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A deep reinforcement learning framework for regime-specific decision in the operation of industrial ammonium sulfate crystallization 工业硫酸铵结晶操作中特定制度决策的深度强化学习框架
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-20 DOI: 10.1016/j.ceja.2026.101051
Thanchanok Archapitakkol , Santi Bardeeniz , Thanayuth Kaweetirawatt , Chanin Panjapornpon
Real-time prediction of crystal size in industrial ammonium sulfate (AS) crystallization remains a challenge due to opaque slurry conditions, delayed laboratory measurements, variability across nucleation and crystal growth, and a mismatched sampling interval between inputs and output. Therefore, this study develops a reinforcement-learning router for regime-specific decision-making to guide a multi-model prediction framework in estimating the ratio of large AS crystals. The operating domain is segmented into distinct regimes, and a specialized long short-term memory is trained for each segmented regime to learn the characteristics and local dynamics. A Deep Q-Network (DQN) router evaluates sequential inputs to make a decision and select the best submodel by balancing predictive accuracy and operational consistency. The model is verified on the industrial-scale crystallization system. Based on the results, the DQN-router agent demonstrates effective performance across the distinct operatiing regimes using ten actions. The proposed model achieves a coefficient of determination of 0.961, a root mean square error of 1.810, and a mean absolute percentage error of 1.392 % and outperforms a single-prediction model without decision-making and benchmarked selectors. Analysis of router decisions confirms that the learned policy adapts effectively with shifting operating conditions and resolves overlaps between regime boundaries. A constrained optimization analysis of the model predictions identifies an optimal 19-hour operating pattern, consisting of an 11-hour hold-up period and an 8-hour discharge period, which produces an average large-crystal ratio of 88.38 % ± 2.09 %.
由于浆液条件不透明、实验室测量延迟、成核和晶体生长的可变性以及输入和输出之间的采样间隔不匹配,工业硫酸铵(AS)结晶晶体尺寸的实时预测仍然是一个挑战。因此,本研究开发了一种用于特定状态决策的强化学习路由,以指导多模型预测框架估计大AS晶体的比例。将操作域划分为不同的区域,并针对每个区域训练专门的长短期记忆来学习特征和局部动态。深度Q-Network (Deep Q-Network, DQN)路由器对序列输入进行评估,通过平衡预测精度和操作一致性来做出决策并选择最佳子模型。该模型在工业规模结晶系统上得到了验证。基于结果,DQN-router代理使用十个动作在不同的操作制度中展示了有效的性能。该模型的决定系数为0.961,均方根误差为1.810,平均绝对百分比误差为1.392%,优于没有决策和基准选择器的单一预测模型。对路由器决策的分析证实,学习到的策略能够有效地适应不断变化的运行条件,并解决了状态边界之间的重叠。对模型预测进行约束优化分析,确定了最佳的19小时工作模式,包括11小时的保持时间和8小时的放电时间,平均大晶比为88.38%±2.09%。
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引用次数: 0
Biochar from waste vineyard pruning as a selective sorbent for biogas upgrading by pressure swing adsorption: Experimental and modelling study 废弃葡萄园修剪的生物炭作为一种选择性吸附剂,通过变压吸附进行沼气升级:实验和模型研究
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-20 DOI: 10.1016/j.ceja.2026.101050
Daniel Mammarella, Katia Gallucci, Andrea Di Giuliano
Biochar derived from vineyard pruning waste (a readily available agro-industrial byproduct) was investigated as a sustainable sorbent for Pressure Swing Adsorption (PSA) applied to biogas upgrading to biomethane. Biochar had been previously produced through gasification at two Equivalence Ratios (ER = 0.15 and 0.30). Biochar samples “as-received” and “chemically activated” were tested for CO2/CH4 separation at industrially relevant pressures (5-9 bara), according to a full 23 factorial Design of Experiments. ANOVA revealed that chemical activation and pressure were significant factors influencing CO2 and CH4 sorption capacities, CO2/CH4 selectivity, and biomethane recovery. The activation increased the adsorption of both CO2 and CH4, albeit it lowered CO2/CH4 selectivity and biomethane recovery. Four empirical models were developed and validated to predict the behavior of those key performance parameters for biogas upgrading. These models proved to be simple yet effective tools for estimating CO2 and CH4 sorption capacities, CO2/CH4 selectivity, and biomethane recovery within an industrially relevant pressure range for biogas upgrading via PSA technology. The use of as-received biochar with ER of 0.30 at 5 bara emerged as the optimal compromise achieving CO2/CH4 selectivity of 3.0 molCO2/molCH4, CH4 recovery above 66% with a CH4 purity suitable for grid injection (≥ 96 mol%). These results positioned the vineyard pruning biochar as a viable, circular-economy-fulfilling material for PSA-based biogas upgrading.
