A theoretical study on the interaction of sulfhydryl surfactants with a covellite(001) surface

SURFACE SCIENCE

卷:555

Article

Porento, M ; Hirva, P

关键词: ab initio quantum chemical methods and calculations;    clusters;    copper;    sulphur;   

DOI  :  10.1016/j.susc.2004.02.033

来源: Elsevier

【 摘 要 】

Ab initio calculations were performed to study the interaction of different sulfhydryl surfactants such as 1,1,1-butanetrithiol, diethyl dithiocarbamate and ethyl xanthate with a covellite (001) surface. Calculations showed that 1,1,1-butanetrithiol interacts more strongly than diethyl dithiocarbamate or ethyl xanthate, which makes it a promising collecting candidate for covellite flotation. Different covellite cluster models were tested and a suitable cluster model for the local adsorption studies is proposed. (C) 2004 Elsevier B.V. All rights reserved.

【 授权许可】

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