Green Chemical Engineering最新文献_第6页

Synergistic enhancement of pollutant removal from high-salt wastewater using coagulation-flotation combined process 混凝-浮选联合工艺协同强化高盐废水的污染物去除

IF 9.1 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-09-16 DOI: 10.1016/j.gce.2024.09.006

Enze Li , Jing Dong , Yongsheng Jia , Zihe Pan , Hongzhou Lv , Zhiping Du , Guandao Gao , Fangqin Cheng

Sufficient treatment of industrial organic wastewater with high salt and large amounts of suspended particulate matter remains a challenge worldwide. In this work, a novel coagulation-flotation combined process was developed to treat the suspended particles as well as significantly reduce organic pollutants content in the actual high-salt organic wastewater. Four typical inorganic and organic flocculants (poly aluminum chloride (PAC), poly ferric sulfate (PFS), polyacrylamide (PAM), and modified cationic starch (CS)) were selected for compounding to obtain an optimized flocculation system for high-salt wastewater. The results showed that the PAC-PAM with a 10:1 ratio in mass exhibited the best coagulation behaviors with the removal efficiency of turbidity and chemical oxygen demand (COD) being 95.33% and 9.21%, respectively, under the optimal operation conditions, and the sedimentation process of coagulant conformed to the quasi-second-order kinetics. The PAC-PAM flocs exhibited stronger netting, sweeping, and adsorption bridging capabilities, which were conducive to removing suspended particles. When the flotation was conducted after coagulation, the COD decreased significantly by 20.82%. In addition, this combined process could reduce the treatment time by 50% compared to the process with only coagulation treatment. During the flotation process, floc particles companies with hydrophobic polycyclic aromatic hydrocarbons could collide and adhere to microbubbles and be floated to the surface, resulting in an effective reduction of COD. This work could provide a novel strategy and step forward to design and optimize the pretreatment process engineering for organic high-salt wastewater.

如何充分处理含高盐和大量悬浮颗粒物的工业有机废水仍然是世界范围内的一个挑战。本文研究了一种新型混凝-浮选组合工艺，对实际高盐有机废水中的悬浮颗粒进行了处理，并显著降低了有机污染物的含量。选择4种典型的无机和有机絮凝剂（聚氯化铝（PAC）、聚硫酸铁（PFS）、聚丙烯酰胺（PAM）和改性阳离子淀粉（CS））进行复配，得到了高盐废水的最佳絮凝体系。结果表明，在最佳操作条件下，质量比为10:1的PAC-PAM表现出最佳的混凝性能，混凝剂的浊度和化学需氧量去除率分别为95.33%和9.21%，混凝剂的沉淀过程符合准二级动力学。PAC-PAM絮凝体具有较强的网状、清扫和吸附桥接能力，有利于去除悬浮颗粒。混凝后再浮选，COD显著降低20.82%。此外，与只进行混凝处理的工艺相比，该组合工艺可将处理时间缩短50%。在浮选过程中，与疏水多环芳烃相结合的絮凝颗粒会与微气泡发生碰撞并粘附，浮到表面，从而有效地降低了COD。本研究为有机高盐废水预处理工艺的设计与优化提供了新的思路和思路。

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引用次数: 0

Mini-hydrocyclones in water: state-of-the-art 水中的小型水力旋流器：最先进的

IF 7.6 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-09-10 DOI: 10.1016/j.gce.2024.09.002

Lin Liu , Yian Sun , Lixin Zhao , Yahong Wang , Zeth Kleinmeyer , Qinghai Yang , Diego Rosso

A mini-hydrocyclone (MHC) is known for its higher separation efficiency, particularly for fine or ultra-fine particles. However, the exact mechanism for enhancing the separation efficiency of MHCs has not been fully elucidated. This literature review fills the existing gap by comprehensively reviewing characteristics of the flow field inside MHCs, metrics of separation performance, applicable research methods, influence of physical and operating parameters, and provides references for future design and applications. Among them, the metrics of separation performance include grade separation efficiency, total separation efficiency, cut size, pressure drop, separation sharpness, and the fish hook effect, etc. This is the first time to comprehensively review the differences between MHCs and conventional hydrocyclones (CHCs) based on the above characteristics and metrics and analyze the separation advantages of MHCs. The fluid in MHC exhibits larger centrifugal acceleration, poor symmetry of tangential velocity, higher proportion of the wall friction loss, more obvious amplitude of partial sway of the air core, and smaller ratio of the locus of zero vertical velocity height to the total length of MHC. Challenges and further work on MHCs are also discussed in terms of potential applications and needed improvements.

