Chemical Engineering Journal Advances最新文献

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

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。

{"title":"Enhanced cycling stability of silicon electrode for lithium-ion batteries by dual hydrogen bonding mediated by carboxylated carbon nanotube","authors":"","doi":"10.1016/j.ceja.2024.100673","DOIUrl":"10.1016/j.ceja.2024.100673","url":null,"abstract":"<div><div>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<sup>-1</sup> after 200 cycles at 2 A g<sup>-1</sup> and retains 1916 mAh g<sup>-1</sup> even at high current density of 10 A g<sup>-1</sup>. The structural integrity of the Si@TA/CNT-COOH electrode is also confirmed by less deformation and thickness change after cycling.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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。

{"title":"Microwave-assisted acid and alkali pretreatment of Napier grass for enhanced biohydrogen production and integrated biorefinery potential","authors":"","doi":"10.1016/j.ceja.2024.100672","DOIUrl":"10.1016/j.ceja.2024.100672","url":null,"abstract":"<div><div>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 H<sub>2</sub>/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 H<sub>2</sub>/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.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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。

{"title":"Innovative solar-assisted direct contact membrane distillation system: Dynamic modeling and performance analysis","authors":"","doi":"10.1016/j.ceja.2024.100671","DOIUrl":"10.1016/j.ceja.2024.100671","url":null,"abstract":"<div><div>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.</div><div>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.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142587294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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。

{"title":"Enhancing photovoltaic cell design with multilayer sequential neural networks: A study on neodymium-doped ZnO nanoparticles","authors":"","doi":"10.1016/j.ceja.2024.100669","DOIUrl":"10.1016/j.ceja.2024.100669","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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。

{"title":"Enhancement of H2-water mass transfer using methyl-modified hollow mesoporous silica nanoparticles for efficient microbial CO2 reduction","authors":"","doi":"10.1016/j.ceja.2024.100666","DOIUrl":"10.1016/j.ceja.2024.100666","url":null,"abstract":"<div><div>Inorganic-microbial hybrid catalysis is an emerging technology that uses electrical energy to drive microorganisms to reduce CO<sub>2</sub> into high value-added compounds, and it has broad application prospects in CO<sub>2</sub> 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 H<sub>2</sub> mass transfer. Here, silica nanoparticles were used to enhance the hydrogen mass transfer for highly efficient CO<sub>2</sub> 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<sub>L</sub>a) and saturated dissolved hydrogen concentration of H<sub>2</sub> are 0.53 min<sup>-1</sup> and 1.81 mg <span>l</span><sup>-1</sup>, respectively. Compared with the control group without added nanoparticles, MHMSN significantly increased the solubility and K<sub>L</sub>a of H<sub>2</sub>. 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 H<sub>2</sub>. 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 <span>l</span><sup>-1</sup>, and the electron utilization rate and CO<sub>2</sub> 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 H<sub>2</sub>-mediated inorganic-microbial hybrid catalysis system.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142531745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cobalt recovery from industrial and nuclear waste resources: A review 从工业和核废料资源中回收钴：综述

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-10-23 DOI: 10.1016/j.ceja.2024.100668

With the widespread applications of cobalt in energy storage, electronics, electric vehicles, and most importantly, in the production of ⁶⁰Co in nuclear industries, its recovery from secondary sources is increasingly important. On the other hand, approximately half of the 440 operating nuclear reactors, across the world, are expected to be retired in the next two decades, creating a significant amount of radioactive waste that poses a serious threat to the ecosystem. But cobalt has low adsorption capacity under low pH conditions, and competitive ions make its recovery difficult. To the best of author's knowledge, the adsorption capacity of cobalt is mostly reported under 500 mgg^-1. Firstly, this review provides a comprehensive overview of the physicochemical properties of cobalt isotopes. It then presents an in-depth analysis of various separation methods for cobalt from battery waste and nuclear wastewater, including physical-chemical, electrochemical, and biological methods. All techniques are evaluated based on their selectivity, efficiency, scalability, and environmental impact. By comparing state-of-the-art technology, this review aims to address existing gaps and advance our understanding of an efficient cobalt recovery from industrial waste. The review concludes with an overview of the global cobalt market, examining both radioactive and non-radioactive cobalt, and considers the economic implications of cobalt recovery.

