Chemical Engineering Journal Advances最新文献_第6页

Effects of the functionalization on the performance of graphene oxide-based membranes in the desalination and wastewater treatment: A new classification of functionalizing material 功能化对基于氧化石墨烯的膜在海水淡化和废水处理中的性能的影响：功能化材料的新分类

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-11-15 DOI: 10.1016/j.ceja.2024.100684

Martin Ayala-Claveria , Carlos Carlesi , Julieta Puig , Gianni Olguin

Graphene oxide membranes have emerged as cutting-edge materials in desalination and wastewater treatment technologies due to valuable attributes such as ready accessibility, mechanical strength, chemical affinity, high water permeability, and pollutant selectivity. However, a significant challenge arises from the distortion of the nanochannels responsible for water transport due to the hydration of oxidized groups over the graphene oxide nanoplates. This compromises selectivity and alters water transport dynamics. To surmount this drawback, innovative strategies involve the incorporation of additives, or crosslinkers, into the graphene oxide matrix to stabilize these critical nanochannels. This comprehensive review investigates the performance of graphene oxide membranes for desalination and wastewater treatment, where graphene oxide was functionalized through crosslinker integration. A novel classification based on the connector element is considered for relating the crosslinker nature and performance in water treatment, accompanied by a statistical analysis highlighting key factors influencing the performance. It was found that additives based on metallic connectors offer a high likelihood of obtaining high performance while incorporating oxygen-based additives shows the highest performance. Furthermore, the hydrophobic character of the selective graphene oxide layer arises as the key factor in determining the final performance in water depuration.

氧化石墨烯膜具有易获取性、机械强度、化学亲和性、高透水性和污染物选择性等宝贵特性，已成为海水淡化和废水处理技术领域的尖端材料。然而，由于氧化石墨烯纳米板上的氧化基团发生水合作用，导致负责水传输的纳米通道发生扭曲，从而带来了巨大的挑战。这不仅影响了选择性，还改变了水的传输动力学。为了克服这一缺点，创新策略是在氧化石墨烯基质中加入添加剂或交联剂，以稳定这些关键的纳米通道。本综述研究了用于海水淡化和废水处理的氧化石墨烯膜的性能，其中氧化石墨烯通过加入交联剂实现了功能化。研究考虑了一种基于连接器元素的新型分类方法，以将交联剂的性质与水处理性能联系起来，同时还进行了统计分析，强调了影响性能的关键因素。研究发现，基于金属连接器的添加剂更有可能获得高性能，而基于氧气的添加剂则表现出最高的性能。此外，选择性氧化石墨烯层的疏水性是决定最终去水性能的关键因素。

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引用次数: 0

High-sensitivity detection of copper ions in water via cellulose nanomaterial nano-antennas and DFT studies 通过纤维素纳米材料纳米天线和 DFT 研究高灵敏度检测水中的铜离子

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-11-15 DOI: 10.1016/j.ceja.2024.100675

Arwa Alharbi , Abdullah A.A. Sari , Ali H. Alessa , Razan M. Snari , Hatun H. Alsharief , Ibrahim S.S. Alatawi , E.F.M. El-Zaidia , Nashwa M. El-Metwaly

The widespread occurrence of copper in water presents serious health hazards, requiring improvement of a method to monitor and remove copper ions in the field. In this study, a fresh approach is introduced that incorporates Cellulose Nanomaterials (CNMs) with a unique rod-like structure, offering a large surface area that is perfect for adsorbing cupral, a Cu(II) ion probe. By using this arrangement, toxic copper can be rapidly and visibly detected. Without any special tools, it's easy to see the color change from off-white to brown. The copper nano-antenna (CNA) has an impressively high sensitivity, detecting as low as 2.5 × 10–7 M through image analysis and 4.3 × 10–8 M with spectrophotometric methods. The values fall significantly below the WHO drinking water guidelines of 2 ppm. The CNA's ability to detect at low thresholds and be easily regenerated makes it an effective tool for initial water testing. According to the findings, the CNA could be a promising solution for enhancing safety in drinking water by allowing real-time visualization of copper ions, with only 5 mg required for measurements. Computational analysis has been conducted to study the structural properties of copper and its copper complex (Cu(CNA)₂). There is a significant-close agreement between the theoretical and experimental results. The developed CNA material was tested in various environmental and real samples for detecting Cu²⁺ ions, especially in water and whitening cream samples showing the material application for real-world applications.

