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关于用于描述聚合物包容膜系统中传输动力学的数学模型的一些批判性评论。

Some Critical Remarks about Mathematical Model Used for the Description of Transport Kinetics in Polymer Inclusion Membrane Systems.

作者信息

Szczepański Piotr

机构信息

Faculty of Chemistry, Nicolaus Copernicus University in Toruń, 7 Gagarina Street, 87-100 Toruń, Poland.

出版信息

Membranes (Basel). 2020 Dec 10;10(12):411. doi: 10.3390/membranes10120411.

Abstract

Two kinetic models which are applied for the description of metal ion transport in polymer inclusion membrane (PIM) systems are presented and compared. The models were fitted to the real experimental data of Zn(II), Cd(II), Cu(II), and Pb(II) simultaneous transport through PIM with di-(2-ethylhexyl)phosphoric acid (D2EHPA) as a carrier, o-nitrophenyl octyl ether (NPOE) as a plasticizer, and cellulose triacetate (CTA) as a polymer matrix. The selected membrane was composed of 43 wt. % D2EHPA, 19 wt. % NPOE, and 38 wt. % CTA. The results indicated that the calculated initial fluxes (from 2 × 10 up to 9 × 10 mol/cms) are similar to the values observed by other authors in systems operating under similar conditions. It was found that one of the most frequently applied models based on an equation similar to the first-order chemical reaction equation leads to abnormal distribution of residuals. It was also found that application of this model causes some problems with curve fitting and leads to the underestimation of permeability coefficients and initial maximum fluxes. Therefore, a new model has been proposed to describe the transport kinetics in PIM systems. This new model, based on an equation similar to the first-order chemical reaction equation with equilibrium, was successfully applied. The fit of this model to the experimental data is much better and makes it possible to determine more precisely the initial maximum flux as the parameter describing the transport efficiency.

摘要

本文提出并比较了两种用于描述聚合物包容膜(PIM)系统中金属离子传输的动力学模型。这些模型被用于拟合锌(II)、镉(II)、铜(II)和铅(II)通过以二(2-乙基己基)磷酸(D2EHPA)为载体、邻硝基苯基辛基醚(NPOE)为增塑剂、三醋酸纤维素(CTA)为聚合物基质的PIM同时传输的实际实验数据。所选膜由43 wt.%的D2EHPA、19 wt.%的NPOE和38 wt.%的CTA组成。结果表明,计算得到的初始通量(从2×10到9×10 mol/cms)与其他作者在类似条件下操作的系统中观察到的值相似。研究发现,基于一个类似于一级化学反应方程的方程的最常用模型之一会导致残差的异常分布。还发现应用该模型会在曲线拟合方面产生一些问题,并导致渗透系数和初始最大通量的低估。因此,提出了一个新的模型来描述PIM系统中的传输动力学。这个基于一个类似于具有平衡的一级化学反应方程的新模型被成功应用。该模型对实验数据的拟合要好得多,并且使得能够更精确地确定作为描述传输效率的参数的初始最大通量。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcff/7763215/5a8db2b16523/membranes-10-00411-g001.jpg

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