Method for selecting collector for synchronous lead-silver enrichment based on coordination chemistry and electrochemistry

A method for selecting a collector for synchronous lead-silver enrichment based on coordination chemistry and electrochemistry, comprising following steps:

• S1, based on a quantum chemical calculation and a specific flotation environment, establishing a mineral solid-solid interaction model;
• and based on the mineral solid-solid interaction model, conducting density functional theory (DFT) calculations at a level not lower than a generalized gradient approximation-Perdew-Wang 91 (GGA-PW91) functional to acquire electrochemical information on a solid-solid interaction between a silver mineral and galena, wherein the electrochemical information on the solid-solid interaction between the silver mineral and the galena is as follows:
• during an electrochemical process, the galena with a low potential undergoes an anodic reaction to lose an electron and thus is positively charged, while the silver mineral with a high potential undergoes a cathodic reaction to accept an electron and thus is negatively charged;
• S2, while fully considering effects of dispersion and solvation of minerals and mineral-philic groups, conducting first-principles quantum chemical calculations at a level not lower than a Becke, 3-parameter, Lee-Yang-Parr (B3LYP) functional and a DEF2TZVP basis set to acquire the galena, the silver mineral, and potential targeted mineral-philic groups of the galena and the silver mineral, and outputting chk files, wherein the potential targeted mineral-philic groups comprise monothiocarbonate, xanthate, trithiocarbonate, monothiophosphate, dithiophosphate, thiosulfate, thiosulfonate, dithiocarbamate, mercaptan, thionocarbamate, thiourea, or thioamide;
• S3, analyzing the quantum chemical calculation chk files to acquire shape and energy level information of frontier molecular orbitals of related minerals and the mineral-philic groups;
• S4, based on three principles of bonding, screening the mineral-philic groups through coordination chemistry properties of frontier molecular orbitals of the minerals with frontier molecular orbitals of the targeted mineral-philic groups to preliminarily identify a targeted mineral-philic group for the silver mineral;
• S5, thermodynamically determining whether the targeted mineral-philic group preliminarily identified for the silver mineral demonstrates a better adsorption capacity than other mineral-philic groups for the silver mineral;
• and if the targeted mineral-philic group preliminarily identified for the silver mineral demonstrates a better adsorption capacity than other mineral-philic groups for the silver mineral, proceeding to S6;
• and
• S6, calculating solvation free energies of targeted mineral-philic group derivatives with different carbon chain lengths and shapes according to energy information in log files resulting from quantum chemical calculations, and selecting a mineral-philic group derivative with a minimum solvation free energy as a final mineral-philic reagent.