从葡萄园修剪废弃物中提取的生物炭(一种容易获得的农业工业副产品)被研究作为一种可持续的吸附剂,用于变压吸附(PSA),用于沼气升级为生物甲烷。生物炭以前是通过两种等效比(ER = 0.15和0.30)的气化生产的。根据完整的23因子实验设计,在工业相关压力(5-9 bara)下,对“接收”和“化学活化”的生物炭样品进行CO2/CH4分离测试。方差分析表明,化学活化和压力是影响CO2和CH4吸附能力、CO2/CH4选择性和生物甲烷回收率的重要因素。活化增加了CO2和CH4的吸附,但降低了CO2/CH4的选择性和生物甲烷的回收率。建立并验证了四个经验模型来预测沼气升级的关键性能参数的行为。这些模型被证明是简单而有效的工具,用于估算CO2和CH4的吸附能力、CO2/CH4的选择性,以及在工业相关压力范围内通过PSA技术进行沼气升级的生物甲烷回收率。在5 bara条件下,使用ER为0.30的生物炭是实现CO2/CH4选择性3.0 molCO2/molCH4的最佳折衷方案,CH4回收率超过66%,CH4纯度适合栅格注射(≥96 mol%)。这些结果将葡萄园修剪生物炭定位为一种可行的、循环经济的、基于psa的沼气升级材料。
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引用次数: 0
Mechanism-based kinetic modeling of magnesium sulfate hydration for thermochemical energy storage 基于机理的硫酸镁水化热化学储能动力学建模
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-19 DOI: 10.1016/j.ceja.2026.101048
Tobias Niederkofler , Aldo Giovannini , Roman Lackner
Magnesium sulfate and water form a promising reaction pair for thermochemical energy storage due to their high energy density, yet practical implementation is hindered by slow hydration kinetics. Although various studies have reported qualitative observations of this behavior, a quantitative assessment of how key operating conditions affect the reaction rate has been lacking. This study systematically examines the influence of temperature, water vapor pressure, particle size, and layer thickness on the hydration rate of magnesium sulfate using thermogravimetric analysis. A kinetic model is developed to quantify the dependence of the reaction rate on these parameters. The results show that the hydration proceeds through a single-step reaction that is well described by a contracting-sphere model. Model simulations closely reproduce the experimental data, enabling reliable prediction of hydration behavior under realistic operating conditions. The findings clarify the underlying reaction behavior and provide a foundation for reliable performance prediction in future reactor design and system modeling.
