Sökning: "interaction free energy"

Visar resultat 26 - 30 av 188 avhandlingar innehållade orden interaction free energy.

1. 26. Optical Diagnostics for Engine Efficiency in Gasoline Compression Ignition

   Författare :Miao Zhang; Förbränningsmotorer; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; PPC; Optical engine; Engine Eciency; Multiple-injection strategies; Thermodynamic analysis;

   Sammanfattning : The internal combustion engine has played a significant role in a vast number of applications from small cars to giant tankers, setting people free from geographical barriers and heavy labor. However, it has also generated many tons of harmful emissions and CO2that damage to humans and the environment. LÄS MER

3. 27. Modeling of Diesel Fuel Spray Formation and Combustion in OpenFOAM

   Författare :Anne Kösters; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Combustion; Break-up; OpenFOAM; PaSR; CFD; Diesel; VRFM; VSB2; Spray;

   Sammanfattning : The formation, ignition, and combustion of fuel sprays are highly complex processes and the available models have various shortcomings. The development and application of multidimensional CFD models, that describe the different phenomena have rapidly increased through the use of commercial and public software (e.g. LÄS MER

4. 28. Study on Metallic Melt Coolant Interactions and Debris Bed Formation in a Water Pool

   Författare :Yan Xiang; Weimin Ma; Sevostian Bechta; Andrei A. Komlev; Michael Buck; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Severe accident; fuel coolant interactions; metallic melt; jet fragmentation; debris bed; CLSVOF.; Svåra haverier; interaktioner mellan bränsle och kylmedel; metallsmälta; jetfragmentering; grusbädd; CLSVOF; Kärnenergiteknik; Nuclear Engineering;

   Sammanfattning : To assess corium coolability during severe accidents of LWR, significant number of studies have been conducted previously to investigate the characteristics of debris beds formed from FCI due to fragmentation of molten corium and settlement of the fragments in a water pool. However, their focus has been placed on the oxidic component (UO2/ZrO2) of corium, while little attention has been paid to the debris bed formation due to FCI of the metallic component (Zr/Fe) of corium. LÄS MER

5. 29. A first-principles approach to protein–ligand interaction

   Författare :Pär Söderhjelm; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; solvation; exchange repulsion; polarizable force fields; polarization; molecular mechanics; quantum chemistry; intermolecular interactions; protein–ligand interaction;

   Sammanfattning : It is still impossible to make an accurate, purely theoretical prediction of the free energy of a ligand binding to a protein in aqueous environment. The two main problems are the immense number of nuclear configurations contributing to the binding free energy and the impossibility to apply accurate quantum-chemical methods to such a large system, even for a single configuration. LÄS MER

7. 30. Hydro-mechanical optimization of a wave energy converter

   Författare :Chisom Miriam Ekweoba; Andrej Savin; Halvar Gravråkmo; Uppsala universitet; []
   Nyckelord :Ballast optimization; analytical model; pitching wave energy converter; power absorption performance; wave energy converter; geometry optimization; genetic algorithm; floating platform; extended degrees of freedom; beam model; Engineering Science with specialization in Science of Electricity; Teknisk fysik med inriktning mot elektricitetslära;

   Sammanfattning : Wave energy conversion technology has gained popularity due to its potential to be-come one of the most preferred energy sources. Its high energy density and low car-bon footprint have inspired the development of many wave energy converter (WEC) technologies, few of which have made their way to commercialisation, and many are progressing. LÄS MER