| 1. |
- 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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| 2. |
- George, Zandra, 1985, et al.
(författare)
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Two-in-one : Cathode modification and improved solar cell blend stability through addition of modified fullerenes
- 2016
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 4:7, s. 2663-2669
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Tidskriftsartikel (refereegranskat)abstract
- The synthesis of dual purpose modified fullerenes with pyridine-as well as amine-functional groups is reported. Addition of these fullerenes to a polymer : fullerene bulk-heterojunction blend based on a thiophene-quinoxaline donor polymer is found to modify the active layer/cathode interface of inverted solar cells (glass/ITO/active layer/MoO3/Al). In particular the open-circuit voltage of devices is increased from 0.1 V to about 0.7 V, which results in a drastic rise in photovoltaic performance with a power conversion efficiency of up to 3%. At the same time, presence of the functionalised fullerene additives prevents the detrimental formation of micrometre-sized fullerene crystals upon annealing at 140 degrees C. As a result, the device performance is retained, which promises significantly increased thermal stability of the bulk-heterojunction blend nanostructure.
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| 3. |
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| 4. |
- van den Bossche, Maxime, 1989
(författare)
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Methane oxidation over palladium oxide. From electronic structure to catalytic conversion
- 2017
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Understanding how catalysts work down to the atomic level can provide ways to improve chemical processes on which our contemporary economy is heavily reliant. The oxidation of methane is one such example, which is important from an environmental point of view. Methane is a potent greenhouse gas and natural and biogas vehicles need efficient catalysts to prevent slip of uncombusted fuel into the exhaust. Commercial catalysts for methane oxidation are often based on palladium or platinum. Metallic palladium, however, is easily converted to palladium oxide when the engine is operated at oxygen rich conditions. In this thesis, various aspects of complete methane oxidation over PdO(101) are investigated with computational methods based on density functional theory (DFT). PdO(101) is the active surface for methane oxidation, and firstly, the reaction intermediates CO and H are studied in detail. Possible pathways for H2 adsorption, dissociation and eventual water formation are investigated, in connection to core-level spectroscopy experiments. Similarly, the adsorption configurations for carbon monoxide on clean and oxidized palladium are examined with a combination of DFT calculations, core-level and infrared spectroscopy. Secondly, a detailed kinetic model is constructed that describes the catalytic conversion of CH4 to CO2 and H2O over PdO(101). This is done in a first-principles microkinetics framework, where the kinetic parameters are obtained by applying density functional and transition state theory. The kinetic model provides a fundamental understanding of findings from reactor experiments, such as the rate limiting steps and poisoning behaviour, and shows qualitatively different behaviour of adsorbates on oxide as compared to metal surfaces. Lastly, limitations of the commonly used class of generalized gradient functionals are illustrated in the computation of several properties of adsorbates on metal oxide surfaces. These include core-level shifts and thermodynamic and reactive properties of adsorbates on the PdO(101) surface. Similarly, the description of several molecular and cooperative adsorption processes are also found to be sensitive to the applied exchange-correlation functional on the BaO(100), TiO2(110) and CeO2(111) surfaces.
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| 5. |
- Arvidsson, Adam, 1990
(författare)
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Partial methane oxidation from electronic structure calculations
- 2017
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Licentiatavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Investigating catalytic reactions with computational methods is a powerful approach to understand fundamental aspects of catalytic reactions and find ways to guide catalytic design. Partial methane oxidation is one example of a reaction with intriguing challenges, where a detailed atomistic approach may help to unravel the bottlenecks of this, as of yet, inefficient reaction. Although methane only needs one oxygen atom for conversion to methanol, the direct oxidation is difficult; it is in fact so difficult that at many oil extraction sites, the methane that inevitably accompanies the crude oil is flared into carbon dioxide and water as gas-phase methane is too inconvenient to store and transport.The main challenge with partial oxidation of methane is to selectively control the oxidation and steer it towards methanol and prevent over-oxidation to CO2. There exist natural enzymes that can partially oxidize methane to methanol at ambient pressure and temperature, although very slowly. One inorganic analogue to these naturally occurring enzymes are zeolites, a porous material that can readily be synthesized and that have been shown to convert methane to methanol at ambient conditions with a high selectivity (>90 %). This has been realized for zeolites ion-exchanged with different metals, such as iron, cobalt, nickel, and copper. Although there have been many attempts to determine the active site for the reaction, there is still no consensus. One candidate that has been put forth is a [Cu-O-Cu]2+ motif experimentally characterized in the ZSM-5 zeolite. In this thesis, partial oxidation of methane is investigated, focusing on this dimer motif. By combining density functional theory calculations with microkinetic modelling, the catalytic performance of the dimer motif is investigated with a simple reaction mechanism for copper, but also with the copper atoms exchanged with nickel, cobalt, iron, silver, or gold. From these results, it is clear that this particular dimer site is a relevant candidate only for copper, and can be excluded in the continued search for active sites in nickel, cobalt, and iron ion-exchanged ZSM-5.To further understand how methanol is formed and interacts with Cu-ZSM-5, experimental and calculated infrared frequencies are compared for methanol and other adsorbates. The partial oxidation of methane is also studied for other systems with oxidants other than oxygen. In particular, methane oxidation with H2S to CH3SH and H2 is explored on molybdenum sulfide clusters.
