Molecular Dynamics Simulation of the Amino Acid Ionic Liquids with the Alanine and Glycine Anions

Ionic Liquids (ILs) are organic molten salts that have attracted much attention due to their potential for used in green chemistry and various unique characteristics such as low vapor pressure. Simple inorganic salts, such as NaCl, melt at very high temperatures, while ionic liquids are a group of organic salts with melting point below 100 0C.1 Furthermore, these liquids show high thermal stabilities,ionic conductivities and a wide temperature range in the liquids.Since amino acids have both a carboxylic acid residue and an aminogroup in a single molecule, they can be used as either anions or cations. In this study, different natural amino acid were used as anions, to couple with the TBP, ([P(C4)4]+, cation. In particular, we have investigated the structure and properties of [TBP][Gly] and [TBP][Ala] ILs, (see Fig. 1), by molecular dynamics simulations.