| 1. |
- Abbas, Zareen, 1962, et al.
(författare)
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Activity Coefficients of Concentrated Salt Solutions: A Monte Carlo Investigation
- 2019
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Ingår i: Journal of Solution Chemistry. - : Springer Science and Business Media LLC. - 0095-9782 .- 1572-8927. ; 48:8-9, s. 1222-1243
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Tidskriftsartikel (refereegranskat)abstract
- Monte Carlo (MC) simulations were used to calculate single ion and mean ionic activity coefficients and water activity in concentrated electrolytes and at elevated temperatures. By using a concentration dependent dielectric constant, the applicability range of the MC method was extended to 3mol·L−1 or beyond, depending on the salt. The calculated activity coefficients were fitted to experimental data by adjusting only one parameter, i.e., the cation radius. Fitted ionic radii obtained by such a procedure indicate the extent of cation–anion interaction in a salt solution. For example, the fitted radii of Li+ and Na+ in LiClO3 and NaClO3 indicate that Li+ is strongly hydrated and has a weak interaction with the ClO3− ion whereas Na+ forms ion pairs and loses its hydration. The single ion activity coefficients for protons and chloride ions in HCl were calculated by MC simulations and compared with experimental values obtained by ion selective electrodes. The calculated single ion activity coefficients for protons and chloride ions are much lower and higher, respectively, than the experimental values. However, the mean activity coefficients of HCl obtained by the MC simulations, ion selective electrodes and vapor pressure measurements are in good agreement. In the case of NaCl and KCl the calculated single ion activity coefficients of Na+, K+, and Cl− are much closer to the values obtained by ion selective electrodes. The results in HCl indicate that the hydrated proton is large and includes the chloride ion within the hydration shell, i.e., the apparent size of the chloride ion is negligible.
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| 2. |
- Babaahmadi, Arezou, 1985, et al.
(författare)
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Development of an electro-chemical accelerated ageing method for leaching of calcium from cementitious materials
- 2016
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Ingår i: Materials and Structures. - : Springer Science and Business Media LLC. - 1359-5997 .- 1871-6873. ; 49:1-2, s. 705-718
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Tidskriftsartikel (refereegranskat)abstract
- To facilitate the long term durability predictions of nuclear waste repositories, acceleration methods enhancing calcium leaching process from cementitious materials are needed, even though mechanisms not necessarily comparable to those predominant in a natural leaching process may be developed. In the previously published acceleration methods the samples are very small, which limits further physical or mechanical tests. In this paper, a new acceleration method based on electro-chemical migration is presented. The method although not driven with the same kinetics as in natural leaching, was designed in such a way that unnecessarily destructive by-effects could be minimized while promoting a higher leaching rate for a sample size suitable for further testing the mechanical and physical properties. It is shown that approximately 1x10^6 C of electrical charge per paste specimen of size Ø50 x 75 mm (approximately 230 g) is required to leach out the total amount of Portlandite. The chemical and mineralogical properties of leached samples are characterized by various techniques. It is concluded that aged samples are comparable to those leached in a natural leaching process as both are characterized by a layered system comprising an unaltered core delineated by total dissolution of Portlandite followed by a progressive decalcification of the calcium silicate hydrate gel.
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| 3. |
- Babaahmadi, Arezou, 1985, et al.
(författare)
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Physical and Mechanical Properties of Cementitious Specimens Exposed to an Electrochemically Derived Accelerated Leaching of Calcium
- 2015
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Ingår i: International Journal of Concrete Structures and Materials. - : Springer Science and Business Media LLC. - 1976-0485 .- 2234-1315. ; 9:3, s. 295-306
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Tidskriftsartikel (refereegranskat)abstract
- Simulating natural leaching process for cementitious materials is essential to perform long-term safety assessments of repositories for nuclear waste. However, the current test methods in literature are time consuming, limited to crushed material and often produce small size samples which are not suitable for further testing. This paper presents the results from the study of the physical (gas permeability as well as chloride diffusion coefficient) and mechanical properties (tensile and compressive strength and elastic modulus) of solid cementitious specimens which have been depleted in calcium by the use of a newly developed method for accelerated calcium leaching of solid specimens of flexible size. The results show that up to 4 times increase in capillary water absorption, 10 times higher gas permeability and at least 3 times higher chloride diffusion rate, is expected due to complete leaching of the Portlandite. This coincides with a 70 % decrease in mechanical strength and more than 40 % decrease in elastic modulus.
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| 4. |
- Balitskii, O. A., et al.
