Quantum-chemical calculation of the structure of ion exchangers in the form of multi-charged ions and predicting the sequence of their retention time in ion chromatography

Abstract

The structure of ion exchangers and electrostatic interaction energy of the system between counter
and fixed ions were calculated using ab initio quantum-chemical method. The calculated values of
electrostatic energy have been compared with the retention time of the ions in which separation of mixtures
of these ions has been carried out by ion chromatography. The sequences of the retention time of ions
matches with the obtained values of the electrostatic interaction energy.