矿产保护与利用Issue(3)：9-16,8.DOI:10.13779/j.cnki.issn1001-0076.2018.03.002
经典分子动力学模拟在矿物浮选研究中的应用
Application of Classic Molecular Dynamics Simulations in Minerals Flotation
摘要
Abstract
With the increasing sophistication in flotation researches and the constant development in computer technology, molecular dynamics simulation has become an important tool for mechanism exploration of flotation.The classical molecular dynamics simulation can be used to reveal the inter-action at mineral interface at molecular and atomic level.The phenomenon at mineral surface and interface could be illustrated thoroughly.As a result, deep studies in mineral flotation could be re-alized.Moreover, classical molecular dynamics simulation can provide theoretical bases for the se-lection and the molecular design of the flotation reagents.The main fields where molecular dynam-ics simulation plays its role include: the simulations in surface structure of the mineral, the interac-tion between mineral and flotation reagent, as well as the screening and the molecular design of the flotation reagents.关键词
经典分子动力学模拟/浮选/矿物/药剂/相互作用Key words
classical molecular dynamic simulation/flotation/minerals/reagents/interaction分类
矿业与冶金引用本文复制引用
郝海青,李丽匣,张晨,袁致涛..经典分子动力学模拟在矿物浮选研究中的应用[J].矿产保护与利用,2018,(3):9-16,8.基金项目
国家自然科学基金项目(51574061) （51574061）
钒钛资源综合利用国家重点实验室开放课题基金 （）