(författare)
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Aqueous processable WO3-x nanocrystals with solution tunable localized surface plasmon resonance
- 2016
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Ingår i: Rsc Advances. - : Royal Society of Chemistry (RSC). - 2046-2069. ; 6:64, s. 59050-59054
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Tidskriftsartikel (refereegranskat)abstract
- Heavily doped tungsten oxide nanoparticles with localized surface plasmon resonances (LSPRs) were recently highlighted as potential substitutes for noble metals in the field of plasmonic applications. Herein, oxygen deficient, spherically shaped WO3-x nanocrystals (NCs) were synthesized with a pronounced visible LSPR absorbance peak instead of a broadband tail usually observed for WO3-x nanowires. Although the tuning of the plasmon resonances was achieved mainly by changing the nanocrystals composition or solvent refraction index, we demonstrate this via the interfacial charge donation/extraction. In an aqueous NCs dispersion, the LSPR peak was either blue shifted in an acidic solution up to 80 nm or bleached by a basic solution making the NCs appropriate for sensing applications.
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| 5. |
- Brown, Matthew, et al.
(författare)
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Determination of Surface Potential and Electrical Double-Layer Structure at the Aqueous Electrolyte-Nanoparticle Interface
- 2016
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Ingår i: Physical Review X. - 2160-3308. ; 6:1
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Tidskriftsartikel (refereegranskat)abstract
- The structure of the electrical double layer has been debated for well over a century, since it mediates colloidal interactions, regulates surface structure, controls reactivity, sets capacitance, and represents the central element of electrochemical supercapacitors. The surface potential of such surfaces generally exceeds the electrokinetic potential, often substantially. Traditionally, a Stern layer of nonspecifically adsorbed ions has been invoked to rationalize the difference between these two potentials; however, the inability to directly measure the surface potential of dispersed systems has rendered quantitative measurements of the Stern layer potential, and other quantities associated with the outer Helmholtz plane, impossible. Here, we use x-ray photoelectron spectroscopy from a liquid microjet to measure the absolute surface potentials of silica nanoparticles dispersed in aqueous electrolytes. We quantitatively determine the impact of specific cations (Li + , Na + , K + , and Cs + ) in chloride electrolytes on the surface potential, the location of the shear plane, and the capacitance of the Stern layer. We find that the magnitude of the surface potential increases linearly with the hydrated-cation radius. Interpreting our data using the simplest assumptions and most straightforward understanding of Gouy-Chapman-Stern theory reveals a Stern layer whose thickness corresponds to a single layer of water molecules hydrating the silica surface, plus the radius of the hydrated cation. These results subject electrical double-layer theories to direct and falsifiable tests to reveal a physically intuitive and quantitatively verified picture of the Stern layer that is consistent across multiple electrolytes and solution conditions.
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| 6. |
- Brown, Matthew, et al.
(författare)
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Effect of Electrolyte Concentration on the Stern Layer Thickness at a Charged Interface
- 2016
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Ingår i: Angewandte Chemie International Edition. - : Wiley. - 1521-3773 .- 1433-7851. ; 55:11, s. 3790-3794
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Tidskriftsartikel (refereegranskat)abstract
- The chemistry and physics of charged interfaces is regulated by the structure of the electrical double layer (EDL). Herein we quantify the average thickness of the Stern layer at the silica (SiO2) nanoparticle/aqueous electrolyte interface as a function of NaCl concentration following direct measurement of the nanoparticles’ surface potential by X-ray photoelectron spectroscopy (XPS). We find the Stern layer compresses (becomes thinner) as the electrolyte concentration is increased. This finding provides a simple and intuitive picture of the EDL that explains the concurrent increase in surface charge density, but decrease in surface and zeta potentials, as the electrolyte concentration is increased.
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| 7. |
- Danielsson, Karin, et al.
(författare)
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Effects of the adsorption of NOM model molecules on the aggregation of TiO2 nanoparticles in aqueous suspensions
- 2018
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Ingår i: NanoImpact. - : Elsevier BV. - 2452-0748. ; 10, s. 177-187
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Tidskriftsartikel (refereegranskat)abstract
- © 2018 Interaction of synthetic TiO2(anatase) nanoparticles in aqueous suspension at pH 5 was investigated as a function of time in the presence of various organic molecules in terms of adsorption and aggregation behaviour. ζ-potential and average particle diameter were determined with electrophoretic and dynamic light scattering, respectively, while batch adsorption experiments were used to quantify the amount of organic ligand adsorbed to the TiO2NP. An IR spectroscopic study was carried out at pH 2.8 and 5 to gain information about the interactions of the adsorbed molecules with the TiO2surface on the molecular level. Furthermore, DLVO calculations provided information about the interaction energies between particles and their tendency to aggregate under some experimental conditions. Colloidal stability of TiO2NPs in the presence of organic molecules was studied during a time period of up to 90 days. Results showed that ligands with different functional groups may interact differently with the surface depending on the type and position of available surface sites, the molecular structure of the ligand and suspension pH. Adsorption, hydrodynamic diameter and ζ-potential were affected by the ligand concentration in all tested systems. Increased concentration gave rise to increased adsorption, while ζ-potential decreased and charge inversion was observed for all tested molecules at pH 5. IR spectroscopic study showed the formation of inner sphere and/or outer sphere complexes depending on pH and type of organic ligand. According to DLVO calculations, the critical coagulation concentration (CCC) indicated a trend of increasing colloidal stability with increased concentration of SRFA at pH 5, which was in agreement with the experimental data.