微型旋流器（MHC）以其较高的分离效率而闻名，特别是对于细颗粒或超细颗粒。然而，提高mhc分离效率的确切机制尚未完全阐明。本文通过对mhc内部流场特征、分离性能指标、适用的研究方法、物理参数和操作参数的影响等方面的综述，填补了现有的空白，为今后的设计和应用提供参考。其中，分选性能指标包括品位分选效率、总分选效率、切割尺寸、压降、分选锐度、鱼钩效应等。本文首次综合评述了mhc与常规旋流器（CHCs）在上述特性和指标上的差异，并分析了mhc的分离优势。MHC内流体的离心加速度较大，切向速度对称性较差，壁面摩擦损失占比较高，空心偏摆幅值较明显，垂向零速度高度轨迹占MHC总长度的比例较小。从潜在的应用和需要改进的方面讨论了MHCs的挑战和进一步的工作。

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引用次数: 0

Synergistic coordination-regulated separation of nickel and cobalt from spent Ni(II) and Co(II) bearing choline chloride/ethylene glycol electrolyte: theoretical and experimental investigations 从含Ni（II）和Co（II）的氯化胆碱/乙二醇废电解液中协同配位调控镍钴分离：理论和实验研究

IF 9.1 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-09-07 DOI: 10.1016/j.gce.2024.09.003

Chaowu Wang , Jie Wang , Qibo Zhang

Developing efficient and environmentally friendly metal recovery technologies from secondary resources is crucial for enhancing resource utilization and promoting environmental sustainability. However, metals with similar physicochemical properties pose significant challenges in the recovery process, particularly for nickel and cobalt. Herein, we present a coordination-regulated approach utilizing water-, temperature-, and pH-codrived to achieve sequential precipitation recovery of nickel and cobalt from waste choline chloride/ethylene glycol (Ethaline) electrolyte containing Ni(II) and Co(II) ions. By carefully adjusting water content, temperature, and pH, we can control the speciation of Ni(II) ([NiCl(H₂O)₂(EG)₂]⁺) and Co(II) ([CoCl₂(H₂O)₂(EG)₂]⁰) ions in the Ethaline-based electrolyte, thereby facilitating nickel preferential precipitation. Additionally, further introducing water into the Co(II)-rich phase promotes the formation of [CoCl(H₂O)₃(EG)₂]⁺ complex ions, leading to efficient separation of cobalt. When oxalic acid is used as a precipitant, the recovery efficiencies for nickel and cobalt reach 96.3% and 97.5%, respectively, with purities of 97.8% and 98.5%. Importantly, distilling the water-containing solvent allows for regeneration of Ethaline with a yield rate as high as 97.1%, while maintaining its structural stability. This proposed strategy offers a promising pathway for sustainable metal recovery from spent Ethaline electrolytes containing metal ions while enabling solvent regeneration.

