Browsing Institutt for kjemi by Title
Now showing items 748-767 of 1379
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Nanothermodynamics and Molecular Simulations of Fluids in Porous Media
(Doctoral theses at NTNU;2022:144, Doctoral thesis, 2022)The thermodynamic and transport properties of fluids confined to porous media are in this thesis investigated with nanothermodynamics, non-equilibrium thermodynamics, and molecular simulations. Non-equilibrium thermodynamics ... -
Nanothermodynamics of a Single-Phase Fluid Confined in a Complex Porous Medium
(Master thesis, 2021)Nanotermodynamiske teorier og ideer blir her brukt på små systemer, spesifikt et porøsmedium, ved hjelp av Monte Carlo simulasjoner med Molekylær Dynamikk basert på "Grand Canonical Ensemble". Til å begynne med tester vi ... -
Natural and anthropogenic atmospheric mercury in the European Arctic: a fractionation study
(Journal article; Peer reviewed, 2011)This study reports the longest time series of GEM, RGM and particle-bound mercury (PHg) concentrations from a European Arctic site. From 27 April 2007 until 31 December 2008 composite GEM, RGM and PHg measurements were ... -
Natural and anthropogenic atmospheric mercury in the European Arctic: a speciation study
(Journal article; Peer reviewed, 2010)It is agreed that gaseous elemental mercury (GEM) is converted to reactive gaseous mercury (RGM) during springtime Atmospheric Mercury Depletion Event (AMDE). RGM is associated with aerosols (PHg) provided that there are ... -
Nature-inspired geometrical design of a chemical reactor
(Journal article; Peer reviewed, 2019)We explore the possibility to actively use the system geometry to search for states of minimum entropy production in a chemical reactor. This idea is inspired by the energy-efficient mass and energy transfer that takes ... -
Nedfall av tungmetaller på Sør- og Vestlandet. - Jord- og moseprøver langs høydegradienter.
(Master thesis, 2017)I denne masteroppgaven er det analysert jord- og moseprøver for å undersøke sammenhengen mellom tungmetallkonsentrasjoner og høyde over havet. Prøvene ble hentet langs 10 ulike høydegradienter på Sør- og Vestlandet i august ... -
Nedfall av tungmetaller rundt norske industrier studert ved analyse av mose: Undersøkelse i 2010
(NILU OR (NILU Oppdragsrapport);, Research report, 2011)Etter oppdrag fra Klima- og forurensningsdirektoratet er det gjennomført en undersøkelse av atmosfærisk nedfall av tungmetaller i nærområdet til 16 industribedrifter på 13 forskjellige steder i Norge. Undersøkelsen er ... -
A new and efficient implementation of CC3
(Peer reviewed; Journal article, 2020)We present a new and efficient implementation of the closed shell coupled cluster singles and doubles with perturbative triples method (CC3) in the electronic structure program eT. Asymptotically, a ground state calculation ... -
New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering
(Journal article; Peer reviewed, 2023)We present an implementation of a damped response framework for calculating resonant inelastic X-ray scattering (RIXS) at the equation-of-motion coupled-cluster singles and doubles (CCSD) and second-order approximate ... -
New Methods for Preparationof Optically Active Unsaturated Amines
(Doktoravhandlinger ved NTNU, 1503-8181; 2009:12, Doctoral thesis, 2009) -
New Polyalkylated Imidazoles Tailored for Carbon Dioxide Capture
(Journal article; Peer reviewed, 2018)Aqueous polyalkylated imidazoles have gained interest as potential CO2 capture solvents due to their high oxidative stability and low vapor pressures compared to traditional amines. In this work, 21 aqueous solutions of ... -
A NEXAFS study of thymine tautomers using coupled cluster methods
(Master thesis, 2018)The gas phase geometries of the thirteen different tautomers of thymine were optimized at the level of coupled cluster singles, doubles and perturbative triples, CCSD(T), using an aug-cc-pVDZ basis set. The total energy ... -
Nickel incorporated silica aerogels for the catalytic hydration of carbon dioxide.
(Master thesis, 2023)Denne oppgaven investigerer potensialet for å inkorporere nikkel i en silika aerogel atomisk og om en slik katalysator vil være aktiv for hydrering av karbondioksid. For å oppnå dette ble det brukt en optimalisert medforløper ... -
Nitrifying biofilms deprived of organic carbon show higher functional resilience to increases in carbon supply
(Peer reviewed; Journal article, 2020)In nitrifying biofilms, the organic carbon to ammonia nitrogen (C/N) supply ratio can influence resource competition between heterotrophic and nitrifying bacteria for oxygen and space. We investigated the impact of acute ... -
Nitropyridine carbamates, amides and carboxylates in heterocyclic chemistry
(Doktoravhandlinger ved NTNU, 1503-8181; 2006:44, Doctoral thesis, 2006)Based on new methodology for nitration of pyridine and pyridine derivatives developed at our department by Professor Jan Bakke and coworkers at NTNU, a whole range of substituted nitropyridines are now readily available. ... -
Nitropyridines in Organic Synthesis. 2.5-Disubstituted Pyridine Compounds
(Doktoravhandlinger ved NTNU, 1503-8181; 2004:34, Doctoral thesis, 2004)The goal of this project was to explore how 5-nitropyridine-2-sulfonic acid (18) and its potassium salt (18a) could be utilised as starting materials for 2,5- substituted pyridines. Compounds 18/18a were prepared by oxidation ... -
Nitrous oxide and hydrogen sulfide production in sludge from a recirculating aquaculture system (RAS)
(Master thesis, 2021)Recirculating aquaculture systems (RAS) blir mer og mer vanlig, som svar på de økologiske og økonomiske problemene som finnes i oppdrettsnæringen. Sjøvann brukt i marine RAS er rikt på sulfat, og kombinert med organisk ... -
Non-equilibrium molecular dynamics simulations of the transient Ludwig-Soret effect in a binary Lennard-Jones/spline mixture
(Journal article, 2017)A binary isotope mixture of Lennard-Jones/spline particles at equilibrium was perturbed by a sudden change in the system's boundary temperatures. The system's response was determined by non-equilibrium molecular dynamics ... -
Non-equilibrium thermodynamics and nature-inspired chemical engineering applied to PEM fuel cells
(Doctoral theses at NTNU;2021:38, Doctoral thesis, 2021)The first objective of this thesis is to discover potentials for the optimisation of the performance of polymer electrolyte membrane (PEM) fuel cells by using new designs for the flow field plates (FFP) based on nature-inspired ...