The adsorption action of CaOH + and OH - on ZnS(110) was simulated by molecular force field method. The adsorption energy and quality distribution clouds was analyzed.

• 为了查清高碱电位环境对闪锌矿表面性质抑制作用的根本原因 ,采用C2 Soterware分子力场中的万能力场方法 ,对闪锌矿 (110 )表面CaOH+ 和OH-两种离子的吸附进行了动力学模拟 ,并对吸附能和吸附质量云图进行了分析。