单羧基双羟肟酸的设计合成及其对一水硬铝石和铝硅矿物的捕收性能
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摘要
综合使用量子化学计算方法、动电位、吸附量测定和红外光谱表征等手段,结合单矿物、人工混合矿浮选,研究了铝土矿浮选脱硅螯合捕收剂HCDA。
基于捕收剂为异极性分子的结构特征要求,构建含羟肟酸基和羧基的异极性分子结构模型,最后确定HCDA捕收剂,其分子结构为：非极性基为拥有8个碳链长的直链,极性基为两个羟肟基和一个羧酸基。接着进行该结构捕收剂分子的性能预测,并与本课题组之前研发的捕收剂COBA分子做作对比。量子化学计算结果——分析分子前线轨道能量、电荷分布、键合原子距离、分子中的离域状况以及分子的HOMO、LUMO分布图等各项指数都显示HCDA将是一个性能卓越的捕收剂,捕收性能将比COBA强；性能判据结果——比较捕收剂的溶度积、CMC、HLB以及基团电负性等各项捕收剂性能指数,得到的结果显示HCDA在捕收性和选择性上都比COBA优越。
设计了捕收剂HCDA分子的合成路线,以丙二酸二甲酯和氯甲酸甲酯为原料经多步反应最终得到目标产物HCDA。同时考察了反应时间、反应温度、以及反应投料对反应产率的影响。
单矿物浮选实验表明：以HCDA作捕收剂浮选三种矿物时,一水硬铝石得到较好的效果,其回收率在HCDA浓度为2×10-4mol/L, pH7.0时达到96%,而高岭石和伊利石分别只有20%和10%。一水硬铝石的回收率受pH变化和药剂浓度变化的影响很大,而其它两种矿物几乎不受影响。人工混合矿浮选实验结果表明：浮选分离一水硬铝石和铝硅酸盐矿物的最佳pH值7.0,捕收剂HCDA浓度为2×10-4mol/L,可实现其有效分选。
通过吸附量、混矿铝硅比、动电位、红外光谱分析了捕收剂对三种矿物的作用机理,结果表明：吸附量结果与浮选实验结果一致,一水硬铝石的回收率受pH值变化影响明显,且在pH7.0时达到最大值,而其它两种矿物受pH变化影响很小。矿物动电位测试结果显示,pH对一水硬铝石矿物表面电性影响很大。一水硬铝石与HCDA作用后,IEP从pH6.0移到pH4.0, pH5.0～pH9.0表面电位负移明显,pH7.0负移最大,其他两种矿物表面电位无明显变化；红外光谱表明,HCDA对一水硬铝石吸附存在化学吸附,对高岭石和伊利石吸附主要是物理吸附；根据结论建立了一个HCDA与一水硬铝石表面多环螯合模型。
From the viewpoint of molecular design, electronic structure of flotation collector detailly studied by quantum chemistry methods, combining with determination of surface charge, infrared spectrum, adsorption quantity and flotation tests. Screening and designing of collector for bauxite flotation was carried out in order to improve the flotation selectivity and recovery. An efficient and practical chelated collector, HCDA, was developed.
Based on the heteropolarity requirment of the collector structure, the heteropolar molecular structure models containing both hydroxamino group and carboxyl group were designed, finally the collector named HCDA was confirmed. The molecular structure is as below:it owns a nonpolar group of eight carbon lengths and a polar group containing two hydroxamino groups and carboxyl group. Consequently, the performance prediction of this collector molecular was executed with the comparison of the collector named COBA which was explored by our team formerly. The results of the quantum chemistry calculation—the analysis result of every index indicates that HCDA will be a excellent collector (such as the molecular extreme orbits energy, charges distribution, the bonding atom distances, the delocalization state and the molecular LOMO and LUMO location picture), and its collecting ability will be much stronger than that of COBA; the performance criterion results—the collector performance indexes (the solubility product, the CMC, the HLB and group negativity etc.) were compared between the two collectors mentioned above, the results revealed that HCDA will have better collecting ability and selectivity than COBA.
