Abstract

Chalcopyrite, the main source of copper worldwide, faces challenges in its flotation due to the complexity of its surface interactions and its coexistence with other minerals. Given the need for papers that show the current state of knowledge and new trends, this article reviews the developments of chalcopyrite flotation, with a focus on molecular design. A comprehensive bibliography search was conducted using keywords and specific queries in the Scopus database, applying inclusion and exclusion criteria to select the most relevant articles. The results were structured in three research periods, according to temporal and thematic criteria. The first period approaches the fundamentals of the process, considering variables as reagent dosage, surface chemistry and the influence of metal ions on recovery and selectivity. The second period explores the analysis and measurement techniques for the development of more selective and sustainable reagents. The third period analyzes the integration of advanced tools, such as molecular dynamic simulations and machine learning, into the understanding of adsorption mechanisms and custom reagent design. It is expected that this work will become a theoretical reference in future research and for mining companies that intend to innovate in their copper flotation and recovery processes. © 2025 by the authors.