随着钴在储能、电子、电动汽车以及最重要的核工业 60Co 生产中的广泛应用，从二次资源中回收钴变得越来越重要。另一方面，在全球 440 个运行中的核反应堆中，预计约有一半将在未来二十年内退役，这将产生大量放射性废料，对生态系统构成严重威胁。但在低 pH 值条件下，钴的吸附能力较低，竞争性离子使其难以回收。据笔者所知，钴的吸附容量大多低于 500 mgg-1。首先，本综述全面概述了钴同位素的物理化学特性。然后，深入分析了从电池废料和核废水中分离钴的各种方法，包括物理化学、电化学和生物方法。所有技术都根据其选择性、效率、可扩展性和对环境的影响进行了评估。通过比较最先进的技术，本综述旨在弥补现有差距，并加深我们对从工业废料中高效回收钴的理解。综述最后概述了全球钴市场，对放射性和非放射性钴进行了研究，并考虑了钴回收的经济影响。

{"title":"Cobalt recovery from industrial and nuclear waste resources: A review","authors":"","doi":"10.1016/j.ceja.2024.100668","DOIUrl":"10.1016/j.ceja.2024.100668","url":null,"abstract":"<div><div>With the widespread applications of cobalt in energy storage, electronics, electric vehicles, and most importantly, in the production of <sup>60</sup>Co in nuclear industries, its recovery from secondary sources is increasingly important. On the other hand, approximately half of the 440 operating nuclear reactors, across the world, are expected to be retired in the next two decades, creating a significant amount of radioactive waste that poses a serious threat to the ecosystem. But cobalt has low adsorption capacity under low pH conditions, and competitive ions make its recovery difficult. To the best of author's knowledge, the adsorption capacity of cobalt is mostly reported under 500 mgg<sup>-1</sup>. Firstly, this review provides a comprehensive overview of the physicochemical properties of cobalt isotopes. It then presents an in-depth analysis of various separation methods for cobalt from battery waste and nuclear wastewater, including physical-chemical, electrochemical, and biological methods. All techniques are evaluated based on their selectivity, efficiency, scalability, and environmental impact. By comparing state-of-the-art technology, this review aims to address existing gaps and advance our understanding of an efficient cobalt recovery from industrial waste. The review concludes with an overview of the global cobalt market, examining both radioactive and non-radioactive cobalt, and considers the economic implications of cobalt recovery.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Low-valent manganese active sites: Insight into reinforced interaction with sulfonated anthraquinone dye and kinetic adsorption studies over iron-modified cryptomelane 低价锰活性位点：深入了解与磺化蒽醌染料的强化相互作用以及铁改性隐色烷的动力学吸附研究

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-10-21 DOI: 10.1016/j.ceja.2024.100665

This study presents a facial co-precipitation method to enrich low-valent manganese sites for iron-doped cryptomelane. Fourier-transform infrared spectroscopy exhibits a noticeable enhancement of both vibrations at 1041 and 1116 cm^-1 ascribed to Mn³⁺-OH bond over as-prepared materials. X-ray diffraction, scanning electron microscopy, Raman spectroscopy, the temperature-programmed desorption of oxygen and inductively coupled plasma-mass spectrometry results all verify the increase in oxygen vacancies on iron-doped cryptomelane. The vital role of Mn³⁺-OH sites for adsorptive removal of acid blue 62 (AB62) was experimentally evident when adsorption capacity (Q_e, mg_AB62/g_adsorbent) increased from 54 ± 1.3 mg/g (for non-doped cryptomelane) to 161 ± 6.7 mg/g (for Fe-0.15) at initial pH 5.7. The decrease of Q_e from 313 mg/g (for initial pH 3.70) to 67 mg/g (for initial pH 9.95) over Fe-0.15 suggests protonation in acid media and deprotonation in basic media, reflecting efficient Mn³⁺-OH sites for reinforced interaction with sulfonate groups. The disappearance of sharp bands at 1041 and 1116 cm^-1 after adsorption and the replenishment of a broad band at ∼1250 cm^-1 over Fe-0.15 demonstrate the displacement of sulfonate groups by -OH species (from Mn³⁺-OH sites). Moreover, the deterioration of two stretching modes for O=S=O at 1187 and 1230 cm^-1 after adsorption reveals the formation of a monodentate or bidentate complex. Kinetic studies confirm the compatibility of AB62 chemisorption over Fe-0.15 with the pseudo-second-order kinetic, Elovich, and Langmuir isotherm models. The current findings first support evidences for the AB62 chemisorption on iron-doped cryptomelane and a Fe-0.15-feasible adsorbent for removal of sulfonated anthraquinone dye.

