期刊
APPLIED CLAY SCIENCE
卷 180, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.clay.2019.105177
关键词
Humic acid; Montmorillonite; Adsorption; Pellet binder; DFT calculation; Molecular dynamics simulation
资金
- National Natural Science Foundation of China [51574283, 50804059]
- Central South University Innovation Foundation for Postgraduate [2017zzts128]
In this study, a comparative study of adsorption characteristics of humic acid (HA) onto Ca-montmorillonite and Na-montmorillonite were carried out to guide the preparation of a novel composite binder for iron ore pellets, namely humic acid modified bentonite (HAMB). Using Ca-montmorillonite (Ca-Mt) as a representative, the adsorption mechanisms of HA onto montmorillonite were studied by XRD, zeta potential, FTIR and XPS analyses. The results indicated that HA was adsorbed onto Ca-Mt mainly via complexation and H-bonds. The DFT calculation and molecular dynamics simulation were also carried out to further determine the adsorption mechanisms of HA onto Ca-Mt. Molecular dynamics simulation analyses showed that the complexation reaction between carboxyl, hydroxyl groups of HA and Ca ions in Ca-Mt is dominant in HA adsorption. And the pelletizing experiments indicated that the HAMB binder prepared at a pH value of 7 had excellent application effect in iron ore pelletization.
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