基于Blends模块计算的脂肪酸类捕收剂与水的混溶性研究

Study on the miscibility of fatty acid collector with water based on calculation with Blends module

脂肪酸类捕收剂与水的混溶性对其浮选性能具有重要影响。采用Blends模块对BZ-2-BZ-14(醇类)与H_(2)O的混溶性(溶解性)进行了研究,结果证实了Blends模块对低分子有机化学物质与水的混溶性定量表征的可行性及Flory-Huggins高分子溶液方程对判断低分子物质与水的混溶性的适用性。在此基础上,对ZF-17(亚麻酸)、ZF-171(油酸)、ZF-172(硬脂肪酸)与水在不同温度下的混溶性进行了Blends模拟研究,分别得出了3种脂肪酸类捕收剂在不同温度下与水的相互作用参数的定量方程;分析方程斜率发现,脂肪酸类捕收剂随分子结构中化学键饱和程度的增大,其分子和水之间的混溶性与温度的相关性逐渐变大。此外,研究还发现溶质与溶剂的混溶性可以通过E_(bs)、E_(bb)、E_(ss)曲线与X轴围成的公共区域面积S进行判定,S越大则溶质与溶剂的混溶性越好。

The miscibility of fatty acid collector with water has critical influence on the flotation performance.The Blends module was utilized to study the miscibility of BZ-2-BZ-14(alcohols)with H_(2)O.It was demonstrated that using Blends module for quantitative characterization of the miscibility of organic chemicals of low molecular weight with water is workable and Flory-Huggins high molecular equation to determine the miscibility of low molecular substances is applicable.Based on the above,the simulation study on the miscibility of the ZF-17(linolenic acid),ZF-171(oleic acid),and ZF-172(hard fatty acid)with water at different temperatures was carried out with the Blends module,resulting in the quantitative equations with interaction factor of respective miscibility of three kinds of fatty acid collectors with water at different temperatures.From the slope of equation,we can find that the miscibility of molecules of the fatty acid collector with water is more dependent on the temperature with the increase of the satu-ration of the chemical bond in its molecular structure.In addition,the miscibility of the substance with water can be determined upon public area contained by the cure E_(bs),E_(bb),E_(ss) and the X axis.The larger the area is,the better the miscibility.