Molecular modeling and rational design of flotation reagents

被引:106
|
作者
Pradip [1 ]
Rai, B [1 ]
机构
[1] Tata Res Dev & Design Ctr, Pune 411013, Maharashtra, India
关键词
flotation reagents; atomistic simulation; hydroxamates; phosphonic acids; molecular modeling; force field;
D O I
10.1016/S0301-7516(03)00090-5
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
A scientific design methodology based on molecular modeling tools available today is presented for arriving at the most suitable reagent combinations for a given flotation separation problem. The power and the utility of this approach are illustrated with examples taken mainly from our work on mineral flotation with alkyl hydroxamates. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码:95 / 110
页数:16
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