开发高效、环境友好的二次资源金属回收技术对提高资源利用率和促进环境可持续性至关重要。然而，具有类似物理化学性质的金属在回收过程中构成了重大挑战，特别是镍和钴。在此，我们提出了一种协调调节的方法，利用水、温度和ph驱动，从含有Ni（II）和Co（II）离子的废氯化胆碱/乙二醇（Ethaline）电解质中实现镍和钴的顺序沉淀回收。通过精心调节水的含量、温度和pH值，我们可以控制Ni(II) ([NiCl（H2O)2(EG)2]+）和Co(II) ([CoCl2（H2O)2(EG)2]0）离子在乙烷基电解质中的形态，从而促进镍的优先沉淀。此外，在Co（II）富相中进一步引入水，可促进[CoCl(H2O)3(EG)2]+络合离子的形成，从而实现钴的高效分离。以草酸为沉淀剂时，镍和钴的回收率分别达到96.3%和97.5%，纯度分别为97.8%和98.5%。重要的是，对含水溶剂进行蒸馏可以使乙炔再生，收率高达97.1%，同时保持其结构稳定性。该策略为从含金属离子的废乙炔电解质中可持续回收金属提供了一条有希望的途径，同时实现了溶剂再生。

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引用次数: 0

High-performance single crystal Ni-rich cathode with regulated lattice and interface constructed by separated lithiation and crystallization calcination 采用分离的锂化和结晶煅烧技术制备了具有可调节晶格和界面的高性能富镍单晶阴极

IF 7.6 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-09-07 DOI: 10.1016/j.gce.2024.09.004

Siqi Chen , Xin Zhou , Shuo Wang , Ping Zhang , Wenbin Wu , Xiaohong Liu , Guilin Feng , Bin Zhang , Wangyan Xing , Meihua Zuo , Ping Zhang , Wei Xiang

Incorporating high valence dopants, such as W⁶⁺ and Mo⁶⁺ has been verified to be effective for tuning the microstructure and grain boundary of polycrystal Ni-rich cathode. However, the hindered consolidation of primary particles induced by dopants during lithiation calcination limits the utilization of those dopants to crystalize single-crystal Ni-rich cathodes with stabilized lattice and surface. Herein, high performance single crystal LiNi_0.84Co_0.11Mn_0.05O₂ cathode with Al³⁺ and W⁶⁺ regulated lattice and boundary phase was construed based on commercial process with two-step calcination process containing separated lithiation and crystallization. The introduction of appropriate amount of Al³⁺ in the first lithiation calcination of 6 h endows the bulk of crystalline with enhanced lattice stability, while the incorporation of W⁶⁺ with stoichiometrical LiOH in the secondary crystallization calcination of 6 h renders uniformly distributed surface layer without hampering the growth of single-crystal. With the Al³⁺ doped bulk lattice, W⁶⁺ doped subsurface region and hetero-epitaxially grown Li₂WO₄, the cathode infused by two-step calcination exhibits high discharge capacity, rate performance, and cycling stability. Specifically, the modified LiNi_0.84Co_0.11Mn_0.05O₂ exhibits exceptional capacity retention, maintaining 88.98% of its initial capacity after 200 cycles at a rate of 1 C within a voltage window of 2.7–4.3 V at a temperature of 25 °C in half-cell. This performance is markedly superior to the capacity retention of 72.96% observed for pristine cathode. Even when subjected to a stringent test after 200 cycles at the same rate, the modified cathode sustains an impressive capacity retention of 82.41% at an elevated cut-off voltage of 4.5 V and a temperature of 30 °C.

W6+和Mo6+等高价掺杂剂的掺入对调整多晶富镍阴极的微观结构和晶界是有效的。然而，在锂化焙烧过程中，掺杂剂导致原生颗粒固结受阻，限制了利用这些掺杂剂制备晶格和表面稳定的富镍单晶阴极。本文以工业工艺为基础，采用锂化和晶化分离的两步煅烧工艺，制备了具有Al3+和W6+晶格和边界相调控的高性能单晶LiNi0.84Co0.11Mn0.05O2阴极。在第一次锂化焙烧6h时引入适量的Al3+，使晶体的整体晶格稳定性增强，而在第二次锂化焙烧6h时加入W6+和LiOH，使表面层分布均匀，不妨碍单晶的生长。两步煅烧注入的阴极具有Al3+掺杂的体晶格、W6+掺杂的亚表面区域和异质外延生长的Li2WO4，具有较高的放电容量、倍率性能和循环稳定性。具体而言，改性后的LiNi0.84Co0.11Mn0.05O2表现出优异的容量保持能力，在2.7-4.3 V电压窗口下，在25℃半电池温度下，以1℃的速率进行200次循环后，其容量保持在初始容量的88.98%。该性能明显优于原始阴极72.96%的容量保持率。即使以相同的速率进行200次循环后的严格测试，改性阴极在4.5 V的高截止电压和30°C的温度下仍能保持82.41%的惊人容量保持率。