The synthetic routine of collector HCDA molecular is suggested and carried out. The object product HCDA was synthesized by using methyl malonate and methyl chloroformate as raw materials through four steps. Meanwhile, the influence of the reaction time, temperature and the material addition on the yield was observed.
The results of flotation tests with single minerals showed that the diaspore has a striking result when HCDA as a collector was applied in the flotation of these three minerals. At the HCDA concentration of 2×10-4 mol/L and pH7, the recovery of diaspore reached 96%, while the recovery of kaolinite and illite are only 20% and 10%, respectively. The recovery of diaspore can be affected significantly by the change of the pulp pH value and the reagent concentration; however, the influence of the pulp pH value and the reagent concentration on the other two alumiosilicate minerals are very little. The results of flotation tests with artificial mixture of minerals reveal that the ultimate condition for separating diaspore from the aluminosilicate minerals is at pH7 when the concentration of collector HCDA is 2×10-4mol/L. The ratio of aluminum to silicon of artificial mixture of minerals flotation revealed that diaspore can be separated from aluminosilicate minerals.
The interaction mechanism of the collector HCDA with the three mineral was investigated by adsorption amount, FTIR spectra and zeta potential measurements. The results of adsorption amount were in agreement with that of the flotation test. The change of solution pH has an apparent influence on the adsorption amount of the reagent while has a very little one on that of the aluminosilicate minerals, where the adsorption amount came to maximum at pH7.
The results of zeta potential measurements showed that the IEP of diaspore, kaolinite and illite are pH6.0, pH3.6 and pH3.0, respectively. The surface electrical property of diaspore was affected largely by the change of solution pH. After diaspore being conditioned by HCDA, its IEP moved from pH 6 down to pH 4, and its zeta potential value shifted apparently in the range of pH5～pH9. At the pH7, the largest shift can be observed. At the same time, no obvious change of zeta potential can be found on the two aluminoslicate minerals surface; the infrared spectra disclosed that HCDA mainly chemisorbed on the diaspore surface while mainly physically adsorbed on the kaolinite and illite surface. According to the conclusion, a polycyclic chelated model between HCDA and diaspore was suggested.
基于捕收剂为异极性分子的结构特征要求,构建含羟肟酸基和羧基的异极性分子结构模型,最后确定HCDA捕收剂,其分子结构为：非极性基为拥有8个碳链长的直链,极性基为两个羟肟基和一个羧酸基。接着进行该结构捕收剂分子的性能预测,并与本课题组之前研发的捕收剂COBA分子做作对比。量子化学计算结果——分析分子前线轨道能量、电荷分布、键合原子距离、分子中的离域状况以及分子的HOMO、LUMO分布图等各项指数都显示HCDA将是一个性能卓越的捕收剂,捕收性能将比COBA强；性能判据结果——比较捕收剂的溶度积、CMC、HLB以及基团电负性等各项捕收剂性能指数,得到的结果显示HCDA在捕收性和选择性上都比COBA优越。
设计了捕收剂HCDA分子的合成路线,以丙二酸二甲酯和氯甲酸甲酯为原料经多步反应最终得到目标产物HCDA。同时考察了反应时间、反应温度、以及反应投料对反应产率的影响。
单矿物浮选实验表明：以HCDA作捕收剂浮选三种矿物时,一水硬铝石得到较好的效果,其回收率在HCDA浓度为2×10-4mol/L, pH7.0时达到96%,而高岭石和伊利石分别只有20%和10%。一水硬铝石的回收率受pH变化和药剂浓度变化的影响很大,而其它两种矿物几乎不受影响。人工混合矿浮选实验结果表明：浮选分离一水硬铝石和铝硅酸盐矿物的最佳pH值7.0,捕收剂HCDA浓度为2×10-4mol/L,可实现其有效分选。
通过吸附量、混矿铝硅比、动电位、红外光谱分析了捕收剂对三种矿物的作用机理,结果表明：吸附量结果与浮选实验结果一致,一水硬铝石的回收率受pH值变化影响明显,且在pH7.0时达到最大值,而其它两种矿物受pH变化影响很小。矿物动电位测试结果显示,pH对一水硬铝石矿物表面电性影响很大。一水硬铝石与HCDA作用后,IEP从pH6.0移到pH4.0, pH5.0～pH9.0表面电位负移明显,pH7.0负移最大,其他两种矿物表面电位无明显变化；红外光谱表明,HCDA对一水硬铝石吸附存在化学吸附,对高岭石和伊利石吸附主要是物理吸附；根据结论建立了一个HCDA与一水硬铝石表面多环螯合模型。
From the viewpoint of molecular design, electronic structure of flotation collector detailly studied by quantum chemistry methods, combining with determination of surface charge, infrared spectrum, adsorption quantity and flotation tests. Screening and designing of collector for bauxite flotation was carried out in order to improve the flotation selectivity and recovery. An efficient and practical chelated collector, HCDA, was developed.
