Green Chemistry from Supercomputers: Car-Parrinello Simulations of Emim-Chloroaluminates Ionic Liquids.

Autor: Resch, Michael, Roller, Sabine, Lammers, Peter, Furui, Toshiyuki, Galle, Martin, Wolfgang Bez, Kirchner, Barbara, Seitsonen, Ari P
Zdroj: High Performance Computing on Vector Systems 2007; 2008, p213-227, 15p
Abstrakt: Ionic liquids (IL) or room temperature molten salts are alternatives to "more toxic" liquids. [1] Their solvent properties can be adjusted to the particular problem by combining the right cation with the right anion, which makes them designer liquids. Usually an ionic liquid is formed by an organic cation combined with an inorganic anion. [2, 3] For a more detailed discussion on the definition we refer to the following review articles. [4, 5, 6] [ABSTRACT FROM AUTHOR]
Databáze: Supplemental Index