铜在水中的广泛存在严重危害人们的健康，因此需要改进现场监测和去除铜离子的方法。本研究采用了一种全新的方法，将具有独特杆状结构的纤维素纳米材料（CNMs）结合在一起，这种材料具有较大的表面积，非常适合吸附铜（II）离子探针 cupral。利用这种排列方式，可以快速、明显地检测出有毒的铜。无需任何特殊工具，很容易就能看到颜色从类白色变为棕色。纳米铜天线 (CNA) 的灵敏度极高，通过图像分析可检测到低至 2.5 × 10-7 M 的铜，而通过分光光度法则可检测到 4.3 × 10-8 M 的铜。这些数值大大低于世界卫生组织饮用水标准 2 ppm。CNA 的检测阈值低且易于再生，使其成为初步水质检测的有效工具。研究结果表明，CNA 可以实时显示铜离子的含量，测量时只需 5 毫克，是提高饮用水安全性的一个很有前途的解决方案。计算分析研究了铜及其铜络合物（Cu(CNA)2）的结构特性。理论和实验结果非常接近。所开发的 CNA 材料在各种环境和实际样品中进行了检测 Cu2+ 离子的测试，特别是在水和美白霜样品中，显示了该材料在实际应用中的适用性。

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引用次数: 0

Fine-tuning CO2 separation of mixed matrix membranes by constructing efficient transport pathways through the addition of hybrid porous 2D nanosheets 通过添加混合多孔二维纳米片构建高效传输途径，微调混合基质膜的二氧化碳分离性能

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-11-15 DOI: 10.1016/j.ceja.2024.100685

Adel Hosseinkhani , Mohammadreza Omidkhah , Abtin Ebadi Amooghin

In this research, the effect of adding PEG 400 and synthesized rGONiO hybrid nanocomposite to Pebax® to design the Pebax® 1657/PEG 400/rGONiO ternary mixed matrix membrane (MMM) for CO₂/CH₄ and CO₂/N₂ separation, has been evaluated. For this purpose, neat membrane, Pebax® 1657/PEG 400 blend membranes and Pebax® 1657/PEG400/rGONiO based MMMs were fabricated. In the next step, gas separation performance tests were performed on the membranes at 35 °C and operating pressure of 2 to 10 bar, and gas separation properties were evaluated. Also, FTIR-ATR, XRD, FESEM, DSC, TGA, TEM, and tensile analyses were employed. The obtained results indicate the uniform dispersion of rGONiO nanocomposite in the polymer matrix and the proper adhesion between rGONiO nanocomposite and polymer chains due to the modification of the hydrophilicity by polyethylene glycol (PEG), which led to the preparation of a ternary MMM without defects. It significantly improved the separation performance of the membranes compared to the neat membrane. Gas permeability results demonstrated that the optimized blend membrane was obtained at 30 wt.% of PEG 400, and the optimized ternary MMM was obtained at 30 wt.% of PEG 400 and 0.75 wt.% of rGONiO. Pebax® 1657/PEG (30 wt.%)/rGONiO (0.75 wt.%) with CO₂ permeability of 442.37 barrer showed 258 % improvement compared to the neat membrane at 10 bar Moreover, the excellent CO₂/CH₄ and CO₂/N₂ selectivity of 121.32 (495.29 % improvement) and 510.45 (713.59 % improvement) were reported for the optimized ternary MMM, respectively. Finally, the fabricated membranes surpassed Robeson's upper bound limit, indicating their potential for real gas separation situations.

