Study on the adsorption mechanism of ricinoleate and oleate on kaolinite and quartz surfaces

IF 4.9 2区工程技术 Q1 ENGINEERING, CHEMICAL

Minerals Engineering Pub Date : 2025-06-19 DOI:10.1016/j.mineng.2025.109544

Chuilei Kong , Lingyun Liu , Xianglin Yang , Fangqin Lu

{"title":"Study on the adsorption mechanism of ricinoleate and oleate on kaolinite and quartz surfaces","authors":"Chuilei Kong , Lingyun Liu , Xianglin Yang , Fangqin Lu","doi":"10.1016/j.mineng.2025.109544","DOIUrl":null,"url":null,"abstract":"<div><div>The introduction of a hydroxyl group in the ricinoleat (ROA−) molecule enhances its adsorption selectivity on kaolinite surfaces compared to conventional oleate (OA−). In this study, a combined approach of density functional theory (DFT) simulations and experimental validation was employed to investigate the adsorption behaviors of ROA− and OA− on kaolinite and quartz surfaces. Mulliken population, Hirshfeld charge transfer, and PDOS analyses revealed that ROA− adsorption on kaolinite is primarily driven by hydrogen bonding and electrostatic interactions, whereas adsorption on quartz is dominated by weaker hydrogen bonding. The adsorption strength follows the order: ROA−/kaolinite > OA−/kaolinite > ROA−/quartz > OA−/quartz. Flotation experiments showed that ROA− achieved a kaolinite recovery of 86.71 % and a separation efficiency of 57.12 % at concentrations below 0.9 mmol/L, outperforming OA−. Zeta potential, FTIR, and XPS results further confirmed that the adsorption mechanisms are highly consistent with DFT predictions, offering theoretical guidance for the design of selective anionic collectors for kaolinite separation.</div></div>","PeriodicalId":18594,"journal":{"name":"Minerals Engineering","volume":"232 ","pages":"Article 109544"},"PeriodicalIF":4.9000,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Minerals Engineering","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0892687525003723","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}

引用次数: 0

Abstract

The introduction of a hydroxyl group in the ricinoleat (ROA⁻) molecule enhances its adsorption selectivity on kaolinite surfaces compared to conventional oleate (OA⁻). In this study, a combined approach of density functional theory (DFT) simulations and experimental validation was employed to investigate the adsorption behaviors of ROA⁻ and OA⁻ on kaolinite and quartz surfaces. Mulliken population, Hirshfeld charge transfer, and PDOS analyses revealed that ROA⁻ adsorption on kaolinite is primarily driven by hydrogen bonding and electrostatic interactions, whereas adsorption on quartz is dominated by weaker hydrogen bonding. The adsorption strength follows the order: ROA⁻/kaolinite > OA⁻/kaolinite > ROA⁻/quartz > OA⁻/quartz. Flotation experiments showed that ROA⁻ achieved a kaolinite recovery of 86.71 % and a separation efficiency of 57.12 % at concentrations below 0.9 mmol/L, outperforming OA⁻. Zeta potential, FTIR, and XPS results further confirmed that the adsorption mechanisms are highly consistent with DFT predictions, offering theoretical guidance for the design of selective anionic collectors for kaolinite separation.

查看原文本刊更多论文

蓖麻油酸和油酸在高岭石和石英表面的吸附机理研究

与传统油酸（OA -）相比，在蓖麻油酸（ROA -）分子中引入羟基增强了其在高岭石表面的吸附选择性。本研究采用密度泛函理论（DFT）模拟和实验验证相结合的方法研究了ROA -和OA -在高岭石和石英表面的吸附行为。Mulliken种群、Hirshfeld电荷转移和PDOS分析表明，高岭石对ROA−的吸附主要由氢键和静电相互作用驱动，而石英对ROA−的吸附主要由较弱的氢键驱动。吸附强度为：ROA−/高岭石>；OA−/高岭石比;ROA−/石英比;OA−/石英。浮选实验表明，在浓度低于0.9 mmol/L时，ROA−的高岭石回收率为86.71%，分离效率为57.12%，优于OA−。Zeta电位、FTIR和XPS结果进一步证实了吸附机理与DFT预测高度一致，为高岭石选择性阴离子捕收剂的设计提供了理论指导。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Minerals Engineering 工程技术-工程：化工

CiteScore

8.70

自引率

18.80%

发文量

519

审稿时长

81 days

期刊介绍： The purpose of the journal is to provide for the rapid publication of topical papers featuring the latest developments in the allied fields of mineral processing and extractive metallurgy. Its wide ranging coverage of research and practical (operating) topics includes physical separation methods, such as comminution, flotation concentration and dewatering, chemical methods such as bio-, hydro-, and electro-metallurgy, analytical techniques, process control, simulation and instrumentation, and mineralogical aspects of processing. Environmental issues, particularly those pertaining to sustainable development, will also be strongly covered.