硫酸镁和水由于其高能量密度而形成了一个很有前途的热化学储能反应对,但由于水化动力学缓慢,实际应用受到阻碍。尽管各种研究报告了这种行为的定性观察,但缺乏对关键操作条件如何影响反应速率的定量评估。本研究采用热重分析法系统考察了温度、水蒸气压、粒径、层厚对硫酸镁水化率的影响。建立了一个动力学模型来量化这些参数对反应速率的依赖性。结果表明,水化反应是单步反应,可以用收缩球模型很好地描述。模型模拟紧密再现实验数据,能够在实际操作条件下可靠地预测水化行为。这些发现阐明了潜在的反应行为,并为未来反应堆设计和系统建模的可靠性能预测奠定了基础。
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引用次数: 0
Sustainable remediation of acid mine drainage using coal fly ash: A comprehensive review and bibliometric analysis 粉煤灰对酸性矿井废水的可持续修复研究综述及文献计量学分析
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-17 DOI: 10.1016/j.ceja.2026.101047
Tumelo M Mogashane, Abesach M Motlatle, Boledi N Mosoma, Lebohang Mokoena, James Tshilongo
Acid mine drainage (AMD) remains one of the most persistent environmental challenges linked with mining activities, characterized by low pH and high concentrations of sulfate and dissolved metals. In recent years, Coal Fly Ash (CFA), a significant industrial by-product of burning coal, has become a viable, affordable, and sustainable material for treating AMD. This review critically analyses current developments in the use of CFA for AMD remediation, emphasizing its physicochemical characteristics, pollutant removal methods, and performance-enhancing changes. Key findings from experimental and pilot-scale studies show that CFA can effectively neutralize acidic pH, remove up to 99 % of heavy metals, and precipitate sulphates through adsorption and co-precipitation processes. Modified CFA materials, including those treated with acids, bases, or nanomaterials, further enhance removal efficiencies and broaden application potential. Challenges related to CFA variability, long-term stability of treated effluents, and potential secondary pollution are critically discussed. The integration of CFA into sustainable AMD management frameworks is also explored, along with emerging innovations such as CFA-based composites and combined treatment systems. A bibliometric analysis highlighted important authors and nations that contribute to this topic and identified key trends in research production. These insights highlight the growing global interest and collaboration in developing sustainable, circular solutions for mine water remediation using industrial by-products.
酸性矿山排水(AMD)仍然是与采矿活动有关的最持久的环境挑战之一,其特点是pH值低,硫酸盐和溶解金属浓度高。近年来,煤粉煤灰(CFA)作为一种重要的工业燃烧副产物,已成为一种可行、经济、可持续的治疗AMD的材料。这篇综述批判性地分析了目前使用CFA进行AMD修复的进展,强调了其物理化学特性、污染物去除方法和性能增强的变化。实验和中试研究的关键发现表明,CFA可以有效中和酸性pH值,去除高达99%的重金属,并通过吸附和共沉淀过程沉淀硫酸盐。改性的CFA材料,包括用酸、碱或纳米材料处理的材料,进一步提高了去除效率,扩大了应用潜力。重点讨论了与CFA变异性、处理后废水的长期稳定性和潜在的二次污染相关的挑战。还探讨了CFA与可持续AMD管理框架的整合,以及诸如基于CFA的复合材料和联合处理系统等新兴创新。文献计量学分析突出了对这一主题做出贡献的重要作者和国家,并确定了研究成果的关键趋势。这些见解凸显了全球对利用工业副产品开发可持续、循环的矿山水修复解决方案的兴趣和合作日益增长。
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引用次数: 0
Degradation and defluorination of perfluorooctane sulfonate (PFOS) forever chemical in water using hydrodynamic cavitation treatment 利用水动力空化处理对水中永久化学物质全氟辛烷磺酸的降解和除氟
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-16 DOI: 10.1016/j.ceja.2026.101046
Amit Kumar , Anett Georgi , Ysabel Huaccallo-Aguilar , Markus Meier , Holger Kryk , Sebastian Felix Reinecke , Uwe Hampel