本研究评估了在 Pebax® 中添加 PEG 400 和合成的 rGONiO 混合纳米复合材料对设计用于 CO2/CH4 和 CO2/N2 分离的 Pebax® 1657/PEG 400/rGONiO 三元混合基质膜（MMM）的影响。为此，制作了纯膜、Pebax® 1657/PEG 400 混合膜和基于 Pebax® 1657/PEG400/rGONiO 的 MMM。下一步，在 35 °C 和 2 至 10 bar 的工作压力下对膜进行了气体分离性能测试，并对气体分离性能进行了评估。此外，还采用了傅立叶变换红外-ATR、XRD、FESEM、DSC、TGA、TEM 和拉伸分析。结果表明，由于聚乙二醇（PEG）对纳米 rGONiO 的亲水性进行了修饰，rGONiO 纳米复合材料在聚合物基体中分散均匀，rGONiO 纳米复合材料与聚合物链之间的粘附性良好，从而制备出了无缺陷的三元 MMM。与纯膜相比，它大大提高了膜的分离性能。气体渗透性结果表明，在 PEG 400 含量为 30 wt.% 时得到了优化的混合膜，而在 PEG 400 含量为 30 wt.% 和 rGONiO 含量为 0.75 wt.% 时得到了优化的三元 MMM。Pebax® 1657/PEG（30 wt.%）/rGONiO（0.75 wt.%）的二氧化碳渗透率为 442.37 barrer，在 10 bar 条件下与纯膜相比提高了 258%；此外，优化的三元 MMM 还具有优异的 CO2/CH4 和 CO2/N2 选择性，分别为 121.32（提高 495.29%）和 510.45（提高 713.59%）。最后，制造出的膜超过了罗伯逊的上限，表明它们在实际气体分离情况下的潜力。

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引用次数: 0

Numerical simulation of magnetically driven nanomaterial rotating flow configured by convective-radiative cone with chemical reaction 具有化学反应的对流辐射锥型磁驱动纳米材料旋转流的数值模拟

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-11-12 DOI: 10.1016/j.ceja.2024.100682

Cyrus Raza Mirza , Muhammad Salman Kausar , Muhammad Nasir , M. Waqas , Nurnadiah Zamri , Iskandar Shernazarov , S.U. Khan , Nidhal Ben Khedher

Indeed, nanoliquids have acquired substantial consideration in heat transference field because of their inimitable thermal attributes and favorable application likelihoods. In contrast to orthodox liquids, the haphazard movement of nanoparticles within nanoliquid strengthens fluid turbulence, accomplishes superior thermal effectiveness and declines thermal resistance. Nanoliquids have ample utilization, for illustration, solar energy, electronic chips, automotive radiators and heat exchangers etc. This communication reports chemically reactive electro-magnetized nanomaterial dissipative flow confined by rotating cone. Flow expressions include thermo-solutal buoyancy, varying viscosity and magneto-hydrodynamics. Radiative heat, thermophoresis, viscous dissipation, Brownian diffusion, thermal source and first order chemical reaction are pondered to model transport expressions. Relevant variables are introduced to transfigure partial differential mathematical expressions to mathematical ordinary ones. Numerical outcomes for non-dimensional mathematical expressions are reported via bvp4c algorithm in MATLAB. The comprehensive results featuring dimensionless quantities are explored through graphs and arithmetic representations. It is evaluated that escalating values of variable viscosity, Prandtl number and unsteady parameter decline temperature but temperature is improved as a consequence of progressive variation in radiation parameter, Eckert number, thermophoresis parameter, heat generating and Brownian diffusive variables. The study is relevant to cooling industry, electroconductive, thermal collector and nano-materials processing.

纳米液体由于其独特的热属性和良好的应用前景，在传热领域得到了广泛的关注。与传统液体相比，纳米颗粒在纳米液体中的随意运动增强了流体的湍流性，实现了优越的热效率，降低了热阻。纳米液体在插图、太阳能、电子芯片、汽车散热器和热交换器等方面有着广泛的应用。本文报道了受旋转锥约束的化学反应性电磁纳米材料耗散流。流动表达式包括热溶质浮力、变粘度和磁流体力学。考虑了辐射热、热泳、粘性耗散、布朗扩散、热源和一级化学反应来模拟输运表达式。引入相关变量，将偏微分数学表达式转化为数学普通表达式。在MATLAB中利用bvp4c算法对无量纲数学表达式进行了数值求解。通过图形和算术表示探讨了无量纲量的综合结果。结果表明，变粘度、普朗特数和非定常参数的增大使温度下降，而辐射参数、Eckert数、热透参数、产热和布朗扩散变量的增大使温度升高。研究方向涉及制冷、导电、集热、纳米材料加工等领域。

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引用次数: 0

Enhanced cycling stability of silicon electrode for lithium-ion batteries by dual hydrogen bonding mediated by carboxylated carbon nanotube 通过羧化碳纳米管介导的双氢键增强锂离子电池硅电极的循环稳定性