Based on the heteropolarity requirment of the collector structure, the heteropolar molecular structure models containing both hydroxamino group and carboxyl group were designed, finally the collector named HCDA was confirmed. The molecular structure is as below:it owns a nonpolar group of eight carbon lengths and a polar group containing two hydroxamino groups and carboxyl group. Consequently, the performance prediction of this collector molecular was executed with the comparison of the collector named COBA which was explored by our team formerly. The results of the quantum chemistry calculation—the analysis result of every index indicates that HCDA will be a excellent collector (such as the molecular extreme orbits energy, charges distribution, the bonding atom distances, the delocalization state and the molecular LOMO and LUMO location picture), and its collecting ability will be much stronger than that of COBA; the performance criterion results—the collector performance indexes (the solubility product, the CMC, the HLB and group negativity etc.) were compared between the two collectors mentioned above, the results revealed that HCDA will have better collecting ability and selectivity than COBA.
The synthetic routine of collector HCDA molecular is suggested and carried out. The object product HCDA was synthesized by using methyl malonate and methyl chloroformate as raw materials through four steps. Meanwhile, the influence of the reaction time, temperature and the material addition on the yield was observed.
The results of flotation tests with single minerals showed that the diaspore has a striking result when HCDA as a collector was applied in the flotation of these three minerals. At the HCDA concentration of 2×10-4 mol/L and pH7, the recovery of diaspore reached 96%, while the recovery of kaolinite and illite are only 20% and 10%, respectively. The recovery of diaspore can be affected significantly by the change of the pulp pH value and the reagent concentration; however, the influence of the pulp pH value and the reagent concentration on the other two alumiosilicate minerals are very little. The results of flotation tests with artificial mixture of minerals reveal that the ultimate condition for separating diaspore from the aluminosilicate minerals is at pH7 when the concentration of collector HCDA is 2×10-4mol/L. The ratio of aluminum to silicon of artificial mixture of minerals flotation revealed that diaspore can be separated from aluminosilicate minerals.
The interaction mechanism of the collector HCDA with the three mineral was investigated by adsorption amount, FTIR spectra and zeta potential measurements. The results of adsorption amount were in agreement with that of the flotation test. The change of solution pH has an apparent influence on the adsorption amount of the reagent while has a very little one on that of the aluminosilicate minerals, where the adsorption amount came to maximum at pH7.
The results of zeta potential measurements showed that the IEP of diaspore, kaolinite and illite are pH6.0, pH3.6 and pH3.0, respectively. The surface electrical property of diaspore was affected largely by the change of solution pH. After diaspore being conditioned by HCDA, its IEP moved from pH 6 down to pH 4, and its zeta potential value shifted apparently in the range of pH5～pH9. At the pH7, the largest shift can be observed. At the same time, no obvious change of zeta potential can be found on the two aluminoslicate minerals surface; the infrared spectra disclosed that HCDA mainly chemisorbed on the diaspore surface while mainly physically adsorbed on the kaolinite and illite surface. According to the conclusion, a polycyclic chelated model between HCDA and diaspore was suggested.
引文
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