Sökning: "molekylsimulering"

Hittade 1 avhandling innehållade ordet molekylsimulering.

1. 1. Modeling of inorganic ions in aqueous solution

   Författare :Vidar Aspelin; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; molekylsimulering; statistisk mekanik; termodynamik; oorganiska joner; vattenlösningar; Kirkwood-Buff-teori; beräkningar av fri energi; molecular simulation; statistical mechanics; thermodynamics; inorganic ions; aqueous solutions; Kirkwood-Buff theory; free energy calculations;

   Sammanfattning : Essentially all chemical processes and reactions occurring in the environment take place in the presence of ions. In water, ions set the conditions for how other dissolved particles interact. Ions are also directly involved in chemical reactions affecting the climate such as ozone depletion. LÄS MER