화학공학소재연구정보센터
International Journal of Mineral Processing, Vol.101, No.1-4, 112-115, 2011
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 E(LUMO), mu, TE, (E(LUMO) - E(HOMO)) and (E(LUMO) - E(HOMO))(2) was established for K(b) 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 K(b) 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. (C) 2011 Elsevier B.V. All rights reserved.