PREDICTIVE SIMULATION AND OPTIMIZATION ORIENTED MODELING FOR THE EXTRACTION OF METAL IONS FROM SOLUTIONS INTO A NOVEL BIS-SCHIFF BASE

F. Nworie, S. Ngele, J. Onah
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Abstract

Metal ions present in waste samples, industrial effluents, acid mines and other aqueous media constitute a serious challenge in different human activities. Solvent extraction a technique for preconcentration, separation and identification of trace amount of metal ions coupled with multivariate chemometric technique was used for the determination of Fe(II) and Cr(III) from solutions in the presence of bis(salicylidene)ethylenediamine (SALEN). The influence of main extraction variables affecting the extraction efficiency was simultaneously studied and regression model equations illustrating the relationship between variables predicted. The extraction parameters (time of extraction, acid concentration, ligand concentration, temperature and metal concentration) were optimized using experimental designs with the contributions of the various parameters to extraction of the metal ions bound to the complexone evaluated using SPSS19.0 software. The statistically determined simulated models for the parameters were R2 = 0.946, 0.727, 0.793, 0.53, 0.53, 1.000 and F- values of 70.400, 13. 285, 15.348, 4.646 and 2.569×105 respectively for time of extraction, acid concentration, ligand concentration, temperature and metal concentration for Cr (III). For Fe (II), R2 = 0.243, 0.371, 0.519, 0.446, 1.000 and F-values of 0.964, 2.953, 4.310, 3.216 and 2.516×105 for time of extraction, acid concentration, ligand concentration, temperature and metal concentration respectively. The level of significance of the models as predicted was both lower than 5% making it feasible, efficient, reproducible and accurate. This means that metal ions at the conditions stated could be removed from waste samples, industrial effluents, acid mines and other aqueous media with extension in industrial scale application.
从溶液中提取金属离子到新型双希夫碱的预测模拟和面向优化建模
存在于废物样品、工业废水、酸矿和其他水介质中的金属离子对不同的人类活动构成了严重的挑战。采用溶剂萃取预富集分离鉴定微量金属离子技术,结合多元化学计量学技术测定了双水杨基乙二胺(SALEN)溶液中Fe(II)和Cr(III)的含量。同时研究了主要提取变量对提取效率的影响,并建立了回归模型方程,预测了各变量之间的关系。采用实验设计优化提取参数(提取时间、酸浓度、配体浓度、温度和金属浓度),并利用SPSS19.0软件评价各参数对络合物上金属离子的提取贡献。统计确定的参数模拟模型R2 = 0.946、0.727、0.793、0.53、0.53、1.000,F-值分别为70.400、13。Cr (III)的提取时间、酸浓度、配体浓度、温度、金属浓度分别为285、15.348、4.646、2.569×105, Fe (II)的提取时间、酸浓度、配体浓度、温度、金属浓度的f值分别为0.964、2.953、4.310、3.216、2.516×105, R2 = 0.243、0.371、0.519、0.446、1.000。模型预测的显著性水平均低于5%,具有可行性、高效性、可重复性和准确性。这意味着在上述条件下,金属离子可以从废物样品、工业废水、酸矿和其他水介质中去除,并在工业规模应用中得到扩展。
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