Institutt for kjemi: Nye registreringer
Viser treff 1-20 av 1359
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Veikart for industriell dyrking av tare i Trøndelag
(Research report, 2024)SAMMENDRAG • Med behovet for en mer bærekraftig matproduksjon (mer mat fra havet) og vedtatte klimamål (binding av CO2) er det en ønsket utvikling at den globale produksjonen av dyrket tare skal vokse frem mot 2030. • ... -
The influence of thermal diffusion on water migration through a porous insulation material
(Journal article; Peer reviewed, 2024)Excess water on pipes and equipment under porous insulation materials can lead to undesired corrosion. This work aims to clarify to what extent thermal diffusion affects the migration of water inside insulation materials ... -
Selective recovery of silver ions from copper-contaminated effluents using electrodialysis
(Journal article; Peer reviewed, 2024)With the growing demand for silver, the recycling of this precious metal from secondary sources has become imperative. However, the presence of copper impurities poses a significant challenge. This study aims to explore ... -
Water adsorption on surfaces of calcium aluminosilicate crystal phase of stone wool: a DFT study
(Journal article; Peer reviewed, 2024)Water adsorption on surfaces of calcium aluminosilicate crystal phase of stone wool: a DFT study -
Modeling enviromental effects with coupled cluster and particle-breaking Hartree-Fock theory
(Doctoral theses at NTNU;2024:159, Doctoral thesis, 2024)Chemical phenomena commonly occur within specific environments, such as solutions or surfaces. An emerging area, termed on-water catalysis, exemplifies this, where chemical reactions experience significant acceleration at ... -
Mie–FH: A quantum corrected pair potential in the LAMMPS simulation package for hydrogen mixtures
(Journal article; Peer reviewed, 2024)Several knowledge gaps on the properties and behavior of hydrogen must be closed to realize its widespread use as a clean fuel and reduction agent. A challenge in this regard is that hydrogen and its mixtures are influenced ... -
Stabilization of PFAS-contaminated soil with sewage sludge- and wood-based biochar sorbents
(Journal article; Peer reviewed, 2024) -
Exposure assessment of plastics, phthalate plasticizers and their transformation products in diverse bio-based fertilizers
(Peer reviewed; Journal article, 2024)Bio-based fertilizers (BBFs) produced from organic waste have the potential to reduce societal dependence on limited and energy-intensive mineral fertilizers. BBFs, thereby, contribute to a circular economy for fertilizers. ... -
Oxidative degradation of triethylene glycol
(Journal article; Peer reviewed, 2024)Triethylene glycol (TEG) is unstable in the presence of oxygen and at high temperatures, though the degradation mechanisms occurring are not properly understood. In attempting to close some of the knowledge gaps, ... -
FP-MAP: an extensive library of fingerprint-based molecular activity prediction tools
(Peer reviewed; Journal article, 2023)Discovering new drugs for disease treatment is challenging, requiring a multidisciplinary effort as well as time, and resources. With a view to improving hit discovery and lead compound identification, machine learning ... -
Improved Synthetic Methodology, Substrate Scope and X-ray Crystal Structure for N, N’-disubstituted Guanidines
(Peer reviewed; Journal article, 2024)Guanidine is a privileged scaffold in drug discovery. Herein we report our investigations into the acid promoted amination of pyrimidine-bearing cyanamide to produce N, N’-disubstituted guanidines. Hydrochloric acid was ... -
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 ... -
Thermodynamically consistent modeling of gas flow and adsorption in porous media
(Journal article; Peer reviewed, 2024)In modeling of gas flow through porous media width adsorption, the thermodynamic properties of the adsorbed phase are usually approximated by those of the bulk liquid. Using non-isothermal, gaseous transport of moist air ... -
Tracing the footprints of Arctic pollution: Spatial variations in toxic and essential elements in Svalbard reindeer (Rangifer tarandus platyrhynchus) faeces
(Journal article; Peer reviewed, 2023)The Arctic is an accumulation zone of long-range transported pollution. In addition, local anthropogenic activities further contribute to regional pollution levels. The Svalbard reindeer (Rangifer tarandus platyrhynchus) ... -
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 ... -
Per- and poly-fluoroalkyl substances in Tawny Owl (Strix aluco) feathers from Trøndelag, Norway
(Journal article; Peer reviewed, 2023)Per- and polyfluoroalkyl substances (PFASs) are contaminants of global concern due to their ubiquitous occurrence in the environment, bioaccumulation and the adverse effects on organisms. Tawny Owls (Strix aluco) are ... -
Flexible Transparent Electrodes Formed from Template-Patterned Thin-Film Silver
(Peer reviewed; Journal article, 2023)Template-patterned, flexible transparent electrodes (TEs) formed from an ultrathin silver film on top of a commercial optical adhesive – Norland Optical Adhesive 63 (NOA63) – are reported. NOA63 is shown to be an effective ... -
Per- and polyfluoroalkyl substance (PFAS) removal from soil washing water by coagulation and flocculation
(Peer reviewed; Journal article, 2024)Soil washing is currently attracting attention as a promising remediation strategy for land contaminated with per- and polyfluoroalkyl substances (PFAS). In the soil washing process, the contaminant is transferred from the ... -
Hierarchical SAPO-34 Catalysts as Host for Cu Active Sites
(Peer reviewed; Journal article, 2023)Cu-containing hierarchical SAPO-34 catalysts were synthesized by the bottom-up method using different mesoporogen templates: CTAB encapsulated within ordered mesoporous silica nanoparticles (MSNs) and sucrose. A high ... -
Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks
(Journal article, 2021)We report a production-level implementation of the equation-of-motion (EOM) coupled-cluster (CC) method with double electron-attaching (DEA) EOM operators of 2p and 3p1h types, EOM-DEA-CCSD. This ansatz, suitable for ...