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Visar resultat 1 - 5 av 14 avhandlingar som matchar ovanstående sökkriterier.

1. 1. Simulations of water clustering in vapour, hydrocarbons and polymers

   Författare :Erik Johansson; Högskolan i Borås; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; cluster; gibbs ensemble; monte carlo; water; polyethylene; external field; ions; Energi och material;

   Sammanfattning : It is commonly known that water plays a crucial role in many natural and industrial processes. One of these processes is the formation of water trees, and the subsequent breakdown of polyethylene used for high voltage cable insulation purposes. LÄS MER

3. 2. Experimental studies of cluster ions containing water, ammonia, pyridine and bisulphate

   Författare :Mauritz Johan Ryding; Göteborgs universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; clusters; ions; water; ammonia; pyridine; bisulphate; cross sections; collision induced dissociation CID ; kinetic modelling; electrospray ionization ESI ; time-of-flight TOF ; mass spectrometry;

   Sammanfattning : Molecular cluster ions are fascinating subjects of study. Bridging the size gap between molecules and bulk, they often display non-trivial size dependent behaviour and properties. LÄS MER

4. 3. Dissociative recombination of ammonia and water cluster ions with free electrons

   Författare :Jenny Öjekull; Göteborgs universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; dissociative recombination; ion storage ring; water cluster ions; ammonia cluster ions;

   Sammanfattning : .... LÄS MER

5. 4. Theoretical Reflections of Solvation in Polar Media

   Författare :Daniel Hagberg; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; kvantkemi; Teoretisk kemi; quantum chemistry; Theoretical chemistry; Coordination; Water; Uranyl; Intermolecular forces; Simulation; Dielectric; Cluster; Hofmeister series; Ion; Interaction; Dipole;

   Sammanfattning : Using experiments it is rather easy to measure things on the macroscopic length scale, while it is much harder to measure something in the microscopic world like molecular structure. The opposite is true in theoretical chemistry. LÄS MER

7. 5. Classical and Car-Parrinello Molecular Dynamics Simulations of Polyvalent Metal Ions in Water

   Författare :Sami Amira; Kersti Hermansson; Imre Bako; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Inorganic chemistry; Car-Parrinello molecular dynamics simulations; ab initio calculations; ion; copper; aluminium; metal ion; water; aqueous solution; solvation; Oorganisk kemi; Inorganic chemistry; Oorganisk kemi;

   Sammanfattning : The aqueous solvation of metal ions is one of the long-standing and complex problems in chemistry, with implications for and applications in a broad range of biochemical and electrochemical systems, where water is the all-pervasive medium.This thesis describes computer simulations of Al3+(aq), Fe2+(aq), Fe3+(aq) and Cu2+(aq). LÄS MER