Sökning: "fysikalisk modellering"
Visar resultat 11 - 15 av 23 avhandlingar innehållade orden fysikalisk modellering.
11. A Study of Parameters that Influence the Kinetics of the AOD Decarburisation Process
Sammanfattning : This thesis focuses on the AOD process, which is an important metallurgical reactor in stainless steel production. To be more specific, the thesis is limited to study the decarburisation step, which is the first of three process steps in the AOD converter. LÄS MER
12. Interactions in aqueous salt solutions : Atomistic modelling versus experiment
Sammanfattning : The research in this thesis investigates how atoms and molecules constituting aqueous salt solutions interact using computational approaches, namely Monte Carlo simulations and molecular dynamics simulations. In the first paper, an atomistic model was developed for aqueous solutions of sodium thiocyanate and potassium thiocyanate (NaSCN and KSCN). LÄS MER
13. Ultrafast Dynamics in Ground and Excited States of Porphyrin Molecules
Sammanfattning : This thesis describes inter and intramolecular dynamics in porphyrin molecules. To create a basis for understanding the energy and electron transfer processes in photosynthesis, the ultrafast dynamics of monomeric chlorophyll a, chlorophyll b and bacteriochlorophyll a were studied with ultrashort laser pulses. LÄS MER
14. Modelling and experimental testing of truck tyre rolling resistance
Sammanfattning : Truck transport offers a versatile way to ship goods in regional, long haulage and urban applications. However, the heavy truck sector accounts for 6 % of total greenhouse gas emissions in the European Union. Therefore, there is a need for a substantial reduction of these emissions to secure the sustainability of Earth for future generations. LÄS MER
15. Modeling of intra- and intermolecular potentials
Sammanfattning : Modeling of interactions between molecules is investigated by theoretical means within the NEMO model. The model is based on a partitioning of the interaction energy at the Hartree-Fock level into first- and second-order perturbation theory. The interaction energy is given as a sum of electrostatic, induction, repulsion, and dispersion energies. LÄS MER