摘要
本文通过浮选试验、动电位测试、X射线光电子能谱(XPS)分析和密度泛函理论(DFT)计算研究了苯乙烯膦酸(SPA)在金红石表面上的吸附与键合机理.浮选试验结果表明:在pH值=4.1,苯乙烯膦酸用量为240 mg/L条件下,金红石的浮选回收率可以达到82.3%.动电位测试和浮选溶液化学计算结果表明:在浮选过程中,苯乙烯膦酸单阴离子为捕收金红石的有效成分,其在金红石表面吸附的作用力不是静电力而是一种强于静电力的特殊作用力.XPS分析表明:金红石表面的Ti原子与苯乙烯膦酸单阴离子之间发生了化学作用.DFT计算结果直观地表明:苯乙烯膦酸单阴离子在金红石表面的吸附是一个自发的过程,吸附形成了氢键和化学键.Mulliken布居电荷分析显示:吸附过程中有电子从苯乙烯膦酸的O原子(O_(SPA))转移到金红石表面的Ti原子,使得O_(SPA)—Ti键生成.
The details of the adsorption of styrene phosphonic acid(SPA)on rutile surface were investigated by flotation tests,zeta potential measurements,X-ray photoelectron spectroscopy(XPS)analysis and density functional theory(DFT)computations.The flotation results show that with 240 mg/L SPA as the collector,82.3%of the rutile is recovered at pH 4.1.The zeta potential and solution chemistry calculation results imply that the SPA monoanion is the effective species that collected rutile in the flotation process,and the adsorption force on rutile surface is not electrostatic force but a special force stronger than electrostatic force.XPS analysis demonstrates that the Ti atoms on the rutile surface participated in the chemisorption of SPA monoanion.DFT computation results visually indicate that the adsorption of SPA monoanion on rutile(110)surface is a spontaneous reaction and formed a hydrogen bond and a chemical bond.Mulliken population analysis shows that electrons are transferred from the O_(SPA)atom in the SPA monoanion to the Ti atom on the rutile surface during the adsorption,resulting in the formation of O_(SPA)—Ti bond.
作者
宫贵臣
李朝明
刘杰
韩跃新
GONG Guichen;LI Chaoming;LIU Jie;HAN Yuexin(l.State Key Laboratory of Nuclear Resources and Environment,East China University of Technology,Nanchang,Jiangxi 330013,China;College of Resources and Civil Engineering,Northeastern University,Shenyang,Liaoning 110819,China)
出处
《中国矿业大学学报》
EI
CAS
CSCD
北大核心
2023年第4期789-795,共7页
Journal of China University of Mining & Technology
基金
国家自然科学基金项目(51674066)
东华理工大学实验技术研究开发项目(DHSY-202257)。