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引用次数: 0

OFC: Outside Front Cover OFC：封面外侧

IF 9.1 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-09-03 DOI: 10.1016/S2666-9528(24)00045-1

引用次数: 0

Outside Back Cover 封底外侧

IF 9.1 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-09-03 DOI: 10.1016/S2666-9528(24)00053-0

引用次数: 0

Advanced data-driven techniques in AI for predicting lithium-ion battery remaining useful life: a comprehensive review 人工智能中预测锂离子电池剩余使用寿命的先进数据驱动技术：综合综述

IF 9.1 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-09-03 DOI: 10.1016/j.gce.2024.09.001

Sijing Wang , Ruoyu Zhou , Yijia Ren , Meiyuan Jiao , Honglai Liu , Cheng Lian

As artificial intelligence (AI) technology evolves, data-driven approaches are gaining attention in predicting lithium-ion battery's remaining useful life (RUL). Indeed, accurate RUL prediction is challenging, primarily because of the complex nature of the work and dynamic shifts in model parameters. To address these challenges, this article comprehensively explores five significant publicly accessible lithium-ion battery datasets, encompassing diverse usage conditions and battery types, offering researchers a rich repository of experimental data. In particular, we not only provide detailed information and access addresses for each dataset, but also present, four innovative methods for battery aging health factor extraction. These methods, based on advanced AI techniques, are able to effectively identify and quantify key indicators of battery performance degradation, thereby enhancing the precision and dependability of RUL prediction. Additionally, the article identifies major challenges faced by current predictive techniques, including data quality, model generalization capabilities, and computational cost, highlighting the need for research focused on dataset diversity, multiple algorithm fusion, and hybrid physical-data-driven models to enhance prediction accuracy. We believe that this review will help researchers gain a comprehensive understanding of RUL estimation methods and promote the development of AI in battery.

随着人工智能（AI）技术的发展，数据驱动方法在预测锂离子电池剩余使用寿命（RUL）方面受到越来越多的关注。事实上，准确的RUL预测是具有挑战性的，主要是因为工作的复杂性和模型参数的动态变化。为了应对这些挑战，本文全面探讨了五个重要的公开可访问的锂离子电池数据集，包括不同的使用条件和电池类型，为研究人员提供了丰富的实验数据库。特别是，我们不仅提供了每个数据集的详细信息和访问地址，而且还提出了四种创新的电池老化健康因素提取方法。这些方法基于先进的人工智能技术，能够有效识别和量化电池性能退化的关键指标，从而提高RUL预测的精度和可靠性。此外，本文还指出了当前预测技术面临的主要挑战，包括数据质量、模型泛化能力和计算成本，强调需要关注数据集多样性、多算法融合和混合物理数据驱动模型的研究，以提高预测精度。我们相信这篇综述将有助于研究人员对RUL估计方法有一个全面的了解，并促进电池AI的发展。

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引用次数: 0

Evaluating ionic liquid toxicity with machine learning and structural similarity methods 用机器学习和结构相似方法评估离子液体毒性

IF 9.1 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-08-23 DOI: 10.1016/j.gce.2024.08.008

Rongli Shan , Runqi Zhang , Ying Gao , Wenxin Wang , Wenguang Zhu , Leilei Xin , Tianxiong Liu , Yinglong Wang , Peizhe Cui

