文献类型：期刊文献

英文题名：New insights into octadecylamine-monoacid selective adsorption on KCl/ NaCl surface: Experimental and molecular dynamic simulation

作者：Wang, Linjian[1];Xu, Yanxia[1,2];Chen, Hang[1,2];Song, Xingfu[1,2]

机构：[1]East China Univ Sci & Technol, Engn Res Ctr Resources Proc Engn, Minist Educ Resource, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Natl Engn Res Ctr Integrated Utilizat Salt Lake R, Shanghai 200237, Peoples R China

年份：2021

卷号：554

外文期刊名：APPLIED SURFACE SCIENCE

收录：;EI(收录号：20255119717808);WOS:【SCI-EXPANDED(收录号:WOS:000647721700006)】；

基金：The research was supported by the National Basic Research Program of China (Grant No. 2018YFC0604800) and the Program of Shanghai Academic/Technology Research Leader (18XD1424600).

语种：英文

外文关键词：Flotation; KCl; NaCl; ODA-monoacid; Molecular dynamics

摘要：The mechanism of the interaction between the octadecylamine (ODA)-monoacid and KCl/NaCl in the flotation separation were investigated by experiment and molecular dynamics (MD) simulation in this work. A novel concept that the ODA-monoacid selectively adsorption on mineral surface has been introduced from the view of molecular insights. The selective adsorption of ODA-monoacid on KCl/NaCl is determined by the difference between adsorption energy and cohesive energy of interfacial water. The simulation results show that monoacid influences the adsorption energy on KCl/NaCl surface by changing the charge of N in ODA. At the same time, acid has effect on the diffusion of interfacial water to brine, resulting in the difference of the cohesive energy. Acetic acid and formic acid exhibit the stronger electron donating ability to enhance the adsorption between ODA and KCl surface. They also decrease cohesive energy on KCl surface, and increase the cohesive energy on NaCl surface. As a result, both of octadecylamine-acetate (ODA-A) and octadecylamine-formate (ODA-F) can realize the efficient selective adsorption on KCl in the process of KCl/NaCl flotation. Therefore, it is implied ODAA or ODA-F could be potential collectors. It also presents that the combination of the flotation experiments and MD simulation provides us a new insight into ODA-monoacid selectively adsorption on KCl/NaCl surface.