A new approach to direct chemical leaching of Sungun chalcopyrite concentrate via green deep eutectic solvent choline chloride-ρ-toluenesulfonic acid and MD simulation

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2025-04-06 DOI:10.1016/j.jtice.2025.106118

Bahram Behnajady , Matin Najafi , Saeid Karimi

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Abstract

Background

Sulfide minerals are insoluble in ordinary solvents. In this research, direct chemical leaching of chalcopyrite was conducted in deep eutectic solvent (DES) synthesized by choline chloride and ρ-toluenesulfonic acid (ChCl-PTSA).

Methods

ChCl-PTSA DES was applied to leach the Sungun chalcopyrite concentrate (SCC). Response surface methodology (RSM) was used to investigate the effects of time, temperature, DES to SCC weight ratio (DES/SCC), and stirring speed parameters on Cu and Fe recoveries. Molecular dynamics simulation was used to study the radial distribution function (RDF) through the leaching of SCC.

Significant findings

FTIR analysis proved the synthesis and stability of DES during leaching. SCC characterization via FESEM-EDS before and after leaching via ChCl-PTSA DES proved selective and direct chalcopyrite leaching without oxidant in a non-aqueous medium. Also, silica and sulfide minerals such as pyrite, enargite, and molybdenite remained in the leach residue. Analysis revealed the absence of any passive layer on the particle surface, such as an elemental sulfur or metal-deficient sulfide layer. Molecular dynamics simulations revealed strong attractive interactions between Cu²⁺ and Fe²⁺ cations with chloride (Cl⁻) of ChCl, suggesting the formation of metal-chloride complexes. While oxygen atoms in ChCl play a minor role, oxygen within the PTSA OH group exhibits a higher likelihood of complex formation with Cu²⁺ and Fe²⁺ cations.

Abstract Image

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通过绿色深共晶溶剂氯化胆碱-ρ-甲苯磺酸和 MD 模拟直接化学浸出 Sungun 黄铜矿精矿的新方法

硫化矿物不溶于普通溶剂。在氯化胆碱和ρ-甲苯磺酸（ChCl-PTSA）合成的深共熔溶剂（DES）中，对黄铜矿进行了直接化学浸出。方法采用schcl - ptsa DES浸出Sungun黄铜矿精矿（SCC）。采用响应面法（RSM）考察了时间、温度、DES/SCC质量比（DES/SCC）和搅拌速度等参数对Cu和Fe回收率的影响。采用分子动力学模拟方法研究了SCC浸出过程中的径向分布函数（RDF）。sftir分析证实了DES在浸出过程中的合成和稳定性。通过FESEM-EDS表征ChCl-PTSA DES浸出前后的SCC，证明了在非水介质中无氧化剂的选择性和直接的黄铜矿浸出。此外，二氧化硅和硫化物矿物，如黄铁矿、辉钼矿和辉钼矿仍留在浸出渣中。分析显示，颗粒表面没有任何钝化层，如单质硫或缺金属硫化物层。分子动力学模拟显示Cu2+和Fe2+阳离子与氯化物（Cl -毒枭）之间有很强的相互吸引作用，表明形成了金属-氯化物配合物。虽然ChCl中的氧原子起次要作用，但PTSA OH基团中的氧与Cu2+和Fe2+阳离子形成络合物的可能性更高。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of the Taiwan Institute of Chemical Engineers 工程技术-工程：化工

CiteScore

9.10

自引率

14.00%

发文量

362

审稿时长

35 days

期刊介绍： Journal of the Taiwan Institute of Chemical Engineers (formerly known as Journal of the Chinese Institute of Chemical Engineers) publishes original works, from fundamental principles to practical applications, in the broad field of chemical engineering with special focus on three aspects: Chemical and Biomolecular Science and Technology, Energy and Environmental Science and Technology, and Materials Science and Technology. Authors should choose for their manuscript an appropriate aspect section and a few related classifications when submitting to the journal online.