Sökning: "mechanistic modeling"

Visar resultat 21 - 25 av 83 avhandlingar innehållade orden mechanistic modeling.

1. 21. Modeling Photofunctional Transition Metal Complexes

   Författare :Iria Bolano Losada; NanoLund: Centre for Nanoscience; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; density functional theory; earth-abundant; molecular dynamics; quantum chemistry; photosensitizer; photophysics; photochemistry; solar fuels; solar energy conversion; transition metal complexes;

   Sammanfattning : Transition metal complexes play a crucial role in solar energy conversion. These coordination compounds have promising applications in dye-sensitized solar cells and photocatalysis, with particular interest in solar fuel production. LÄS MER

3. 22. In vitro and in silico Predictions of Hepatic Transporter-Mediated Drug Clearance and Drug-Drug Interactions in vivo

   Författare :Anna Vildhede; Per Artursson; Maria Karlgren; Maria Kjellsson; Ulf Norinder; Kim Brouwer; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; OATP1B1; OATP1B3; OATP2B1; NTCP; drug transporters; human hepatocytes; atorvastatin; pitavastatin; proteomics; sandwich-cultured human hepatocytes; SCHH; mechanistic modeling; in vitro-in vivo extrapolation; transport inhibition; hepatic uptake; hepatocyte isolation; transporter contribution; Biopharmaceutics; Biofarmaci;

   Sammanfattning : The liver is the major detoxifying organ, clearing the blood from drugs and other xenobiotics. The extent of hepatic clearance (CL) determines drug exposure and hence, the efficacy and toxicity associated with exposure. Drug-drug interactions (DDIs) that alter the hepatic CL may cause more or less severe outcomes, such as adverse drug reactions. LÄS MER

4. 23. NOx Adsorption in ZSM-5 Films - Experimental studies and mathematical modeling

   Författare :Indra Perdana; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; ZSM-5 films; NOx adsorption; adsorbed species; mathematical modeling.;

   Sammanfattning : This work dealt with studies of NOx adsorption in films of ZSM-5. The study was interesting due to its significant contribution to develop a detailed understanding of NOx transport and adsorption in ZSM-5 which is of interest for catalyst or membrane applications. LÄS MER

5. 24. Mechanistic Modeling of Wall-Fluid Thermal Interactions for Innovative Nuclear Systems

   Författare :Roman Thiele; Henryk Anglart; Xu Cheng; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; GEN-IV reactors; Wall heat transfer; Computational Fluid Dynamics; Wall functions; Reactor design; Supercritical water; Liquid metal; Energy Technology; Energiteknik; Fysik; Physics;

   Sammanfattning : Next generation nuclear power plants (GEN-IV) will be capable of not only producing energy in a reliable, safe and sustainable way, but they will also be capable of reducing the amount of nuclear waste, which has been accumulated over the lifetime of current-generation nuclear power plants, through transmutation. Due to the use of new and different coolants, existing computational tools need to be tested, further developed and improved in order to thermal-hydraulically design these power plants. LÄS MER

7. 25. Mechanistic Modeling of Water Vapour Condensation in Presence of Noncondensable Gases

   Författare :Krzysztof Karkoszka; Henryk Anglart; Bengt Sundén; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Engineering physics; Teknisk fysik;

   Sammanfattning : This thesis concerns the analytical and numerical analysis of the water vapour condensation from the multicomponent mixture of condensable and noncondensable gases in the area of the nuclear reactor thermal-hydraulic safety.Following an extensive literature review in this field three aspects of the condensation phenomenon have been taken into consideration: a surface condensation, a liquid condensate interaction with gaseous mixtures and a spontaneous condensation in supersaturated mixtures. LÄS MER