Adsorption of gold chloride solution on quartz surface

IF 5.9 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry Pub Date : 2025-03-19 DOI:10.1016/j.jiec.2025.03.022

Xiaoliang Zhang, Haiyang Sun, Yong Sun, Junhao Yin, Pengcheng Li, Shujuan Dai, Zhao Li

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Abstract

The adsorption of gold chloride on the quartz surface is studied by combining experimental study with quantum mechanical calculations. Adsorption experiments, conducted under varying conditions (stirring time, pulp concentration, initial gold concentration, stirring speed, and pH) and infrared spectroscopy analysis confirmed that adsorption occurred between quartz and gold chloride solution. Quantum mechanical simulations using the CASTEP module in Materials Studio calculated adsorption energies of water molecules, hydroxide ions, and gold chloride complexes (AuCl₄^-, AuCl₃(OH)^-, AuCl₂(OH)₂^-, AuCl(OH)₃^-, Au(OH)₄^- ions) on the quartz (101) surface, yielding values of −13.87, −242.48, −70.77, −98.60, −123.93, −71.05, and −126.03 kJ/mol respectively. Mulliken population analysis identified specific adsorption sites, revealing interactions between gold chloride complexes and quartz surface atoms. The simulation calculation results are consistent with the experiments, indicating that some gold chloride is adsorbed together with quartz.

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氯化金溶液在石英表面的吸附

采用实验研究与量子力学计算相结合的方法，研究了氯化金在石英表面的吸附。在不同条件下（搅拌时间、矿浆浓度、初始金浓度、搅拌速度、pH值）的吸附实验和红外光谱分析证实石英与氯化金溶液之间存在吸附。利用Materials Studio中的CASTEP模块进行量子力学模拟，计算了水分子、氢氧化物离子和氯化金配合物(AuCl4-、AuCl3(OH)-、AuCl2(OH)2-、AuCl（OH)3-、Au(OH)4-离子）在石英（101）表面的吸附能，产值分别为−13.87、−242.48、−70.77、−98.60、−123.93、−71.05和−126.03 kJ/mol。Mulliken种群分析确定了特定的吸附位点，揭示了氯化金配合物与石英表面原子之间的相互作用。模拟计算结果与实验结果一致，表明部分氯化金与石英一起被吸附。

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来源期刊

Journal of Industrial and Engineering Chemistry 工程技术-工程：化工

CiteScore

10.40

自引率

6.60%

发文量

639

审稿时长

29 days

期刊介绍： Journal of Industrial and Engineering Chemistry is published monthly in English by the Korean Society of Industrial and Engineering Chemistry. JIEC brings together multidisciplinary interests in one journal and is to disseminate information on all aspects of research and development in industrial and engineering chemistry. Contributions in the form of research articles, short communications, notes and reviews are considered for publication. The editors welcome original contributions that have not been and are not to be published elsewhere. Instruction to authors and a manuscript submissions form are printed at the end of each issue. Bulk reprints of individual articles can be ordered. This publication is partially supported by Korea Research Foundation and the Korean Federation of Science and Technology Societies.