Water pollution due to toxic heavy metals discharged by chemical industries and abandoned mines is one of the most serious environmental and public problems. Therefore, the purification of heavy metal-contaminated water has become a major topic in water treatment. Among the metal–organic frameworks used to this aim, zeolitic imidazolate framework 8 (ZIF-8) is particularly promising as a purifying agent for water treatment. Although several reports have dealt with the purification of heavy metal-contaminated water using ZIF-8, the removal mechanism remains controversial. In this study, monodisperse ZIF-8 fine particles were used for the removal of Pb2+ and Cu2+ ions, and the removal mechanisms were investigated. Accordingly, an adsorption mechanism is suggested for the Pb2+ removal, whereas the Cu2+ removal occurs through an ion-exchange phenomenon.