Browsing Institutt for kjemi by Title
Now showing items 236-255 of 1352
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Datadrevet Prediksjon av Båndgap for Multielement Krystallinske Materialer
(Master thesis, 2019)Denne oppgaven undersøker bruken av datadrevet modellering for estimering av båndgap i multielement krystallinske materialer. Modellene ble utviklet gjennom bruk av lineære og ikke-lineære maskinlæringsalgoritmer på et ... -
De Første Stegene mot en Perturbasjonsteori for Små Systemer
(Master thesis, 2020)Tilstandsligninger (EOS) utviklet gjennom perturbasjonsteori er kjent i litteraturen og kan være et nyttig verktøy for å modellere væskeoppførsel. Selv om populære perturbasjonsteorier av f.eks. Barker-Henderson (BH) ... -
Deciphering the composition and transformation of dissolved organic matter in recirculating aquaculture systems by high-resolution mass spectrometry
(Doctoral theses at NTNU;2022:237, Doctoral thesis, 2022)The continuous increase in the human population is prompting the need for aquaculture systems able to sustain the global demand for fish without affecting the environment. Recirculating aquaculture systems (RAS) are a new ... -
Deciphering the Composition of Fulvic Acids from Recirculating Aquaculture Systems by Quadrupole Time-of-Flight Mass Spectrometry
(Peer reviewed; Journal article, 2022)The constant reuse of waters in recirculating aquaculture systems (RAS) together with the continuous addition of organic matter from fish degradation components, faeces and non-consumed feed promote the accumulation of ... -
The decomposition and emission factors of a wide range of PFAS in diverse, contaminated organic waste fractions undergoing dry pyrolysis
(Peer reviewed; Journal article, 2023)Current treatment options for organic waste contaminated with per- and polyfluoroalkyl substances (PFAS) are generally limited to incineration, composting or landfilling, all resulting in emissions. Dry pyrolysis is a ... -
Defining the pressures of a fluid in a nanoporous, heterogeneous medium
(Journal article, 2022)We describe the thermodynamic state of a single-phase fluid confined to a porous medium with Hill's thermodynamics of small systems, also known as nanothermodynamics. This way of defining small system thermodynamics, with ... -
Degradation of Amines
(Master thesis, 2013)In view of the rising amounts of greenhouse gases in the atmosphere, preventing CO2 emissions has become increasingly important. The combustion of fossil fuels for energy production and transportation is a large contributor ... -
Degradative behavior and toxicity of alkylated imidazoles
(Journal article; Peer reviewed, 2020)The thermal and oxidative degradation behavior and the corrosiveness of imidazole (Im), 2-methylimidazole (2MIm), 2-ethyl-4-methylimidazole (2E4MIm), 2,4,5-trimethylimidazole (2,4,5MIm), and 1,2,4,5-tetramethylimidazole ... -
Dementia in the National Cause of Death Registry in Norway 1969-2010
(Journal article; Peer reviewed, 2012)Background: The prevalence of dementia is expected to increase markedly during the coming decades. Epidemiological studies involving the National Cause of Death Registry (NCDR) may be useful for exploring the aetiology of ... -
Demonstrating Basic Properties and Application of Polarimetry Using a Self-Constructed Polarimeter
(Peer reviewed; Journal article, 2020)An easily constructed and inexpensive polarimeter with an optical rotation angle resolution of about 0.5° is presented. It is made from small pieces of polarizing film, 2 LEDs, a protractor, and a few wires, all held in ... -
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules
(Peer reviewed; Journal article, 2019)A general-purpose software package, termed DE Novo OPTimization of In/organic Molecules (DENOPTIM), for de novo design and virtual screening of functional molecules is described. Molecules of any element and kind, including ... -
Density-Based Formulation of Multi-Level Hartree-Fock Theory
(Master thesis, 2016)A scheme for multi-level (embedded) Hartree-Fock theory is developed. The goal is to reduce computational costs by treating different parts of an electronic system with different degrees of accuracy. In this thesis, a ... -
Deposition Patterns of PAHs, PCBs, and Selected Elements in Snow on Glaciers - Covering a Latitudinal Gradient from Southern Norway (60.54°N) to Svalbard (78.87°N)
(Master thesis, 2022)Svalbard is a remote Arctic Archipelago, often considered to have a pristine environment. However, volatile and persistent compounds have been suggested to be transported from lower latitudes to the Arctic via long-range ... -
Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models
(Peer reviewed; Journal article, 2021)n this article, we use two extensively studied systems, a retinal model system and azobenzene, to explore the use of coupled cluster models for describing ground and singlet excited state potential energy surfaces of ... -
Design of an interface to Thermodynamic Equations
(Master thesis, 2012)The basis for this task is the RGrad framework developed as part of the Doctoral Thesis of Bjørn Tore Løvfall and the continued development by his supervisor Tore Haug-Warberg. This work focuses on the Application Programming ... -
Design of multi-luminescent silica-based nanoparticles for the detection of liquid organic compounds
(Journal article; Peer reviewed, 2024)Tracer testing in reservoir formations is utilised to determine residual oil saturation as part of optimum hydrocarbon production. Here, we present a novel detection method of liquid organic compounds by monodisperse SiO2 ... -
Designing High-Refractive Index Polymers Using Materials Informatics
(Journal article; Peer reviewed, 2018)A machine learning strategy is presented for the rapid discovery of new polymeric materials satisfying multiple desirable properties. Of particular interest is the design of high refractive index polymers. Our in silico ... -
Detection of environmental nanoplastics via surface-enhanced Raman spectroscopy using high-density, ring-shaped nanogap arrays
(Peer reviewed; Journal article, 2023)Micro- and nano-plastics (MNPs) are global contaminants of growing concern to the ecosystem and human health. In-the-field detection and identification of environmental micro- and nano-plastics (e-MNPs) is critical for ... -
Determination of C0‐C9 alkyl phenols in produced water‐exposed fish eggs using gas chromatography tandem mass spectrometry
(Peer reviewed; Journal article, 2020)Rationale Produced water (PW) discharge from the oil and gas industry represents the largest intentional marine waste volume. Alkyl phenols (APs) are one of the main toxic component groups found in PW, with concentration ... -
Determination of Fe(II) and Fe(III) in Synechococcus sp. PCC 7002 culture
(Master thesis, 2018)Results presented in this thesis show Fe(II) detection in culture with goethite in addition to an increase of dFe concentration in goethite culture which have implications for a biogenic reduction mechanism in Synechococcus ...