Quantitative Structure-Activity Relationship of Amine Collector Adsorption on Quartz Surface

被引：0
|
作者：
Wang B.-Y. [1 ]
Xu X.-Y. [1 ]
Duan H. [1 ]
Chen X. [1 ]
机构：
[1] School of Resources & Civil Engineering, Northeastern University, Shenyang
来源：
Dongbei Daxue Xuebao/Journal of Northeastern University | 2020年 / 41卷 / 01期
关键词：
Adsorption energy; Amine collectors; QSAR(quantitative structure-activity relationship); Quartz; Structure parameter;
D O I：
10.12068/j.issn.1005-3026.2020.01.023
中图分类号：
学科分类号：
摘要：
In order to understand the relationship between adsorption energy of amine collectors on quartz surface and their molecular structure parameters, quantitative structure-activity relationship (QSAR) model based on 20 different collectors was constructed using genetic algorithm. This model with correlation coefficient of R2=0.969, adjustment coefficient of Rad 2=0.964, cross validation factor of Rcv 2=0.955, and salience value of F=168.429 was fitted well with the calculated simulation results. External validation was carried out with four chosen amine collectors, and the error was less than 5%. The results indicated that the model has good predictability, which can be used to predict the adsorption energy of amine collectors on quartz surface. © 2020, Editorial Department of Journal of Northeastern University. All right reserved.
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页码：131 / 136
页数：5
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