本研究提出了一种面部共沉淀方法，用于富集掺铁隐色烷的低价锰位点。傅立叶变换红外光谱显示，Mn3+-OH 键在 1041 和 1116 cm-1 处的振动比制备的材料明显增强。X 射线衍射、扫描电子显微镜、拉曼光谱、氧的温度编程解吸和电感耦合等离子体质谱分析结果都验证了掺铁隐色烷上氧空位的增加。当初始 pH 值为 5.7 时，吸附容量（Qe，毫克 AB62/吸附剂）从 54 ± 1.3 毫克/克（无掺杂隐色兰）增加到 161 ± 6.7 毫克/克（Fe-0.15）时，实验证明了 Mn3+-OH 位点在吸附去除酸性蓝 62（AB62）中的重要作用。与 Fe-0.15 相比，Qe 从 313 毫克/克（初始 pH 值为 3.70）降至 67 毫克/克（初始 pH 值为 9.95），这表明在酸性介质中发生了质子化，而在碱性介质中发生了去质子化，反映出 Mn3+-OH 位点与磺酸盐基团的相互作用得到了有效加强。在 Fe-0.15 上，吸附后 1041 和 1116 cm-1 处的尖带消失，1250 cm-1 处的宽带补充，这表明磺酸基团被 -OH 物种（来自 Mn3+-OH 位点）取代。此外，吸附后 1187 和 1230 cm-1 处 O=S=O 的两种伸展模式变差，表明形成了单齿或双齿复合物。动力学研究证实，AB62 在 Fe-0.15 上的化学吸附与伪二阶动力学、埃洛维奇和朗缪尔等温线模型兼容。目前的研究结果首次证明了 AB62 在掺铁的隐色兰上的化学吸附作用，以及 Fe-0.15 是去除磺化蒽醌染料的可行吸附剂。

{"title":"Low-valent manganese active sites: Insight into reinforced interaction with sulfonated anthraquinone dye and kinetic adsorption studies over iron-modified cryptomelane","authors":"","doi":"10.1016/j.ceja.2024.100665","DOIUrl":"10.1016/j.ceja.2024.100665","url":null,"abstract":"<div><div>This study presents a facial co-precipitation method to enrich low-valent manganese sites for iron-doped cryptomelane. Fourier-transform infrared spectroscopy exhibits a noticeable enhancement of both vibrations at 1041 and 1116 cm<sup>-1</sup> ascribed to Mn<sup>3+</sup>-OH bond over as-prepared materials. X-ray diffraction, scanning electron microscopy, Raman spectroscopy, the temperature-programmed desorption of oxygen and inductively coupled plasma-mass spectrometry results all verify the increase in oxygen vacancies on iron-doped cryptomelane. The vital role of Mn<sup>3+</sup>-OH sites for adsorptive removal of acid blue 62 (AB62) was experimentally evident when adsorption capacity (Q<sub>e</sub>, mg<sub>AB62</sub>/g<sub>adsorbent</sub>) increased from 54 ± 1.3 mg/g (for non-doped cryptomelane) to 161 ± 6.7 mg/g (for Fe-0.15) at initial pH 5.7. The decrease of Q<sub>e</sub> from 313 mg/g (for initial pH 3.70) to 67 mg/g (for initial pH 9.95) over Fe-0.15 suggests protonation in acid media and deprotonation in basic media, reflecting efficient Mn<sup>3+</sup>-OH sites for reinforced interaction with sulfonate groups. The disappearance of sharp bands at 1041 and 1116 cm<sup>-1</sup> after adsorption and the replenishment of a broad band at ∼1250 cm<sup>-1</sup> over Fe-0.15 demonstrate the displacement of sulfonate groups by -OH species (from Mn<sup>3+</sup>-OH sites). Moreover, the deterioration of two stretching modes for O=S=O at 1187 and 1230 cm<sup>-1</sup> after adsorption reveals the formation of a monodentate or bidentate complex. Kinetic studies confirm the compatibility of AB62 chemisorption over Fe-0.15 with the pseudo-second-order kinetic, Elovich, and Langmuir isotherm models. The current findings first support evidences for the AB62 chemisorption on iron-doped cryptomelane and a Fe-0.15-feasible adsorbent for removal of sulfonated anthraquinone dye.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142531743","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A hybrid predictive modeling approach for catalyzed polymerization reactors 催化聚合反应器的混合预测建模方法

