| 1. |
- Hosseini Bab Anari, Elham, 1982, et al.
(författare)
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Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes
- 2016
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Ingår i: RSC Advances. - : Royal Society of Chemistry (RSC). - 2046-2069. ; 6:88, s. 6, 85194-85201
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Tidskriftsartikel (refereegranskat)abstract
- A first generation of fluorine-free lithium and sodium salts based on the concept of pseudo-delocalized anions has been synthesized with both high purity and yield using water as the solvent in the reaction medium. The salts have been fully characterized by Raman and FT-IR spectroscopies, thermogravimetry, and X-ray crystallography to reveal both basic properties in terms of thermal stability and solubility as well as the local, mainly ion–ion interaction dictated, coordination details and by ionic conductivity and electrochemical stability window measurements as aqueous electrolytes. Together a picture is created of the salts' promise as components in electrolytes – primarily aiming at application in low voltage fluorinefree aqueous lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs).
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| 2. |
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| 3. |
- Eivazihollagh, Alireza, et al.
(författare)
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On chelating surfactants : Molecular perspectives and application prospects
- 2019
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Ingår i: Journal of Molecular Liquids. - : Elsevier BV. - 0167-7322 .- 1873-3166. ; 278, s. 688-705
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Tidskriftsartikel (refereegranskat)abstract
- Chelating agents, molecules that very strongly coordinates certain metal ions, are used industrially as well as in consumer products to minimize disturbances and increase performance of reactions and applications. The widely used sequestering agents, nitrilotriacetic acid (NTA), ethylenediaminetetraacetic acid (EDTA) and diethylenetriaminepentaacetic acid (DTPA) belong to this branch of readily water-soluble compounds. When these chemical structures also have hydrophobic parts, they are prone to adsorb at air-water interfaces and to self-assemble. Such bifunctional molecules can be called chelating surfactants and will have more extended utilization prospects than common chelating agents or ordinary ionic surfactants. The present review attempts to highlight the fundamental behavior of chelating surfactants in solution and at interfaces, and their very specific interactions with metal ions. Methods to recover chelating surfactants from metal chelates are also described. Moreover, utilization of chelating surfactants in applications for metal removal in environmental engineering and mineral processing, as well as for metal control in the fields of biology, chemistry and physics, is exemplified and discussed.
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| 4. |
- Forero Saboya, Juan, 1992, et al.
(författare)
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Water-in-Bisalt Electrolyte with Record Salt Concentration and Widened Electrochemical Stability Window
- 2019
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Ingår i: Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 10:17, s. 4942-4946
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Tidskriftsartikel (refereegranskat)abstract
- Water-in-salt and water-in-bisalt electrolytes have recently attracted much attention due to their expanded electrochemical stability windows. The concentration limit of such electrolytes is constrained by the solubility of the lithium salts employed, ca. 21 m (mol kg−1) for LiTFSI (lithium bis(trifluoromethanesulfonyl)imide). By adding a second lithium salt, the total salt concentration can be increased, but the hydrogen evolution keeps limiting the application of such systems in batteries with low potential anodes. Herein we report a water-in-bisalt electrolyte with a record salt concentration (31.4 m LiTFSI + 7.9 m Li[N(CH3)2((CH2)3SO3)((CH2)4SO3)]) in which the bulky anion completely prevents the crystallization, even at such low water contents. Although the hydrogen evolution reaction is not completely suppressed, the expanded electrochemical stability window allows for low potential reactions such as aluminum−lithium alloying. The high salt concentration favors the formation of a suitable passivation layer that can be further engineered by modifying the anion structure
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| 5. |
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| 6. |
- Salvador, Christian Mark, 1989, et al.
(författare)
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Indoor ozone/human chemistry and ventilation strategies
- 2019
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Ingår i: Indoor Air. - : Hindawi Limited. - 1600-0668 .- 0905-6947. ; 29:6, s. 913-925
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Tidskriftsartikel (refereegranskat)abstract
- This study aimed to better understand and quantify the influence of ventilation strategies on occupant-related indoor air chemistry. The oxidation of human skin oil constituents was studied in a continuously ventilated climate chamber at two air exchange rates (1 h-1 and 3 h-1 ) and two initial ozone mixing ratios (30 and 60 ppb). Additional measurements were performed to investigate the effect of intermittent ventilation ("off" followed by "on"). Soiled t-shirts were used to simulate the presence of occupants. A time-of-flight-chemical ionization mass spectrometer (ToF-CIMS) in positive mode using protonated water clusters was used to measure the oxygenated reaction products geranyl acetone, 6-methyl-5-hepten-2-one (6-MHO) and 4-oxopentanal (4-OPA). The measurement data were used in a series of mass balance models accounting for formation and removal processes. Reactions of ozone with squalene occurring on the surface of the t-shirts are mass transport limited; ventilation rate has only a small effect on this surface chemistry. Ozone-squalene reactions on the t-shirts produced gas-phase geranyl acetone, which was subsequently removed almost equally by ventilation and further reaction with ozone. About 70% of gas-phase 6-MHO was produced in surface reactions on the t-shirts, the remainder in secondary gas-phase reactions of ozone with geranyl acetone. 6-MHO was primarily removed by ventilation, while further reaction with ozone was responsible for about a third of its removal. 4-OPA was formed primarily on the surfaces of the shirts (~60%); gas-phase reactions of ozone with geranyl acetone and 6-MHO accounted for ~30% and ~10%, respectively. 4-OPA was removed entirely by ventilation. The results from the intermittent ventilation scenarios showed delayed formation of the reaction products and lower product concentrations compared to continuous ventilation.