Per- and polyfluoroalkyl substances (PFAS), also known as "forever chemicals," are persistent environmental contaminants that pose significant risks to human health and aquatic ecosystems. Their extreme chemical stability primarily due to the strong carbon–fluorine (C–F) bond, the strongest bond in organic chemistry makes them highly resistant to degradation, even under harsh oxidative conditions. This study examines the degradation and defluorination of PFAS using a catalyst-free and chemical-additive-free orifice-based hydrodynamic cavitation (HC) treatment system. In HC, the rapid formation and subsequent collapse of cavitation bubbles generate intense shockwaves, localized high pressures, and elevated temperatures. These extreme conditions create a highly reactive physicochemical environment capable of initiating PFAS breakdown and promoting effective defluorination. In this study, perfluorooctane sulfonate (PFOS), a representative long-chain PFAS, was selected at initial concentrations of 1 mg/L and 5 mg/L. Treatments were conducted under intense HC conditions (inlet orifice pressure of 48 bar; cavitation number of 0.03) with varying treatment durations. The results demonstrated increased PFOS degradation with treatment time along with detection of released fluoride ions indicating effective cleavage of C–F bonds. PFOS degradation reached 37%, and the degree of defluorination was 20% related to initial PFOS, respectively. The degradation followed first-order kinetics, with rate constants ranging from 0.7 × 10⁻³ to 40 × 10⁻³ 1/min. At an electrical energy per order (EEO) of 7–598 kWh/m3/order, the corresponding electrical energy input required for PFOS degradation ranged from 1 to 75 kWh/m3. These findings underscore the potential of HC as a scalable and effective PFAS treatment technology.
全氟和多氟烷基物质(PFAS)也被称为“永久化学品”,是对人类健康和水生生态系统构成重大风险的持久性环境污染物。它们极端的化学稳定性主要是由于强大的碳-氟(C-F)键,有机化学中最强的键使它们即使在恶劣的氧化条件下也能高度抗降解。本研究考察了使用无催化剂和无化学添加剂的基于孔口的水动力空化(HC)处理系统对PFAS的降解和除氟。在HC中,空化气泡的快速形成和随后的破裂产生强烈的冲击波、局部高压和高温。这些极端条件创造了一个高度活跃的物理化学环境,能够启动PFAS分解并促进有效的除氟。本研究选取了具有代表性的长链PFAS全氟辛烷磺酸(PFOS),初始浓度分别为1mg /L和5mg /L。在不同处理时间的高强度HC条件下(进口孔压力为48 bar,空化数为0.03)进行处理。结果表明,随着处理时间的延长,全氟辛烷磺酸的降解增加,同时释放的氟离子的检测表明C-F键的有效裂解。全氟辛烷磺酸的降解达到37%,与初始全氟辛烷磺酸相关的除氟程度分别为20%。降解遵循一级动力学,速率常数在0.7 × 10⁻³到40 × 10⁻³/min之间。当每阶电能(EEO)为7-598 kWh/m3/阶时,全氟辛烷磺酸降解所需的相应电能输入范围为1 - 75 kWh/m3。这些发现强调了HC作为一种可扩展和有效的PFAS治疗技术的潜力。
{"title":"Degradation and defluorination of perfluorooctane sulfonate (PFOS) forever chemical in water using hydrodynamic cavitation treatment","authors":"Amit Kumar ,&nbsp;Anett Georgi ,&nbsp;Ysabel Huaccallo-Aguilar ,&nbsp;Markus Meier ,&nbsp;Holger Kryk ,&nbsp;Sebastian Felix Reinecke ,&nbsp;Uwe Hampel","doi":"10.1016/j.ceja.2026.101046","DOIUrl":"10.1016/j.ceja.2026.101046","url":null,"abstract":"<div><div>Per- and polyfluoroalkyl substances (PFAS), also known as \"forever chemicals,\" are persistent environmental contaminants that pose significant risks to human health and aquatic ecosystems. Their extreme chemical stability primarily due to the strong carbon–fluorine (C–F) bond, the strongest bond in organic chemistry makes them highly resistant to degradation, even under harsh oxidative conditions. This study examines the degradation and defluorination of PFAS using a catalyst-free and chemical-additive-free orifice-based hydrodynamic cavitation (HC) treatment system. In HC, the rapid formation and subsequent collapse of cavitation bubbles generate intense shockwaves, localized