Liu Weiping, Wang Xuming, Xu Hui, Miller J D
School of Metallurgy and Environment, Central South University, Changsha, Hunan Province 410083, China; Department of Metallurgical Engineering, College of Mines and Earth Sciences, University of Utah, Salt Lake City, UT 84112, USA.
Department of Metallurgical Engineering, College of Mines and Earth Sciences, University of Utah, Salt Lake City, UT 84112, USA.
J Colloid Interface Sci. 2017 Mar 15;490:825-833. doi: 10.1016/j.jcis.2016.11.016. Epub 2016 Nov 8.
Wetting characteristics and micro-flotation responses of bastnaesite were examined as a function of pH and at different levels of lauryl phosphate adsorption. Theoretical computations for the bastnaesite-lauryl phosphate system were calculated using the universal force field (UFF) and semiempirical quantum chemical methods. The interaction energy and frontier orbital results correlate remarkably well with the experimental contact angle and micro-flotation test results. The wetting characteristics of bastnaesite with adsorbed collector were examined using both contact angle measurements and molecular dynamics simulations (MDS). The adsorption isotherm at low levels of lauryl phosphate adsorption was established. Finally, the relationship between hydrophobicity and adsorption density was examined by MDS, and compared to the results with octyl hydroxamate at low collector concentrations.
研究了氟碳铈矿的润湿性特征及微浮选响应与pH值的关系,以及在不同月桂基磷酸盐吸附水平下的情况。使用通用力场(UFF)和半经验量子化学方法对氟碳铈矿-月桂基磷酸盐体系进行了理论计算。相互作用能和前沿轨道结果与实验接触角和微浮选测试结果具有显著的相关性。采用接触角测量和分子动力学模拟(MDS)研究了吸附捕收剂后氟碳铈矿的润湿性特征。建立了低水平月桂基磷酸盐吸附时的吸附等温线。最后,通过分子动力学模拟研究了疏水性与吸附密度之间的关系,并与低捕收剂浓度下异羟肟酸辛酯的结果进行了比较。