Quantitative structure–biodegradability relationship of sulfide mineral flotation collectors

12 physicochemical and quantum chemical parameters of 7 kinds of sulfide mineral flotation collectors are calculated. On the basis of the experimental data, a QSBR model including parameters, such as ELUMO, μ, TE, (ELUMO − EHOMO) and (ELUMO − EHOMO)2 was established for Kb prediction by multiple linear regression. Results showed that the calculated data fitted well with the experimental values, indicating the reliable prediction and good robustness of the developed model, which can be used in Kb prediction of analogs. According to analysis of the model, the electrical parameters were the dominant factors affecting the aerobic biodegradability of sulfide mineral flotation collectors. However, the steric parameters and hydrophobic parameters had a small impact on biodegradability of the collectors.

► The QSBR model of the collectors was established for Kb prediction.
► The electrical parameters were dominant factors affecting the biodegradation.
► The steric and hydrophobic parameters had a little impact on the biodegradability.