high pressures, and elevated temperatures. These extreme conditions create a highly reactive physicochemical environment capable of initiating PFAS breakdown and promoting effective defluorination. In this study, perfluorooctane sulfonate (PFOS), a representative long-chain PFAS, was selected at initial concentrations of 1 mg/L and 5 mg/L. Treatments were conducted under intense HC conditions (inlet orifice pressure of 48 bar; cavitation number of 0.03) with varying treatment durations. The results demonstrated increased PFOS degradation with treatment time along with detection of released fluoride ions indicating effective cleavage of C–F bonds. PFOS degradation reached 37%, and the degree of defluorination was 20% related to initial PFOS, respectively. The degradation followed first-order kinetics, with rate constants ranging from 0.7 × 10⁻³ to 40 × 10⁻³ 1/min. At an electrical energy per order (<em>EEO</em>) of 7–598 kWh/m<sup>3</sup>/order, the corresponding electrical energy input required for PFOS degradation ranged from 1 to 75 kWh/m<sup>3</sup>. These findings underscore the potential of HC as a scalable and effective PFAS treatment technology.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101046"},"PeriodicalIF":7.1,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of activation, performance and reusability between eggshell-derived heterogenous and homogenous catalysts for neem oil biodiesel 印楝油生物柴油蛋壳衍生多相和均相催化剂的活化、性能和可重复使用性评价
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-15 DOI: 10.1016/j.ceja.2026.101045
Mohammad Abu Shohel, Md. Aminul Islam, Md.Tahmidur Rahman Siam
This research investigates the catalytic efficacy between two homogeneous and two heterogeneous catalysts for biodiesel production from neem oil. Eggshell-derived heterogeneous catalysts of CaO and a mixed CaO-SiO2 are compared to traditional homogeneous catalysts of NaOH and KOH, The CaO catalyst is obtained by calcining chicken eggshells at 900 °C for 3 h and the CaO-SiO2 catalyst is prepared by combining CaO and SiO2 in a 2:1 ratio in methanol prior to transesterification. Reaction parameters are varied for a methanol to oil molar ratio of 9:1 to 20:1, catalyst concentration from 1% to 3%, temperature form 60 °C to 65 °C, and time from 60 to 120 min. The yield of biodiesel with the increase in reaction parameters for homogeneous catalysts declines from 74.63 % to 22.65 % for KOH and from 70.87 % to 28.69 % for NaOH, whereas, for heterogeneous catalysts increases from 37.50 % to 73.24 % for CaO and from 44.37 % to 91.13 % for CaO-SiO2. The incorporation of SiO2 serves as a barrier on the catalyst surface to reduce leaching of Ca2+by 23% compare to CaO catalyst and enhances biodiesel yield to 91.13%. Ultrasonication before transesterification has been found as a vital activation step that significantly enhance the catalytic activity relative to conventional stirring methods. CaO retains catalytic activity for two months with only 1.71% decline in yield and CaO-SiO2 exhibits superior reusability with yields decreasing from 83.03% to 69.04% after three cycles. Findings indicate that eggshell-derived heterogeneous catalysts are cost-effective and sustainable for the production of neem oil biodiesel having properties similar to ASTM D 6751.