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| 6. |
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| 7. |
- Sandström, Olof, et al.
(författare)
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Miljöpåverkan av skogsindustriutsläpp
- 1997
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Ingår i: Naturvårdsverkets rapportserie. Rapport 4695. ; , s. 1-89
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)
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| 8. |
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| 9. |
- Sauer, Christopher, 1993
(författare)
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Green Aromatics: Catalytic Valorisation of bio-derived 2,5-dimethylfuran over Zeolites and Zeotypes
- 2022
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- This thesis discusses the use of biomass as a potentially green feedstock for the chemical industry in the urgent shift away from fossil resources. I elaborate on reasons why we cannot afford to burn virgin biomass for energy production, among them a variety of ecosystem services that forests and other lands provide. In addition, the utilisation of biomass should be focused on products that sequester and lock away carbon for more extended periods, e.g. timber, materials and chemicals. In particular, biomass can be used as an alternative "carbon neutral" feedstock for the chemical industry, where we can preserve the already existing chemical complexity in the bio-based molecules. One example is the upgrading of furans to benzene, toluene and xylene (BTX) aromatics with the help of zeolite catalysis. These aromatics are important commodity chemicals, where the shift to a bio-based resource could make use of already existing knowledge, catalyst and production infrastructure. However, research is necessary to understand these new feedstock molecules and their interaction with the catalysts and to enable the design of applicable catalysts. In order to study the interaction of the furans, in particular 2,5-dimethylfuran (2,5-dmf), I describe and discuss the development of an analytical methodology that utilises infrared spectroscopy and mass spectrometry for the on-line identification and quantification of product molecules during catalytic reactions. This on-line analysis method is then applied to the catalytic conversion of 2,5-dmf to aromatics over a range of zeolite and zeotype catalysts. In-depth studies with ammonia as a probe molecule of the catalytic active acid sites, as well as temperature programmed experiments with ammonia and 2,5-dmf give insights into product distribution, selectivity changes and deactivation of the catalyst. For example, olefins and aromatics are initially preferred products, while with increasing time on stream, the isomerisation of 2,5-dmf becomes dominant. The incorporation of Ga into the zeotype framework, resulting in a Ga-Silicate, shows how targeted catalyst design can increase overall aromatics production. This catalyst is also suitable for selective isomerisation of 2,5-dmf to 2,4-dimethylfuran, which has a rare substitution pattern. Finally, itwas found that the most valuable of BTX, p -xylene, can be produced more selectively when 2,5-dmf is pre-adsorbed onto zeolite ZSM-5 and then released during a temperature programmed product desorption.
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| 10. |
- Stedt, Kristoffer, 1991, et al.
(författare)
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Post-harvest cultivation with seafood process waters improves protein levels of Ulva fenestrata while retaining important food sensory attributes
- 2022
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Ingår i: Frontiers in Marine Science. - : Frontiers Media SA. - 2296-7745.
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Tidskriftsartikel (refereegranskat)abstract
- Seaweed aquaculture can provide the growing human population with a sustainable source of proteins. Sea-based cultivation is an effective method for farming seaweeds on a large scale and can yield high biomass output. However, the quality and biochemical composition of the biomass is seasonally dependent, which limits the harvests to certain periods of the year. Here we show the possibility to extend the sea-based cultivation season of Ulva fenestrata when aiming for high protein levels, by post-harvest treatment in herring production process waters. We harvested U. fenestrata at an optimal period in terms of yield, but suboptimal in terms of protein content. We then cultivated the seaweed in onshore tank systems with the nutrient-rich process waters for 14 days. We monitored biomass yield, crude protein content, amino acid composition, and content of the health concerning metals arsenic, mercury, lead, and cadmium, as well as the sensory properties of the dried biomass. After cultivation in the process waters, biomass yields were 30 - 40% higher (210 – 230 g fresh weight) compared to in seawater (160 g fresh weight). Also, the crude protein and amino acid content increased three to five times in the process waters, reaching 12 - 17 and 15 – 21% dry weight, respectively. The protein enriched biomass followed food graded standards for heavy metal content, and consumption of the biomass does not exceed health based reference points. Additionally, no sensory attributes regarded as negative were found. This rapid, post-harvest treatment can help extend the cultivation season of sea-based seaweed farms, maximizing their output of sustainable proteins.
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