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-11-02 DOI: 10.1016/j.ceja.2024.100673

Ju Eun Son , Sung Gyu Im , Joon-Hyuk Yim , Mino Yang , Jae-won Lee

Carbon nanotubes (CNTs) are being used as high-performance conductive agents for fast electron transport and effective suppression of volume change in silicon (Si) electrode. However, utilization of CNTs has significant challenges, including poor dispersibility and weak interaction with Si particles. Herein, carboxylated CNTs (CNT-COOH) are employed as a mediator to form dual hydrogen bonds with the tannic acid-coated Si particles (Si@TA) and carboxymethyl cellulose (CMC) binder, through which all the constituents (active material, conductive agent, and binder) comprising the electrode are strongly connected. Also, CNT-COOH strongly attaches to Si@TA via π-π conjugation. Furthermore, the TA-coating layer serves as a protective layer from the electrolyte. As a result, the Si@TA/CNT-COOH composite electrode shows excellent cycling stability delivering a discharge-specific capacity of 1287 mAh g^-1 after 200 cycles at 2 A g^-1 and retains 1916 mAh g^-1 even at high current density of 10 A g^-1. The structural integrity of the Si@TA/CNT-COOH electrode is also confirmed by less deformation and thickness change after cycling.

碳纳米管（CNT）被用作高性能导电剂，可实现快速电子传输并有效抑制硅（Si）电极的体积变化。然而，利用碳纳米管面临着巨大挑战，包括分散性差以及与硅颗粒的相互作用弱。本文采用羧基碳纳米管（CNT-COOH）作为介质，与单宁酸包覆的硅颗粒（Si@TA）和羧甲基纤维素（CMC）粘合剂形成双重氢键，从而使电极的所有成分（活性材料、导电剂和粘合剂）紧密连接在一起。此外，CNT-COOH 通过 π-π 共轭作用与 Si@TA 紧密相连。此外，TA 涂层还是电解液的保护层。因此，Si@TA/CNT-COOH 复合电极显示出卓越的循环稳定性，在 2 A g-1 的条件下循环 200 次后，放电特定容量为 1287 mAh g-1，即使在 10 A g-1 的高电流密度条件下也能保持 1916 mAh g-1。Si@TA/CNT-COOH 电极在循环后的变形和厚度变化较小，这也证实了其结构的完整性。

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引用次数: 0

Microwave-assisted acid and alkali pretreatment of Napier grass for enhanced biohydrogen production and integrated biorefinery potential 微波辅助酸碱预处理纳皮尔草，提高生物制氢能力和综合生物炼制潜力

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-11-01 DOI: 10.1016/j.ceja.2024.100672

Umarin Jomnonkhaow , Tsuyoshi Imai , Alissara Reungsang

Napier grass, a promising lignocellulosic energy crop, presents a complex composition that limits its bioconversion into fermentable products. To address this challenge, we applied microwave (MW) pretreatment assisted by acid and alkali, using varying chemical concentrations (0.5–1 % w/v) and pretreatment times (3–10 min). Acid-catalyzed MW pretreatment achieved a maximal hemicellulose removal of 69.8 %, while alkali-catalyzed MW pretreatment resulted in significant lignin removal of 65.5 %. Without chemical catalysis, the pretreated hydrolysate significantly increased hydrogen yield to 38.0 ± 2.9 mL H₂/g volatile solid (VS), five times greater than that obtained from untreated biomass. Hydrogen yield was further enhanced when the MW-pretreated solid underwent simultaneous saccharification and fermentation. The highest hydrogen yield of 89.2 ± 7.2 mL H₂/g VS was achieved from alkali-catalyzed MW pretreated solid (0.5 % w/v NaOH, 5 min), with a chemical oxygen demand (COD) solubilization of 62.6 %. Increasing the NaOH concentration to 1 % (w/v) slightly decreased hydrogen yield but significantly increased COD solubilization to 85.8 %. The high carbohydrate content facilitated rapid cellulase hydrolysis, producing and accumulating a high concentration of fermentable sugars. However, this accumulation subsequently led to a shift towards lactic acid formation. The improved hydrogen yield and increased COD solubilization, along with the shift towards lactic acid production, suggest the possibility of optimizing this process for simultaneous production of multiple valuable products in an integrated biorefinery approach, potentially enhancing the economic viability of biomass conversion.

