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Optimization of electrochemically synthesized Cu 3 (BTC) 2 by Taguchi method for CO 2 /N 2 separation and data validation through artificial neural network modeling
Frontiers of Chemical Science and Engineering ( IF 4.5 ) Pub Date : 2020-01-16 , DOI: 10.1007/s11705-019-1893-1
Kasra Pirzadeh , Ali Asghar Ghoreyshi , Mostafa Rahimnejad , Maedeh Mohammadi

Cu3(BTC)2, a common type of metal organic framework (MOF), was synthesized through electrochemical route for CO2 capture and its separation from N2. Taguchi method was employed for optimization of key parameters affecting the synthesis of Cu3(BTC)2. The results indicated that the optimum synthesis conditions with the highest CO2 selectivity can be obtained using 1 g of ligand, applied voltage of 25 V, synthesis time of 2 h, and electrode length of 3 cm. The single gas sorption capacity of the synthetized microstructure Cu3(BTC)2 for CO2 (at 298 K and 1 bar) was a considerable value of 4.40 mmol · g−1. The isosteric heat of adsorption of both gases was calculated by inserting temperature-dependent form of Langmuir isotherm model in the Clausius-Clapeyron equation. The adsorption of CO2/N2 binary mixture with a concentration ratio of 15/85 vol-% was also studied experimentally and the result was in a good agreement with the predicted value of IAST method. Moreover, Cu3(BTC)2 showed no considerable loss in CO2 adsorption after six sequential cycles. In addition, artificial neural networks (ANNs) were also applied to predict the separation behavior of CO2/N2 mixture by MOFs and the results revealed that ANNs could serve as an appropriate tool to predict the adsorptive selectivity of the binary gas mixture in the absence of experimental data.



中文翻译:

Taguchi法优化电化学合成的Cu 3(BTC)2用于CO 2 / N 2分离和通过人工神经网络建模进行数据验证

Cu 3(BTC)2是一种常见的金属有机骨架(MOF),是通过电化学途径合成的,用于CO 2的捕获及其与N 2的分离。Taguchi方法用于优化影响Cu 3(BTC)2合成的关键参数。结果表明,使用1 g的配体,25 V的施加电压,2 h的合成时间和3 cm的电极长度,可以获得具有最高CO 2选择性的最佳合成条件。合成的微结构Cu 3(BTC)2对CO 2的单气体吸附能力(在298K和1bar下)的可观值是4.40mmol·g -1。通过将温度相关形式的Langmuir等温线模型插入Clausius-Clapeyron方程中,可以计算两种气体的等吸收热。还通过实验研究了浓度比为15/85 vol-%的CO 2 / N 2二元混合物的吸附,结果与IAST法的预测值吻合良好。此外,Cu 3(BTC)2在六个连续循环后显示出对CO 2吸附的明显损失。此外,人工神经网络(ANN)也被用于预测CO 2 / N 2的分离行为 结果表明,在没有实验数据的情况下,人工神经网络可以作为预测二元混合气体吸附选择性的合适工具。

更新日期:2020-04-21
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