Isotopes are utilized in many applications, including physical science analyses, food preservation, archaeology, biology, medicine, pharmaceuticals, national security, and agriculture. The purity is a key requirement for the isotope use. Many different technologies have been used to enrich and separate isotopes. Lithium isotope separation techniques are not very efficient and hence the supply of ⁷Li is limited. Natural lithium contains a mixture of the two isotopes ⁶Li and ⁷Li with abundances of ~ 7.5% and 92.5%, respectively. ⁷LiOH is often utilized for pH control in pressurized water reactors in the nuclear power industry. The effective separation can be improved to produce purified ⁷Li or ⁷Li enriched salt by careful control of diffusion and migration of these isotopes that differ due to their different atomic mass. A systematic study was conducted using computational and experimental techniques for achieving enhanced, environmentally friendly, and reliable ⁷Li production techniques.