order of ease is determined theoretically on the basis of Delta(r)G(m)degrees. The agreement of the theoretical and experimental mineralization abilities for most of the organic contaminants investigated implies the reliability of the determination of the mineralization ability from the magnitude of Delta(r)G(m)degrees for the mineralization of trace organic contaminants. Results also show that for most of the organic contaminants studied, the mineralization abilities are (OH)-O-center dot > H2O2 > O-center dot(-) > O-3 > O-2, and the mineralization ability of the organic contaminants depends on not only the oxidants but also the structure and properties of the organic contaminants themselves, and the degradation reaction products.
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| 10. |
- Ji, Yuanhui, et al.
(författare)
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Thermodynamic study on the reactivity of trace organic contaminant with the hydroxyl radicals in waters by advanced oxidation processes
- 2009
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Ingår i: Fluid Phase Equilibria. - : Elsevier BV. - 0378-3812 .- 1879-0224. ; 277:1, s. 15-19
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Tidskriftsartikel (refereegranskat)abstract
- This paper is to investigate the degradation abilities of various chlorinated aliphatics, benzene and its derivatives in order to treat organic polluted wastewaters efficiently by advanced oxidation processes (AOPs). A thermodynamic method is proposed to calculate the standard molar Gibbs energy of formation for aqueous organic species. Using the method proposed, the standard molar Gibbs energies of formation for 31 aqueous organic species are obtained. Moreover, the molar Gibbs energy change of reaction Δr Gm0 for the organic species with hydroxyl radicals is calculated from the standard molar Gibbs energy of formation for aqueous organic species to determine the degradation order of ease for the organic species. New photocatalytic experiments are carried out for the model verification. The calculation results of the model agree with the available and new experimental results. This work shows that the thermodynamics of the degradation reaction for the organic pollutants in AOPs can find the corresponding relationships with the degradation reaction rate by experimental measurements. The work in this paper represents a success of thermodynamics for the application in environmental area.
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