摘要
The intricate grinding process exposes various cleavage surfaces of mineral particles.This paper systematically investigates the structural characteristics of exposed malachite crystal surfaces and the adsorption behavior and mechanism of hydroxamic acid and water molecules using first-principle density functional theory.The study reveals anisotropic surface energies among crystal surfaces,ranked as(201)>(100)>(110)>(001)>(010)>(201).The adsorption of hydroxamic acid and water molecules on malachite surfaces also exhibited anisotropy.The difference in adsorption strength between hydroxamic acid and water molecules on the six exposed surfaces followed the order of(110)>(100)>(010)>(001)>(201)>(201),and the resistance of water molecules to the adsorption of hydroxamic acid on the six exposed surfaces was(110)>(201)>(010)>(201)>(001)>(100).It indicates that the reagent exhibits a strong competitive advantage in adsorption on the(100)surface,and the hindrance of water molecules to reagent adsorption is relatively small,which is favorable for flotation.This study provides theoretical references and innovative insights for the precise design of flotation reagents,as well as for the meticulous optimization of mineral surface interfaces,with the objective of enhancing flotation separation.
复杂的磨矿过程会暴露矿物颗粒的多种解理面。本研究基于第一性原理密度泛函理论计算,系统探究了孔雀石暴露晶面的结构特征以及异羟肟酸/水分子吸附的各向异性。研究发现:不同晶面表面能呈现显著各向异性,排序为(201)>(100)>(110)>(001)>(010)>(201);异羟肟酸与水分子在孔雀石表面的吸附同样存在各向异性特征。异羟肟酸与水分子在六种暴露晶面上的吸附强度差异排序为(110)>(100)>(010)>(001)>(201)>(201);水分子对异羟肟酸在六种暴露晶面吸附的阻碍作用排序为(110)>(201)>(010)>(201)>(001)>(100)。研究表明,(100)晶面是药剂吸附的强竞争优势晶面,且水分子对药剂吸附的阻碍作用相对较小,有利于浮选过程。该研究可以为浮选药剂的精准设计、矿物浮选表界面的精细调控提供科学依据,对提升浮选分离效率具有指导意义。
基金
Project(52074356)supported by the National Natural Science Foundation of China
Project(BGRIMM-KJSKL-2023-06)supported by the Open Foundation of State Key Laboratory of Mineral Processing,China
Project(2022RC1183)supported by the Science and Technology Innovation Program of Hunan Province,China
Project(kq2009095)supported by the Changsha Science and Technology Project(Outstanding Innovative Youth Training Program),China
Project(2023CXQD002)supported by the Innovation Driven Program of Central South University,China
Project(B14034)supported by the National“111”Project,China
Project(2024ZZTS0655)supported by the Independent Exploration and Innovation Project for Graduate Students of Central South University,China。
