Hydrogen Generation by Methanolysis of NaBH4 via Efficient CuFe2O4 Nanoparticle Catalyst: A Kinetic Study and DNN Model

IF 2.8 3区 化学 Q2 CHEMISTRY, APPLIED
Muhammad Ali Yousif Al Janabi, Rima Nour El Houda Tiri, Ali Cherif, Elif Esra Altuner, Chul-Jin Lee, Fatih Sen, Elena Niculina Dragoi, Fatemeh Karimi, Shankramma Kalikeri
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Abstract

In this work, CuFe2O4 nanoparticles (NPs) were created using a hydrothermal process. The form and size of the obtained CuFe2O4 NPs were characterized using XRD and TEM techniques. The Scherrer equation and XRD measurements revealed that the crystal size of nanoparticles was 10.79 nm. The TEM study of nanoparticles with an average size of 7.673.75 nm revealed a distinctive core–shell structure. The methanolysis on NaBH4 at various parameters was used to assess the catalytic activity of NPs. The results showed that CuFe2O4 NPs are an effective catalyst for the methanolysis of NaBH4 in alkaline solutions, as demonstrated by the activation energy of 33.31 kJ/mol and turnover frequency (TOF), which was estimated as 2774.61 min−1 under ambient circumstances. These obtained NPs also showed an excellent (92%) reusability. A deep neural network architecture was determined using a neuro-evolutive approach based on a genetic algorithm to model the process and predict the catalyst performance in changing operating conditions. The determined models had a correlation > 0.9 and a mean squared error in the testing phase < 7.5%, indicating their capacity to capture the process dynamic effectively.

Abstract Image

通过高效 CuFe2O4 纳米粒子催化剂甲烷分解 NaBH4 产生氢气:动力学研究和 DNN 模型
本研究采用水热法制备了 CuFe2O4 纳米粒子(NPs)。利用 XRD 和 TEM 技术对获得的 CuFe2O4 NPs 的形态和尺寸进行了表征。舍勒方程和 XRD 测量显示,纳米粒子的晶体尺寸为 10.79 nm。对平均尺寸为 7.673.75 nm 的纳米颗粒进行的 TEM 研究表明,它们具有独特的核壳结构。在不同参数下对 NaBH4 进行甲醇分解,以评估纳米粒子的催化活性。结果表明,CuFe2O4 NPs 是碱性溶液中 NaBH4 甲醇分解的有效催化剂,其活化能为 33.31 kJ/mol,周转频率(TOF)为 2774.61 min-1。这些获得的 NPs 还显示出极佳的重复利用率(92%)。利用基于遗传算法的神经进化方法确定了深度神经网络架构,以建立工艺模型并预测催化剂在不断变化的操作条件下的性能。确定的模型在测试阶段的相关性为 0.9,平均平方误差为 7.5%,这表明它们能够有效捕捉工艺动态。
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来源期刊
Topics in Catalysis
Topics in Catalysis 化学-物理化学
CiteScore
5.70
自引率
5.60%
发文量
197
审稿时长
2 months
期刊介绍: Topics in Catalysis publishes topical collections in all fields of catalysis which are composed only of invited articles from leading authors. The journal documents today’s emerging and critical trends in all branches of catalysis. Each themed issue is organized by renowned Guest Editors in collaboration with the Editors-in-Chief. Proposals for new topics are welcome and should be submitted directly to the Editors-in-Chief. The publication of individual uninvited original research articles can be sent to our sister journal Catalysis Letters. This journal aims for rapid publication of high-impact original research articles in all fields of both applied and theoretical catalysis, including heterogeneous, homogeneous and biocatalysis.
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