Structure Properties Relationship of Ionic Liquid

Abstract

The equations for obtaining the viscosity and melting points of ionic liquids were built. These euations could be applied Imidazolium, pyridinium or ammonium cation with some kind of anion. Molecular descriptors for predicting viscosity of these ionic liquids were based on the size and electrostatic properties in the cations. For the melting points, hydrogen bonding force evaluation became important. To determine coefficients in none linear equation, Genetic Algorithm(GA) were adapted. Eight-parameter correlation was obtained for viscosity with R2=0.9464. But melting point correlation was hard to converge especially with BF4 anion salts. So individual equation was built for BF4 anion. Ten-parameter correlation was obtained for melting point with R2=0.837. Experimental melting point itself varied widely, so this squared correlation coefficient is correct enough.