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| 7. |
- Bessman, Alexander, et al.
(författare)
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Aging effects of AC harmonics on lithium-ion cells
- 2019
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Ingår i: Journal of Energy Storage. - : Elsevier. - 2352-152X .- 2352-1538. ; 21, s. 741-749
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Tidskriftsartikel (refereegranskat)abstract
- With the vehicle industry poised to take the step into the era of electric vehicles, concerns have been raised that AC harmonics arising from switching of power electronics and harmonics in electric machinery may damage the battery. In light of this, we have studied the effect of several different frequencies on the aging of 28 Ah commercial NMC/graphite prismatic lithium-ion battery cells. The tested frequencies are 1 Hz, 100 Hz, and 1 kHz, all with a peak amplitude of 21 A. Both the effect on cycled cells and calendar aged cells is tested. The cycled cells are cycled at a rate of 1C:1C, i.e., 28 A during both charging and discharging, with the exception of a period of constant voltage at the end of every charge. After running for one year, the cycled cells have completed approximately 2000 cycles. The cells are characterized periodically to follow how their capacities and power capabilities evolve. After completion of the test about 80% of the initial capacity remained and no increase in resistance was observed. No negative effect on either capacity fade or power fade is observed in this study, and no difference in aging mechanism is detected when using non-invasive electrochemical methods of post mortem investigation.
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| 8. |
- Ström, Henrik, 1981, et al.
(författare)
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Behaviour and stability of the two-fluid model for fine-scale simulations of bubbly flow in nuclear reactors
- 2015
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Ingår i: International Journal of Chemical Reactor Engineering. - : Walter de Gruyter GmbH. - 1542-6580 .- 2194-5748. ; 13:4, s. 449-459
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Tidskriftsartikel (refereegranskat)abstract
- In the present work, we formulate a simplistic two-fluid model for bubbly steam-water flow existing between fuel pins in nuclear fuel assemblies. Numerical simulations are performed in periodic 2D domains of varying sizes. The appearance of a non-uniform volume fraction field in the form of meso-scales is investigated and shown to be varying with the bubble loading and the domain size, as well as with the numerical algorithm employed. These findings highlight the difficulties involved in interpreting the occurrence of instabilities in two-fluid simulations of gas-liquid flows, where physical and unphysical instabilities are prone to be confounded. The results obtained in this work therefore contribute to a rigorous foundation in on-going efforts to derive a consistent meso-scale formulation of the traditional two-fluid model for multiphase flows in nuclear reactors.
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| 9. |
- Pfaff, S., et al.
(författare)
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Combining high-energy X-ray diffraction with Surface Optical Reflectance and Planar Laser Induced Fluorescence for operando catalyst surface characterization
- 2019
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Ingår i: Review of Scientific Instruments. - : AIP Publishing. - 0034-6748 .- 1089-7623. ; 90:3
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Tidskriftsartikel (refereegranskat)abstract
- We have combined three techniques, High Energy Surface X-Ray Diffraction (HESXRD), Surface Optical Reflectance, and Planar Laser Induced Fluorescence in an operando study of CO oxidation over a Pd(100) catalyst. We show that these techniques provide useful new insights such as the ability to verify that the finite region being probed by techniques such as HESXRD is representative of the sample surface as a whole. The combination is also suitable to determine when changes in gas composition or surface structure and/or morphology occur and to subsequently correlate them with high temporal resolution. In the study, we confirm previous results which show that the Pd(100) surface reaches high activity before an oxide can be detected. Furthermore, we show that the single crystal catalyst surface does not behave homogeneously, which we attribute to the surface being exposed to inhomogeneous gas conditions in mass transfer limited scenarios.
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| 10. |
- Jenkin, M. E., et al.
(författare)
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The CRI v2.2 reduced degradation scheme for isoprene
- 2019
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Ingår i: Atmospheric Environment. - : Elsevier BV. - 1873-2844 .- 1352-2310. ; 212:1 Sept., s. 172-182
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Tidskriftsartikel (refereegranskat)abstract
- The reduced representation of isoprene degradation in the Common Representative Intermediates (CRI)mechanism has been systematically updated, using the Master Chemical Mechanism (MCM v3.3.1)as a reference benchmark, with the updated mechanism being released as CRI v2.2. The complete isoprene degradation mechanism in CRI v2.2 consists of 186 reactions of 56 closed shell and free radical species, this being an order of magnitude reduction in size compared with MCM v3.3.1. The chemistry initiated by reaction with OH radicals, NO3 radicals and ozone (O3)is treated. An overview of the updates is provided, within the context of reported kinetic and mechanistic information. The revisions mainly relate to the OH-initiated chemistry, which tends to dominate under atmospheric conditions, although these include updates to the chemistry of products that are also generated from the O3- and NO3-initiated oxidation. The revisions have impacts in a number of key areas, including recycling of HOx and NOx. The performance of the CRI v2.2 isoprene mechanism has been compared with those of the preceding version (CRI v2.1)and the reference MCM v3.3.1 over a range of relevant conditions, using a box model of the tropical forested boundary layer. In addition, tests are carried out to ensure that the performance of MCM v3.3.1 remains robust to more recently reported information. CRI v2.2 has also been implemented into the STOCHEM chemistry-transport model, with a customized close-variant of CRI v2.2 implemented into the EMEP MSC-W chemistry-transport model. The results of these studies are presented and used to illustrate the global-scale impacts of the mechanistic updates on HOx radical concentrations.
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