International Journal of Mineral Processing, Vol.72, No.1-4, 95-110, 2003
Molecular modeling and rational design of flotation reagents
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.
Keywords:flotation reagents;atomistic simulation;hydroxamates;phosphonic acids;molecular modeling;force field