纳皮尔草是一种前景广阔的木质纤维素能源作物，其复杂的成分限制了其生物转化为可发酵产品。为了应对这一挑战，我们在不同的化学浓度（0.5-1 % w/v）和预处理时间（3-10 分钟）下，使用酸和碱辅助微波（MW）预处理。酸催化的微波预处理对半纤维素的最大去除率为 69.8%，而碱催化的微波预处理对木质素的去除率为 65.5%。在不使用化学催化的情况下，预处理后的水解物显著提高了产氢量，达到 38.0 ± 2.9 mL H2/g 挥发性固体 (VS)，是未经处理的生物质产氢量的五倍。当 MW 预处理固体同时进行糖化和发酵时，产氢量进一步提高。碱催化 MW 预处理固体（0.5 % w/v NaOH，5 分钟）的产氢量最高，为 89.2 ± 7.2 mL H2/g VS，化学需氧量（COD）溶解度为 62.6%。将 NaOH 浓度提高到 1%（w/v）后，氢气产量略有下降，但 COD 溶解度显著提高到 85.8%。高碳水化合物含量促进了纤维素酶的快速水解，产生并积累了高浓度的可发酵糖。然而，这种积累随后导致了乳酸的形成。氢气产量的提高、化学需氧量溶解度的增加以及转向乳酸生产，都表明有可能优化该工艺，以便在综合生物炼制方法中同时生产多种有价值的产品，从而提高生物质转化的经济可行性。

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引用次数: 0

Innovative solar-assisted direct contact membrane distillation system: Dynamic modeling and performance analysis 创新型太阳能辅助直接接触膜蒸馏系统：动态建模和性能分析

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-10-30 DOI: 10.1016/j.ceja.2024.100671

Mishal Alsehli

The study presents an innovative solar-assisted dual-tank direct contact membrane distillation (DCMD) system designed to enhance the operational stability and efficiency of solar-powered desalination. The proposed system integrates a dual thermal storage tank configuration, allowing for continuous operation by alternating between two tanks that store pre-heated water, thereby mitigating the impact of solar energy fluctuations. The dynamic modeling approach used in this study predicts the system's performance under varying solar conditions, focusing on key parameters such as permeate flux, evaporation efficiency, and specific thermal energy consumption. The simulation results show that the system achieves an average permeate flux of 14.4 L/h m² and a thermal efficiency of 53.3 % at a hot water temperature of 60 °C, with a corresponding average specific thermal energy consumption of 1567 kWh/m³. These findings highlight a substantial improvement in both thermal efficiency and water production compared to conventional single-tank systems.

The dual-tank DCMD system is particularly suited for deployment in remote or arid regions where stable and efficient freshwater production is critical. This research provides a comprehensive analysis of a novel solar-assisted desalination technology, contributing to the advancement of sustainable water resources management by providing a reliable and scalable solution that can maintain high operational efficiency even in remote areas with variable solar conditions.

该研究提出了一种创新的太阳能辅助双罐直接接触膜蒸馏（DCMD）系统，旨在提高太阳能海水淡化的运行稳定性和效率。拟议的系统集成了双储热罐配置，通过在两个储热罐之间交替储存预热水，实现连续运行，从而减轻太阳能波动的影响。本研究采用的动态建模方法可预测系统在不同太阳能条件下的性能，重点关注渗透通量、蒸发效率和特定热能消耗等关键参数。模拟结果表明，在热水温度为 60 °C 时，该系统的平均渗透通量为 14.4 L/h m²，热效率为 53.3 %，相应的平均比热能耗为 1567 kWh/m³。这些研究结果表明，与传统的单水箱系统相比，双水箱 DCMD 系统在热效率和产水量方面都有大幅提高。双水箱 DCMD 系统尤其适合部署在偏远或干旱地区，因为在这些地区，稳定高效的淡水生产至关重要。这项研究对新型太阳能辅助海水淡化技术进行了全面分析，提供了一种可靠、可扩展的解决方案，即使在太阳能条件多变的偏远地区也能保持较高的运行效率，从而为推进可持续水资源管理做出了贡献。