研究了两种均相催化剂和两种非均相催化剂对印楝油制备生物柴油的催化效果。将蛋壳衍生的CaO和混合CaO-SiO2非均相催化剂与传统的NaOH和KOH均相催化剂进行了比较。CaO催化剂是由鸡壳在900℃下煅烧3 h得到的,CaO和SiO2在甲醇中以2:1的比例组合后进行酯交换制备的。反应参数为:甲醇与油的摩尔比为9:1 ~ 20:1,催化剂浓度为1% ~ 3%,温度为60 ~ 65℃,反应时间为60 ~ 120 min。随着反应参数的增加,均相催化剂的生物柴油产率由KOH的74.63%下降到22.65%,NaOH的70.87%下降到28.69%,而非均相催化剂的CaO的37.50%上升到73.24%,CaO- sio2的44.37%上升到91.13%。与CaO催化剂相比,SiO2在催化剂表面起到屏障作用,使Ca2+的浸出率降低23%,生物柴油收率提高到91.13%。与传统的搅拌方法相比,在酯交换反应前进行超声处理是一个重要的活化步骤,可以显著提高催化活性。CaO在2个月内保持了催化活性,产率仅下降了1.71%,CaO- sio2表现出优异的可重复使用性,产率在3个循环后从83.03%下降到69.04%。研究结果表明,蛋壳衍生的多相催化剂具有成本效益和可持续性,可用于生产具有类似ASTM D 6751特性的印楝油生物柴油。
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引用次数: 0
Energy optimization in electrochemical oxidation for wastewater treatment using interpretable machine learning 利用可解释机器学习进行废水处理的电化学氧化能量优化
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-13 DOI: 10.1016/j.ceja.2026.101044
Mohammad Baghani, Mahdieh Soltanian, Mohammad-Hossein Sarrafzadeh
Electrochemical oxidation (EO) promises broad-spectrum removal of recalcitrant pollutants from wastewater but is often penalized by high energy demand and uncertain scale-up. This study presents a data-driven framework that links EO operating conditions to energy consumption and removal performance using a curated dataset of 255 experimental conditions collected from the literature and laboratory reports. Three regression models, Random Forest, SVR and XGBoost were trained, compared, and tuned through nested cross-validation, with XGBoost yielding the best predictive accuracy (5-fold CV R² = 0.9727, RMSE = 25.7 kWh·m⁻³, MAE = 8.95 kWh·m⁻³). Interpretability analyses (feature gain, SHAP summary, PDPs and ablation tests) show that current density and pollutant class jointly explain the majority of variance, with current density alone accounting for the largest single share. A leave-one-study-out experiment reveals that prediction degrades when extrapolating to pollutant categories not represented in the training set, highlighting a clear limitation for broad extrapolation. The complete dataset, trained models and reproducible code are provided in the supplementary repository, supporting transport and data-driven optimization of EO systems for wastewater treatment.
电化学氧化(EO)有望广谱去除废水中的顽固性污染物,但往往受到高能耗和不确定规模的限制。本研究提出了一个数据驱动的框架,使用从文献和实验室报告中收集的255个实验条件的精心整理的数据集,将EO操作条件与能耗和去除性能联系起来。对随机森林、SVR和XGBoost三种回归模型进行了训练、比较和调整,通过嵌套交叉验证,XGBoost的预测精度最高(5倍CV R²= 0.9727,RMSE = 25.7 kWh·m⁻³,MAE = 8.95 kWh·m⁻³)。可解释性分析(特征增益、SHAP摘要、pdp和消融测试)表明,电流密度和污染物类别共同解释了大部分差异,其中电流密度单独占最大的份额。一个留一项研究的实验表明,当外推到未在训练集中表示的污染物类别时,预测会下降,这突出了广泛外推的明显局限性。在补充存储库中提供了完整的数据集,训练模型和可重复的代码,支持废水处理EO系统的传输和数据驱动优化。
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引用次数: 0
Solvent-regulated synthesis of S-scheme BiOBr/TiO2 heterojunctions: Mechanism and pathway analysis for efficient photocatalytic degradation of sodium pentachlorophenate 溶剂调节合成S-scheme BiOBr/TiO2异质结:高效光催化降解五氯酚钠的机理和途径分析
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-13 DOI: 10.1016/j.ceja.2026.101043
Ruyi Xu , Xinquan Wang , Nannan Wu , Zhenzhen Liu , Shanshan Di , Huiyu Zhao , Zhiwei Wang , Chengbo Gu , Peipei Qi