Ionic liquids (ILs) have garnered significant interest owing to their distinct physicochemical traits. Nonetheless, their extensive application is curtailed by ecotoxicity concerns. This study aimed to develop a quantitative structure-activity relationship (QSAR) model for predicting the toxicity of ILs in biological cells. Toxicity data of ILs on leukemia rat cell line IPC-81, Escherichia coli (E. coli), and acetylcholinesterase (AChE) were collected from open-source databases, and two integrated models, random forest (RF) and gradient boosted decision tree (GBDT), were used to train the data. The molecular structures of the ILs were represented by three different methods, namely molecular descriptor (MD), molecular fingerprint (MF), and molecular identifier (MI), respectively. The Tanimoto similarity coefficients indicate that MD has a stronger ability to recognize structural similarity. Statistical metrics of model performance showed that the two models (MD-RF and MD-GBDT) with MD as an input feature performed better in the three datasets. The application of the SHapley Additive exPlanations (SHAP) method explains the importance of different features. Specifically, reducing the carbon chain length and the number of fluorine atoms in the structure of ILs can effectively reduce their toxic effects on biological cells. This study employs machine learning to grasp better how the structure of ILs relates to inhibiting biotoxicity, offering insights for crafting safer, eco-friendly IL designs.

离子液体以其独特的物理化学特性引起了人们的极大兴趣。然而，它们的广泛应用受到生态毒性问题的限制。本研究旨在建立一种定量构效关系（QSAR）模型来预测il在生物细胞中的毒性。从开源数据库中收集il对白血病大鼠细胞系IPC-81、大肠杆菌（E. coli）和乙酰胆碱酯酶（AChE）的毒性数据，采用随机森林（RF）和梯度增强决策树（GBDT）两种集成模型对数据进行训练。分别用分子描述符（MD）、分子指纹（MF）和分子标识符（MI）三种不同的方法来表征分子结构。谷本相似性系数表明，MD具有较强的结构相似性识别能力。模型性能的统计度量表明，以MD为输入特征的两种模型（MD- rf和MD- gbdt）在三个数据集中表现更好。应用SHapley加性解释（SHAP）方法解释了不同特征的重要性。具体来说，减少il结构中的碳链长度和氟原子数可以有效降低其对生物细胞的毒性作用。本研究采用机器学习来更好地掌握IL的结构与抑制生物毒性的关系，为制作更安全、环保的IL设计提供见解。

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引用次数: 0

Constructing potassium and hydroxyl co-doped dual-dipole structures on highly active 3D g-C3N4 surfaces for highly boosting photocatalytic hydrogen peroxide production efficiency in pure water 在高活性三维g-C3N4表面构建钾和羟基共掺杂双偶极子结构，以提高纯水光催化过氧化氢生产效率

IF 9.1 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-08-22 DOI: 10.1016/j.gce.2024.08.006

Jiaxing Wu , Jiajie Yu , Fan Fan , Runhua Li , Mengxiang Wang , Gang Li , Yuting Wang , Yongpeng Cui , Daoqing Liu , Yajun Wang , Wenqing Yao

Producing hydrogen peroxide (H₂O₂) through visible-light-driven photocatalytic oxygen reduction in pure water is crucial for sustainable ecological applications but poses significant challenges. It include the rapid recombination of electron-hole pairs and a scarcity of effective catalytic sites, which traditionally limit the process efficiency. To address these issues, we have developed a novel catalyst, designated as KCNOH, which consists of a three-dimensional (3D) porous g-C₃N₄ framework doped with potassium (K⁺) and modified with surface hydroxyl groups (–OH). This design significantly enhances H₂O₂ yield, achieving 91.36 μmol g⁻¹ h⁻¹ (cut 420 nm)—a yield approximately 36 times higher than conventional bulk g-C₃N₄ (2.57 μmol g⁻¹ h⁻¹). The introduction of a 3D porous structure provides an abundance of active-sites. The dual-dipole mechanism, facilitated by K⁺ ions and hydroxyl groups, plays a pivotal role by efficiently transporting photogenerated electrons and consuming holes, respectively. Through density functional theory (DFT) calculations, the changes in the band structure of the catalyst caused by the doping of K⁺ and the grafting of –OH were elucidated. In addition, the transition state affinity of oxygen induced by the –OH was also studied to reveal the synergistic catalytic mechanism. This mechanism markedly reduces carrier recombination and accelerates charge migration, underscoring its importance in catalyst design. Our findings not only improve the understanding of charge dynamics but also open novel perspectives for the design of highly-efficient composite materials, which is crucial for energy and environmental applications.