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| 8. |
- Fang, Zhao, 1986, et al.
(författare)
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TiO2 nanoparticle interactions with supported lipid membranes – an example of removal of membrane patches
- 2016
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Ingår i: RSC Advances. - 2046-2069. ; 6:94, s. 91102-91110
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Tidskriftsartikel (refereegranskat)abstract
- There is a need for different levels of model systems for effect studies of engineered nanoparticles and the development of nanoparticle structure–activity relationships in biological systems. Descriptors for nanoparticles based on their interactions in molecular model systems may become useful to predict toxicological responses of the nanoparticles in cells. Towards this end, we report on nanoparticle-induced formation of holes in supported model membranes. Specifically, TiO2 nanoparticle – lipid membrane interactions were studied under low ionic strength, basic conditions (pH 8), using different membrane compositions and several surface-sensitive analytical techniques. It was found that for mixed POPC/POPG (PG fractions ≥ 35%) membranes on silica supports, under conditions where electrostatic repulsion was expected, the addition of TiO2 nanoparticles resulted in transient interaction curves, consistent with the removal of part of the lipid membrane. The formation of holes was inferred from quartz crystal microbalance with dissipation (QCM-D) monitoring, as well as from optical measurements by reflectometry, and also verified by atomic force microscopy (AFM) imaging. The interaction between the TiO2 nanoparticles and the PG-containing membranes was dependent on the presence of Ca2+ ions. A mechanism is suggested where TiO2 nanoparticles act as scavengers of Ca2+ ions associated with the supported membrane, leading to weakening of the interaction between the membrane and the support and subsequent removal of lipid mass as TiO2 nanoparticles spontaneously leave the surface. This mechanism is consistent with the observed formation of holes in the supported lipid membranes.
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| 9. |
- Karlsson, Mikael, 1978, et al.
(författare)
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Characterisation of silicon, zirconium and aluminium coated titanium dioxide pigments recovered from paint waste
- 2019
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Ingår i: Dyes and Pigments. - : Elsevier BV. - 0143-7208 .- 1873-3743. ; 162, s. 145-152
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Tidskriftsartikel (refereegranskat)abstract
- © 2018 Elsevier Ltd Titanium dioxide (TiO2) is the major white pigment used by the paint industry. However, the production of TiO2is associated with a high carbon footprint. An alternative source of pigment could be created by developing a method to recover it from waste paint. In this paper two rutile pigments with different surface treatments were recovered from paint by a thermal recycling process. The pigments were analysed using powder x-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), surface area measurements (BET), laser diffraction for particle size analysis and zeta potential measurements before and after the recycling process. It was concluded that the rutile cores of both pigments were intact and there were no major changes in particle size distribution or surface charge for either pigment induced by the recycling process. However, XPS and zeta potential measurements showed that the surface coating of the pigments can be more or less degraded depending on the chemical nature, which might imply the need for further re-coating after-treatment. Another option would be to find another application for the pigment where the quality and function of the coating is of less importance.
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| 10. |
- Karlsson, Mikael, 1978, et al.
(författare)
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Surface properties of recycled titanium oxide recovered from paint waste
- 2018
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Ingår i: Progress in organic coatings. - : Elsevier BV. - 0300-9440 .- 1873-331X. ; 125, s. 279-286
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Tidskriftsartikel (refereegranskat)abstract
- Aluminium oxide coated rutile pigment was extracted from a paint matrix by means of a thermal recycling process. The objective was to investigate the effect of the recycling process on the surface properties of the pigment. The pigment was analysed using powder x-ray diffraction (XRD), surface area measurements (BET), laser diffraction for particle size analysis and X-ray photoelectron spectroscopy (XPS) before and after the recycling process. Investigations on the zeta potential and the surface charge were performed as well. It was concluded that the rutile crystalline core and the aluminium oxide coating of the pigment were still intact after the recycling process. The particle size distribution of the recycled pigment was slightly broader compared to the virgin pigment. The measured magnitude in zeta potential of the recycled pigment was lower than for the virgin pigment. This difference is thought to be caused by alteration in the surface hydroxyl concentration. Surface charge titrations showed differences between the virgin and the recycled pigment at alkaline pH and at low salt concentrations.
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