Experimental and MD simulation of 3-dodecyloxypropanamine and 3-tetradecyloxypropylamine adsorbed onto quartz(101) surface

作     者：Zhouyueyang Cheng Yimin Zhu Yanjun Li Stephen Butt Zhouyueyang Cheng;Yimin Zhu;Yanjun Li;Stephen Butt

作者机构：a College of Resource and Civil EngineeringNortheastern UniversityShenyang 110819China b National-Local Joint Engineering Research Center of Refractory Iron Ore Resources Efficient Utilization TechnologyShenyang 110819China c Faculty of Engineering and Applied ScienceMemorial University of NewfoundlandSt.John’s A1C 5S7Canada 

出 版 物：《International Journal of Mining Science and Technology》 (矿业科学技术学报（英文版）)

年 卷 期：2021年第31卷第6期

页      面：1033-1042页

核心收录：

学科分类：081902[工学-矿物加工工程] 0819[工学-矿业工程] 08[工学] 

基　　金：supported by the National Natural Science Foundation of China (Nos. 51974067 and 51774069) the China Scholarship Council (No. 201906080088) 

主　　题：Quartz(101)surface Flotation Molecular dynamics 3-Dodecyloxypropanamine Adsorption 

摘      要：In this paper,two surfactants,3-dodecyloxypropanamine(DOPA) and 3-tetradecyloxypropylamine(TOPA),were synthesized and used as collectors in the quartz micro-flotation in the *** tests,FT-IR,XPS measurements,and ab initio Molecular Dynamics(MD) simulations were conducted to research DOPA,TOPA,and dodecylamine(DDA) s adsorption mechanisms onto quartz(101)*** results of micro-flotation show that the adsorption of DOPA and TOPA onto quartz surface is more robust than that of *** zeta-potential result shows that the DOPA/TOPA was adsorbed on quartz through electrostatic ***,MD simulation adsorption models were built to compare the computational properties of the three surfactants,such as the radial distribution function,and the interaction energies between the collectors and the quartz cleavage *** interaction energies of surfactants(RNH_(3)^(+) or RNH_(2)) on the quartz surface explained why the pH range of DOPA/TOPA is wider than that of *** analyses and MD simulations confirmed that DOPA bonded with the(101) surface of quartz through three types of hydrogen bonds between the-NH_(2) of DOPA and the O atom of *** hydrogen bonds of type A and type C were the most likely type and more potent than those of type B.