Investigating the behavior of the Imidazolium based ionic liquids using the Yukawa potential model

A wide range of applications of ionic liquids, including green solvent for synthesis and separation and electrolyte, are expected due to their low melting point, low-flammability, negligible vapour pressure, high conductivity and electrochemical stability [۱,۲]. Structures and properties of ionic liquids are controlled by interactions between ions. The size, shape, and composition of the ions affect the thermodynamic properties of ionic liquids by influencing the crystal packing ability and lattice energy of the ionic liquid [۳]. In general, the internal interactions of ionic liquids will decrease with an increase in the size and complexity of the anionic and cationic components. This is due to a greater charge delocalization and charge isolation.The properties of polar liquids have been investigated using different theoretical and computing simulation techniques [۴-۶] Recently a procedure has been presented for studying the polar fluid properties using the Yukawa potential for representing the dispersion forces, and the dipolar-dipolar interactions[۷]. In modeling the interaction of the molecules in a polar fluid, it is assumed that the constituent molecules are rigid spheres of equal size with a fix permanent point dipole moment that interacts via the Yukawa pair potential. Consequently, the total pair potential between two polar molecules interprets as follows(...)Where uY(r۱۲) is the Yukawa pair potential interaction and udd(r۱۲) is the dipolar-dipolar interaction between two permanent dipole moments of strength ȝ.

کلیدواژه ها:

Ionic liquids ، Yukawa potential model ، Equation of state