4.1 Article

Molecular modeling and rational design of flotation reagents

期刊

INTERNATIONAL JOURNAL OF MINERAL PROCESSING
卷 72, 期 1-4, 页码 95-110

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ELSEVIER
DOI: 10.1016/S0301-7516(03)00090-5

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flotation reagents; atomistic simulation; hydroxamates; phosphonic acids; molecular modeling; force field

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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.

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