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引用次数: 0

A critical assessment of ionic liquid-based aqueous biphasic systems for biomolecules extraction and CO2 absorption 离子液体为基础的水双相系统的生物分子提取和二氧化碳吸收的关键评估

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-10-28 DOI: 10.1016/j.ceja.2024.100670

Viggy Wee Gee Tan , Yazan Abuhasheesh , Doris Ying Ying Tang , Yongyu Zhang , Zengling Ma , Lin Chen , Rambabu Krishnamoorthy , Pau Loke Show

Ionic liquids (ILs) are green designer solvents that have gained research interest in industrial applications, including solvent chemistry, catalysis, and electrochemistry. Recent advances in ionic liquid-based aqueous biphasic systems (IL-ABSs) have broadened their biological applications. This review discusses the state-of-the-art of its biotechnological application in biomolecules recovery and phase separation mechanism. The prospects of ILs as green solvents and their toxicity and applicability in carbon dioxide (CO₂) capture are discussed. The correlation between the structures and toxicity of ILs is also provided, with a special emphasis on the synthesis of safer ILs. This review examines the significance and techniques in recovering and reusing phase-forming agents such as ILs. The incorporation of machine learning (ML) algorithms to predict the toxicity and CO₂ capture properties, as well as the scaling up of IL-ABSs, is also explored.

离子液体是一种绿色设计溶剂，在溶剂化学、催化和电化学等工业领域得到了广泛的应用。近年来离子液体基双水相体系（IL-ABSs）的研究进展拓宽了其生物应用领域。本文综述了其在生物分子回收和相分离机理方面的生物技术应用进展。讨论了有机溶剂作为绿色溶剂的前景及其在二氧化碳捕集中的毒性和适用性。本文还介绍了化合物的结构与毒性之间的关系，并着重介绍了更安全的化合物的合成方法。本文综述了合成相剂（il）回收和再利用的意义和技术。还探讨了结合机器学习（ML）算法来预测毒性和二氧化碳捕获特性，以及il - abs的放大。

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引用次数: 0

Enhancing photovoltaic cell design with multilayer sequential neural networks: A study on neodymium-doped ZnO nanoparticles 利用多层顺序神经网络改进光伏电池设计：掺钕氧化锌纳米粒子研究

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-10-26 DOI: 10.1016/j.ceja.2024.100669

Rogelio A. Léon-García , Ernesto Rojas-Pablos , Jorge L. Mejía-Méndez , Araceli. Sanchez-Martinez , Diego E. Navarro-López , Angélica Lizeth Sánchez-López , Luis Marcelo Lozano , Oscar Ceballos-Sanchez , Edgar R. López-Mena , Gildardo Sanchez-Ante

Multilayer sequential neural networks, a powerful machine learning model, demonstrate the ability to learn intricate relationships between input features and desired outputs. This study focuses on employing such models to design photovoltaic cells. Specifically, neodymium (Nd)-doped ZnO nanoparticles (NPs) were utilized as a photoanode for fabricating dye-sensitized solar cells (DSSCs). A natural dye extracted from Spinacia oleracea was employed, while two types of electrolytes, liquid and gel (polyethylene glycol-based), were used for comparative analysis. Extensive material characterization of the photoanode highlights the impact of Nd content on the physicochemical properties of ZnO. Notably, when the doped photoanode and gel electrolyte were combined, a substantial 110% improvement in power conversion efficiency (PCE) was achieved. Building on these findings, the machine learning model in this research accurately predicts the current-voltage (I-V) curve values for such photoanodes, with an impressive accuracy of 98%. Additionally, the model illuminates the significance of variables like crystal distortion, texture coefficient, and doping concentration, underscoring their importance in the context of photovoltaic cell design.

