Density functional theory study of α-Bromolauric acid adsorption on the α-quartz (1 0 1) surface
作者： Yimin Zhu , Binbin Luo , Chuanyao Sun , Jie Liu , Haitao Sun
DOI: 10.1016/J.MINENG.2016.03.007
关键词:
摘要: Adsorption mechanism of collector α-Bromolauric acid (CH 3 (CH 2) 9 CHBrCOOH, α-BLA) on α-quartz (1 0 1) surface has been investigated by first-principles calculations based on density functional theory (DFT). The interaction energies of H 2 O molecule, calcium ions (Ca 2+), hydroxyl ions (OH−), calcium hydroxyl ions (Ca (OH)+), and α-BLA− ions with α-quartz (1 0 1) surface were in the order of Ca (OH)+< Ca 2+< OH−< H 2 O< α-BLA−. The results revealed that the collector α-BLA cannot adsorb on α-quartz (1 0 1) surface due to the …
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