Institutt for kjemi
Recent Submissions
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Circulating trace elements: Comparison between early and late incubation in common eiders (Somateria mollissima) in the central Baltic Sea
(Peer reviewed; Journal article, 2020)We analyzed body mass and a panel of 64 trace elements in blood from incubating common eiders (Somateria mollissima) in the central Baltic Sea during the breeding seasons of 2017 (n = 27) and 2018 (n = 23). Using a ... -
Entropy production beyond the thermodynamic limit from single-molecule stretching simulations
(Peer reviewed; Journal article, 2020)Single-molecular systems are a test bed to analyze to what extent thermodynamics applies when the size of the system is drastically reduced. Isometric and isotensional single-molecule stretching experiments and their ... -
Energy-Based Molecular Orbital Localization in a Specific Spatial Region
(Peer reviewed; Journal article, 2020)We present a novel energy-based localization procedure able to localize molecular orbitals into predefined spatial regions. The method is defined in a multiscale framework based on the multilevel Hartree–Fock approach. In ... -
The influence of interfacial transfer and film coupling in the modeling of distillation columns to separate nitrogen and oxygen mixtures
(Peer reviewed; Journal article, 2020)Coupling between heat and mass transfer occurs across interfaces and in vapor and liquid films. In this work, we present the first rigorous investigation of the role of these physical phenomena in the mathematical modeling ... -
Onsager-symmetry obeyed in athermal mesoscopic systems: Two-phase flow in porous media
(Peer reviewed; Journal article, 2020)We compute the fluid flow time correlation functions of incompressible, immiscible two-phase flow in porous media using a 2D network model. Given a properly chosen representative elementary volume, the flow rate distributions ... -
Multilevel coupled cluster methods for large molecular systems
(Doctoral theses at NTNU;2020:240, Doctoral thesis, 2020)The coupled cluster hierarchy of models can be used to accurately describe electronic excitations in molecular systems. However, the standard coupled cluster models are expensive and their cost severely limits the size of ... -
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
(Peer reviewed; Journal article, 2020)We present an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity. Quantum electrodynamics coupled cluster theory provides a nonperturbative description of ... -
Fe(II) stability in coastal seawater during experiments in Patagonia, Svalbard, and Gran Canaria
(Peer reviewed; Journal article, 2020)The speciation of dissolved iron (DFe) in the ocean is widely assumed to consist almost exclusively of Fe(III)-ligand complexes. Yet in most aqueous environments a poorly defined fraction of DFe also exists as Fe(II), the ... -
Simulating electron-avalanche-driven positive streamers in dielectric liquids
(Doctoral theses at NTNU;2020:289, Doctoral thesis, 2020)Summary of thesis: The thesis presents a novel predictive model for simulating positive streamers in dielectric liquids. Such liquids are commonly used for electrical insulation of high-power equipment, for example power ... -
Development of an On-Line Monitoring Platform and Procedure for Rapid Environmental and Process Monitoring of Heavy Oil Extraction Operations and Industrial Activity
(Doctoral theses at NTNU;2020:359, Doctoral thesis, 2020)Developing monitoring systems for micro-pollutants and toxic substances to be able to protect particularly valuable and vulnerable areas against negative environmental pressures and impacts, and be in the forefront concerning ... -
Facilitating microplastic quantification through the introduction of a cellulose dissolution step prior to oxidation: Proof-of-concept and demonstration using diverse samples from the Inner Oslofjord, Norway
(Peer reviewed; Journal article, 2020)Identifying and quantifying microplastic in marine samples can be facilitated by removing natural organic matter (NOM). Cellulosic material, like chitin, however, are a type of NOM that is resistant to chemical digestion, ... -
Local electric field factors by a combined charge-transfer and point-dipole interaction model
(Peer reviewed; Journal article, 2015)A force-field model for the local electric field as a linear response to a frequency-dependent external electric field is presented based on a combined charge-transfer and point–dipole interaction (CT-PDI) force-field model ... -
Comparison of Students' Perceived Learning in Two Similar Lab Courses with Different Teaching Staffs
(Journal article, 2020)At the Norwegian University of Science and Technology (NTN), two subjects with similar chemistry laboratory exercises have different practices with respect to the use of permanent and temporary staffs. In an ever-increasing ... -
Transport Properties of the Simple Lennard-Jones/Spline Fluid I: Binary Scattering and High-Accuracy Low-Density Transport Coefficients
(Peer reviewed; Journal article, 2020)Inspired by recent work on the thermodynamic properties of the Lennard-Jones/spline (LJ/s) fluid [1], we have considered the transport properties of the simple LJ/s fluid. The binary scattering problem for LJ/s particles ... -
Characterizing changes of dissolved organic matter composition with the use of distinct feeds in recirculating aquaculture systems via high-resolution mass spectrometry
(Peer reviewed; Journal article, 2020)Recirculating aquaculture systems (RAS) are a new alternative to traditional aquaculture approaches, allowing full control over the fish production conditions, while reducing the water demand. The reduction of water exchange ... -
Coupled cluster methods for nonadiabatic molecular dynamics
(Doctoral theses at NTNU;2020:241, Doctoral thesis, 2020)Reliably predicting nuclear dynamics in excited electronic states requires an accurate representation of the involved electronic states. One challenge in this respect is the correct description of electronic degeneracies, ... -
Gold(III) Complexes: Ligand Design and Catalytic Properties
(Doctoral theses at NTNU;2020:264, Doctoral thesis, 2020)Gold catalysis has become one of the fastest growing fields in organic chemistry, providing new transformations and offering excellent chemoselectivities at mild reaction conditions. So far, the main focus within Au(III) ... -
COx-free hydrogen production from ammonia – mimicking the activity of Ru catalysts with unsupported Co-Re alloys
(Peer reviewed; Journal article, 2020)On-demand production of hydrogen from ammonia is a challenge limiting the implementation of ammonia as a long term hydrogen vector to overcome the difficulties associated with hydrogen storage. Herein, we present the ... -
Energy efficiency of respiration in mature and newborn reindeer
(Peer reviewed; Journal article, 2020)Reindeer (Rangifer tarandus) have evolved elaborate nasal turbinate structures that are perfused via a complex vascular network. These are subject to thermoregulatory control, shifting between heat conservation and ... -
Microplastic accumulation by tube-dwelling, suspension feeding polychaetes from the sediment surface: A case study from the Norwegian Continental Shelf
(Peer reviewed; Journal article, 2020)Sediment samples (0–1 cm) and tube-dwelling polychaetes from the Norwegian Continental Shelf and the Barents Sea were collected, including areas close to oil and gas installations and remote locations. Microplastics (≥45 μm) ...
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