多层序列神经网络是一种功能强大的机器学习模型，能够学习输入特征与所需输出之间的复杂关系。本研究的重点是利用这种模型来设计光伏电池。具体来说，掺杂钕（Nd）的氧化锌纳米粒子（NPs）被用作制造染料敏化太阳能电池（DSSCs）的光阳极。该研究采用了一种从菠菜中提取的天然染料，并使用了两种电解质（液体和凝胶（聚乙二醇基））进行比较分析。光阳极的广泛材料表征凸显了钕含量对氧化锌理化性质的影响。值得注意的是，当掺杂光阳极和凝胶电解质结合使用时，功率转换效率（PCE）大幅提高了 110%。在这些发现的基础上，本研究中的机器学习模型准确预测了此类光阳极的电流-电压（I-V）曲线值，准确率高达 98%，令人印象深刻。此外，该模型还阐明了晶体畸变、纹理系数和掺杂浓度等变量的重要性，强调了它们在光伏电池设计中的重要性。

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引用次数: 0

Enhancement of H2-water mass transfer using methyl-modified hollow mesoporous silica nanoparticles for efficient microbial CO2 reduction 利用甲基改性中空介孔二氧化硅纳米颗粒增强 H2-水的传质，实现高效的微生物 CO2 还原

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-10-26 DOI: 10.1016/j.ceja.2024.100666

Xianghai Bian , Qiangqiang Wang , Runjia Zhou , Yang Ye , Zhongjian Li

Inorganic-microbial hybrid catalysis is an emerging technology that uses electrical energy to drive microorganisms to reduce CO₂ into high value-added compounds, and it has broad application prospects in CO₂ reduction. However, the low current density (production yield) limits its practical application. Hydrogen-mediated inorganic-microbial hybrid catalysis system can achieve higher current density, but it is limited by low H₂ mass transfer. Here, silica nanoparticles were used to enhance the hydrogen mass transfer for highly efficient CO₂ reduction. Solid silica (SN), mesoporous silica (MSN), hollow mesoporous silica (HMSN), and methyl-modified hollow mesoporous silica (MHMSN) were firstly prepared and tested for the enhancement of hydrogen mass transfer. Of these, MHMSN nanoparticles at a concentration of 0.3 wt% were the best at enhancing gas-liquid mass transfer, the volumetric mass transfer coefficient (K_La) and saturated dissolved hydrogen concentration of H₂ are 0.53 min^-1 and 1.81 mg l^-1, respectively. Compared with the control group without added nanoparticles, MHMSN significantly increased the solubility and K_La of H₂. This can be attributed that the addition of MHMSN promoted the detached process of hydrogen bubbles from the electrode surface, which made the diameter of hydrogen bubbles smaller, increased the gas-liquid mass transfer area, and strengthened the mass transfer process of H₂. Furthermore, it was added to the inorganic-microbial hybrid catalysis system to effectively promote the microbial carbon reduction process, achieving a polyhydroxybutyrate (PHB) yield of up to 700 mg l^-1, and the electron utilization rate and CO₂ conversion rate were 51 % and 58 % higher than the control group, respectively. These results demonstrated that the addition of MHMSN is an effective approach to enhancing the performance of H₂-mediated inorganic-microbial hybrid catalysis system.

无机-微生物混合催化技术是一项新兴技术，它利用电能驱动微生物将二氧化碳还原成高附加值化合物，在二氧化碳还原领域具有广阔的应用前景。然而，低电流密度（产量）限制了其实际应用。氢气介导的无机-微生物混合催化系统可以实现更高的电流密度，但受限于较低的 H2 传质能力。在这里，二氧化硅纳米颗粒被用来增强氢气的传质，以实现高效的二氧化碳还原。首先制备了固体二氧化硅（SN）、介孔二氧化硅（MSN）、中空介孔二氧化硅（HMSN）和甲基改性中空介孔二氧化硅（MHMSN），并对其进行了增强氢气传质的测试。其中，浓度为 0.3 wt% 的 MHMSN 纳米粒子对气液传质的增强效果最好，其体积传质系数（KLa）和 H2 饱和溶氢浓度分别为 0.53 min-1 和 1.81 mg l-1。与未添加纳米颗粒的对照组相比，MHMSN 显著提高了 H2 的溶解度和 KLa。这可能是因为 MHMSN 的加入促进了氢气泡与电极表面的分离过程，使氢气泡的直径变小，增加了气液传质面积，强化了 H2 的传质过程。此外，在无机-微生物混合催化体系中添加该物质，可有效促进微生物的碳还原过程，使聚羟基丁酸（PHB）产率高达 700 mg l-1，电子利用率和 CO2 转化率分别比对照组高 51 % 和 58 %。这些结果表明，添加 MHMSN 是提高 H2- 介导的无机-微生物混合催化系统性能的有效方法。

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