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-10-19 DOI: 10.1016/j.ceja.2024.100662

Polymerization reactions are characterized by complex, nonlinear behaviors that pose significant challenges for conventional modeling techniques. Accurate and reliable models are crucial for advancing material science and enabling technological innovations across various industries. Conventional first-principles models often fall short in capturing the intricate dynamics of polymeric systems, leading to limitations in predictive accuracy. In this work, we propose a novel hybrid modeling approach that combines a conventional first-principles model with the strengths of a data-driven multi-layer perceptron (MLP) model and also a linear regression (LR) model to enhance the predictability of polymerization processes. Utilizing this hybrid approach significantly reduces the mean absolute error for predicting the concentrations of main reagents by 84% and 86%, respectively, in experiments with significantly deviant outcomes. Our results indicate that the model is capable of predicting the concentrations of both the main and side products with a maximum error margin of 3.5%.

聚合反应的特点是复杂的非线性行为，这给传统建模技术带来了巨大挑战。准确可靠的模型对于推动材料科学的发展和促进各行各业的技术创新至关重要。传统的第一原理模型往往无法捕捉到聚合物系统错综复杂的动力学特性，从而导致预测精度受到限制。在这项工作中，我们提出了一种新型混合建模方法，它将传统的第一原理模型与数据驱动的多层感知器（MLP）模型和线性回归（LR）模型的优势相结合，以提高聚合过程的可预测性。利用这种混合方法，在结果出现明显偏差的实验中，预测主要试剂浓度的平均绝对误差分别大幅降低了 84% 和 86%。我们的结果表明，该模型能够预测主产物和副产物的浓度，最大误差率为 3.5%。

引用次数: 0

On the reliability of image analysis for bubble size distribution measurements in electrolyte solutions in stirred reactors 搅拌反应器中电解质溶液气泡大小分布测量图像分析的可靠性

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-10-17 DOI: 10.1016/j.ceja.2024.100658

The translation of chemical processes from laboratory to industrial scale is crucial for the effective and sustainable implementation of new technologies. This transition presents significant challenges, particularly in multiphase systems where variations in physical chemistry can complicate scale-up efforts. A key aspect of this challenge is understanding bubble dynamics in gas-liquid systems, which are pivotal in processes such as hydrogen production and CO2 absorption. Bubble size significantly influences mass transfer rates and process efficiency, necessitating accurate measurement methods. A factorial design approach was employed to assess the sensitivity of results to key parameters. The findings provide quantitative guidelines for optimizing image analysis techniques and improving the accuracy of bubble size measurements in diverse operational conditions. This work advances the understanding of bubble dynamics in gas-liquid systems and offers practical insights for refining measurement techniques, ultimately supporting more effective scale-up of chemical processes.

将化学过程从实验室规模转化为工业规模，对于新技术的有效和可持续实施至关重要。这种转变带来了巨大的挑战，特别是在多相系统中，物理化学的变化会使放大工作变得复杂。这一挑战的一个关键方面是了解气液系统中的气泡动力学，这在制氢和二氧化碳吸收等过程中至关重要。气泡大小对传质速率和工艺效率有重大影响，因此需要精确的测量方法。我们采用了因子设计方法来评估结果对关键参数的敏感性。研究结果为优化图像分析技术和提高不同操作条件下气泡尺寸测量的准确性提供了定量指导。这项工作加深了人们对气液系统中气泡动力学的理解，并为完善测量技术提供了实用的见解，最终为更有效地扩大化学工艺规模提供了支持。