在纯水中通过可见光驱动的光催化氧还原生产过氧化氢（H2O2）对于可持续生态应用至关重要，但也面临着重大挑战。它包括电子-空穴对的快速重组和有效催化位点的缺乏，这限制了传统的工艺效率。为了解决这些问题，我们开发了一种新的催化剂，命名为KCNOH，它由一个三维（3D）多孔g-C3N4框架组成，其中掺杂了钾（K+），并用表面羟基（-OH）修饰。该设计显著提高了H2O2的产率，达到91.36 μmol g−1 h−1（切割420 nm），比常规g- c3n4 （2.57 μmol g−1 h−1）的产率提高了约36倍。三维多孔结构的引入提供了丰富的活性位点。由K+离子和羟基促进的双偶极子机制分别有效地传递光生电子和消耗空穴，起着关键作用。通过密度泛函理论（DFT）计算，阐明了K+掺杂和-OH接枝对催化剂能带结构的影响。此外，还研究了-OH诱导氧的过渡态亲和力，揭示了协同催化机理。这一机制显著减少了载流子重组，加速了电荷迁移，强调了其在催化剂设计中的重要性。我们的发现不仅提高了对电荷动力学的理解，而且为高效复合材料的设计开辟了新的视角，这对能源和环境应用至关重要。

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引用次数: 0

Efficient removal and reusage of acid soluble oil in waste H2SO4 of isobutane alkylation by low-temperature carbonization process 低温碳化法高效脱除异丁烷烷基化废液中酸溶性油的研究

IF 9.1 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering

Pub Date : 2024-08-22 DOI: 10.1016/j.gce.2024.08.007

Zhihong Ma, Weizhong Zheng, Kexin Yan, Qiaoling Zhang, Weizhen Sun, Ling Zhao

Waste H₂SO₄ from industrial isobutane alkylation, a hazardous thick liquid with a high concentration of acid soluble oil (ASO) impurities, poses challenges in the regeneration process. Herein, an innovative low-temperature carbonization process was proposed to convert waste H₂SO₄ into the regenerated concentrated H₂SO₄ and sulfonated activated carbon materials (SACMs) under mild reaction conditions. The optimal reaction temperature is identified at 423.15 K with the highest total organic carbon (TOC) removal of 90.57%. The high-purity regenerated H₂SO₄ with a concentration of 95% as a catalyst for isobutane alkylation exhibits excellent catalytic performance with 94.54 research octane number (RON) of the alkylate. SACMs, characterized as a novel porous carbon material with plentiful hydroxyl, carboxylic acid, and sulfonic acid functional groups, demonstrate an efficient catalytic activity in the dimerization of lactic acid to produce lactide with a yield of 46.95%. Hopefully, the novel recovery process provides a promising application to optimize the regeneration process of waste H₂SO₄ from industrial isobutane alkylation.

工业异丁烷烷基化产生的H2SO4是一种含有高浓度酸溶性油（ASO）杂质的危险浓稠液体，对再生工艺提出了挑战。本文提出了一种创新的低温碳化工艺，在温和的反应条件下，将废硫酸转化为再生的浓硫酸和磺化活性炭材料（sacm）。最佳反应温度为423.15 K，总有机碳（TOC）去除率最高，达90.57%。纯度为95%的再生H2SO4作为异丁烷烷基化催化剂具有优异的催化性能，其研究辛烷值（RON）为94.54。sacm是一种新型多孔碳材料，具有丰富的羟基、羧酸和磺酸官能团，在乳酸二聚化反应中具有高效的催化活性，产率为46.95%。该工艺有望为工业异丁烷烷基化废硫酸再生工艺的优化提供有前景的应用。

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引用次数: 0