Journal
JOURNAL OF COLLOID AND INTERFACE SCIENCE
Volume 256, Issue 1, Pages 106-113Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1006/jcis.2001.7994
Keywords
molecular modeling; interaction energy; quantum chemical methods; force field methods; MNDO; UFF; flotation reagents; fluorite; calcite; hydroxamates
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The results of theoretical computations on the molecular modeling of mineral-reagent interactions in a fluorite-calcite-fluorapatite-alkyl hydroxamate separation system were found to correlate remarkably well with the experimental microflotation test results. The utility of molecular modeling tools in the design/screening of surfactant molecules for flotation separations is discussed. (C) 2002 Elsevier Science (USA).
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