引用次数: 0

Developing a machine learning-based methodology for optimal hyperparameter determination—A mathematical modeling of high-pressure and high-temperature drilling fluid behavior 开发基于机器学习的最优超参数确定方法--高压高温钻井液行为数学建模

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-10-16 DOI: 10.1016/j.ceja.2024.100663

Drilling fluids exhibit complex rheological behavior due to a non-linear response to shear rate variations and high sensitivity to changes in temperature, time, and pressure conditions. The prediction of drilling fluid rheological behavior is crucial for the success of oil well drilling, and it directly impacts the fluid's performance. The dataset used in this study was obtained from extensive rheometric tests of water-based and olefin-based drilling fluids in steady-state flow curves. The optimal hyperparameters were guided by performance metrics and compared with alternative models such as Power-law and Herschel-Bulkley rheological models. Different configurations with different hidden layers, using neuron sequences of 16, 32, and 64, learning rates of 0.001 and 0.01, and the ReLU activation function were used to improve the model's performance. Additionally, the paper delved into the impact of the number of training epochs on the accuracy of shear stress predictions. Finding this equilibrium was identified as a crucial factor in achieving precise results. The neural network model demonstrated remarkable accuracy when using the ML-C3 configuration, with MAE values of 0.535 and R² of 0.987 in predicting the steady-state flow curves of drilling fluids, establishing itself as a powerful tool for forecasting the rheological behavior of these fluids under diverse operational conditions. The present research significantly contributes to the field of drilling fluid rheology and provides valuable insights for optimizing drilling operations in HPHT environments.

钻井液由于对剪切速率变化的非线性响应以及对温度、时间和压力条件变化的高度敏感性而表现出复杂的流变行为。钻井液流变行为的预测对于油井钻探的成功至关重要，它直接影响到钻井液的性能。本研究使用的数据集来自对水基和烯烃基钻井液稳态流动曲线的大量流变测试。最佳超参数以性能指标为指导，并与 Power-law 和 Herschel-Bulkley 等流变模型进行比较。为了提高模型的性能，采用了不同的隐层配置，神经元序列分别为 16、32 和 64，学习率分别为 0.001 和 0.01，以及 ReLU 激活函数。此外，论文还深入研究了训练历元数对剪切应力预测准确性的影响。找到这一平衡点被认为是获得精确结果的关键因素。在使用 ML-C3 配置预测钻井液稳态流动曲线时，神经网络模型的 MAE 值为 0.535，R2 为 0.987，表现出了非凡的准确性，成为预测钻井液在不同作业条件下流变行为的有力工具。本研究为钻井液流变学领域做出了重大贡献，并为优化高温高压环境下的钻井作业提供了宝贵的见解。

{"title":"Developing a machine learning-based methodology for optimal hyperparameter determination—A mathematical modeling of high-pressure and high-temperature drilling fluid behavior","authors":"","doi":"10.1016/j.ceja.2024.100663","DOIUrl":"10.1016/j.ceja.2024.100663","url":null,"abstract":"<div><div>Drilling fluids exhibit complex rheological behavior due to a non-linear response to shear rate variations and high sensitivity to changes in temperature, time, and pressure conditions. The prediction of drilling fluid rheological behavior is crucial for the success of oil well drilling, and it directly impacts the fluid's performance. The dataset used in this study was obtained from extensive rheometric tests of water-based and olefin-based drilling fluids in steady-state flow curves. The optimal hyperparameters were guided by performance metrics and compared with alternative models such as Power-law and Herschel-Bulkley rheological models. Different configurations with different hidden layers, using neuron sequences of 16, 32, and 64, learning rates of 0.001 and 0.01, and the ReLU activation function were used to improve the model's performance. Additionally, the paper delved into the impact of the number of training epochs on the accuracy of shear stress predictions. Finding this equilibrium was identified as a crucial factor in achieving precise results. The neural network model demonstrated remarkable accuracy when using the ML-C3 configuration, with MAE values of 0.535 and <em>R<sup>2</sup></em> of 0.987 in predicting the steady-state flow curves of drilling fluids, establishing itself as a powerful tool for forecasting the rheological behavior of these fluids under diverse operational conditions. The present research significantly contributes to the field of drilling fluid rheology and provides valuable insights for optimizing drilling operations in HPHT environments.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142531741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0