Abstract: The conventional flotation collector of wolframite has poor selectivity，high consumption，high cost，poor index etc.to solve these problem，a new type anion modified collector DHT-4 was developed by Northeastern University.The single mineral flotation tests show that at the condition of room temperature，pH value 5.5，dosage of DHT-4 is 70 mg/L，the recovery rate of wolframite is up to 89.1%.Agents and mineral model are built by application of Material-Studio molecular simulation software，and the mechanism of DHT-4 on wolframite were explored by molecular simulation.Results show that there is no electrostatic adsorption between DHT-4 molecules and wolframite surface active site atoms，but there is a strong chemical bonding and hydrogen bonding interactions，and the results are verified through Zeta potential analysis results.

Key words: Wolframite, Modified anion collector, Adsorption mechanism, MS simulation