利用分子力学分析黄药浮选未活化菱锌矿的浮选行为

对菱锌矿—黄药(乙基黄药、丁基黄药、辛基黄药和十二烷基黄药)体系分别进行了浮选试验、FTIR红外检测、分子力学模拟和计算。对于未活化的菱锌矿,丁基黄药、辛基黄药和十二烷基黄药可以使之浮游。FTIR证实菱锌矿表面存在可以使之浮游的3种高级黄药的特征吸收峰,乙基黄药在矿物表面未被检测到。分子力学在原子尺度上模拟和计算了黄药—菱锌矿表面相互作用及作用能,指出结合药剂酯水分离系数后分子力学模拟和计算结果可以较好地解释捕收剂—矿物体系的浮选试验和红外检测结果。

MOLECULAR MECHANICS ANALYSIS OF THE UNACTIVATED SMITHSONITE FLOTATION BEHAVOR BY XANTHATES

Flotation tests,FTIR and molecular mechanics simulation are studied in xanthate-smithsonite system respectively in this paper.It shows that unactivated smithsonite can be floated with butylxanthate,octylxanthate and dodecylxanthate while characteristic absorption peaks of those three kinds of xanthates are detected by FTIR on its surface,and it can't be floated with ethylxanthate due to ethylxanthate can't be detected by FTIR on its surface.After simulating and calculating the interaction models and interaction energy in smithsonite-xanthates system,it is conluded that the results of simulation and calculation in molecular mechanics with logP of collectors could interpret the mechanism of flotation and FTIR in smthsonite-xanthates system in atom scale.