The invention discloses a
screening method of an ardealite flotation collecting agent, which comprises the following steps: providing a molecular structure of the collecting agent, and obtaining components of impurities in ardealite; respectively constructing a
molecular model of the collecting agent and a unit
cell model of the impurities, and carrying out geometric optimization to obtain an optimized
molecular model of the collecting agent and an optimized unit
cell model of the impurities; constructing a unit
cell box of the impurities; on the basis of the optimized collecting agent
molecular model and the
impurity unit cell box, an adsorption model between the collecting agent and the impurities is built; performing
molecular dynamics simulation calculation on the adsorption model to obtain
adsorption energy between the collecting agent and the impurities; and sorting is conducted according to the size of the
adsorption energy, and the collecting agent with the good collecting effect is screened out. The adsorption mechanism of the collecting agent and the ardealite impurities is disclosed from the molecular scale and the atomic scale, the optimal collecting agent compounding scheme based on ardealite
impurity phases in different regions can be selected more quickly, and theoretical support is provided for ardealite
impurity removal.