Abstract: The mechanism of interaction mechanism of flotation reagent and minerals is very complex，and it clearly provides a theoretical basis for mechanism of flotation reagents and minerals for flotation reagent molecular design.There is a lot of achievements on the research of flotation reagent and mineral surface，through the analysis and experimental test in recent years.The various research methods of flotation reagent and mineral interaction mechanism are summarized，and several main research methods are introduced.Single Mineral Test，Zets Potential，Contact Angle，Adsorption Capacity，etc.can be used to determine the properties，strength and floatability of minerals and minerals;The reaction mode of flotation reagents and minerals can be analyzed by means of IR，UV，XPS，SIMS and AES;The Molecular Simulation Technology can be used to simulate the action process of flotation reagent with mineral from the micro level，and the law of action was obtained.With the help of related research methods，it provides a powerful tool for studying the structure of mineral surface，understanding the interaction process between minerals and flotation reagents，and exploring the mechanism of mineral action.Finally，it is pointed out that molecular simulation technology will be widely applied in the research of flotation reagents mechanism and play an important role in improving the research efficiency and the development of new flotation reagents.

Key words: Flotation reagent, Mineral, Interaction mechanism