In this study, a high-performance S-scheme heterojunction BiOBr/TiO2 photocatalyst composite was obtained within 1 h through adjusting the key factors of one-step solvothermal method for degradation of sodium pentachlorophenate (PCP-Na). Particluarly, ethylene glycol proportion in solvent significantly influenced the morphology and crystalline phase of BiOBr/TiO2 composite. The optimized composite featured a unique mulberry-like structure composed of densely arranged microspheres, which enhanced its specific surface area and provided abundant active sites. Compared to pure BiOBr and TiO2, the BiOBr/TiO2 composite exhibited a broader visible-light absorption range, more efficient charge separation and transfer, and a stronger photocurrent response. Under visible light irradiation, BiOBr/TiO2 degraded 93.09 % of PCP-Na within 120 min, which was approximately 15 times higher than that of pure TiO2. Mechanistic investigations indicated that ·O2 and h+were the primary active species involved in the photocatalytic process. The main degradation pathways invloved dechlorination and single-electron coupling reaction. Moreover, the composite exhibited high degradation efficiency for PCP-Na in real water sample under visible light and maintained good stability.
本研究通过调整一步溶剂热法降解五氯酚钠(PCP-Na)的关键因素,在1 h内获得了高性能的S-scheme异质结BiOBr/TiO2光催化剂复合材料。特别是溶剂中乙二醇的比例对BiOBr/TiO2复合材料的形貌和晶相有显著影响。优化后的复合材料具有独特的桑葚状结构,由密集排列的微球组成,提高了其比表面积,并提供了丰富的活性位点。与纯BiOBr和TiO2相比,BiOBr/TiO2复合材料具有更宽的可见光吸收范围,更有效的电荷分离和转移,以及更强的光电流响应。在可见光照射下,BiOBr/TiO2在120 min内降解了93.09%的PCP-Na,比纯TiO2降解率提高了约15倍。机理研究表明,·O2−和h+是参与光催化过程的主要活性物质。主要降解途径为脱氯和单电子耦合反应。此外,该复合材料在可见光下对实际水样中PCP-Na的降解效率高,并保持了良好的稳定性。
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引用次数: 0
Unveiling the soil-altering synergy: The dynamic interplay between microplastics and extracellular polymeric substances (EPS) in agricultural landscapes 揭示改变土壤的协同作用:微塑料和细胞外聚合物(EPS)在农业景观中的动态相互作用
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-10 DOI: 10.1016/j.ceja.2026.101042
Priyanka Singh, Murugesh Shivashankar
Microplastics (MPs), defined as plastic particles smaller than 5 mm, are emerging contaminants of global concern due to their persistence and ecological risks. Although widely studied in aquatic systems, their effects on terrestrial environments especially soils remain underexplored. Soils act as major sinks and secondary sources of MPs, where these particles interact with microorganisms, plants, and extracellular polymeric substances (EPS). EPS, secreted by microbes, are key to soil structure, nutrient cycling, and microbial aggregation. The introduction of MPs can disturb these systems by altering microbial community composition, EPS production, and nutrient dynamics, leading to changes in soil aggregation, water retention, and fertility. Furthermore, MPs can adsorb and transport toxic additives and heavy metals, potentially affecting plant root development, nutrient uptake, and growth. Such interactions may disrupt soil health and ecosystem functioning. Understanding the mechanisms of MPs–EPS interactions is therefore essential to evaluate their influence on soil processes, plant productivity, and biogeochemical cycles. This review summarizes current knowledge on MPs in soil and sludge environments, emphasizing their effects and interaction to EPS and its effect on soil health and plant growth, and highlights research gaps crucial for developing sustainable management strategies.
微塑料(MPs)被定义为小于5毫米的塑料颗粒,由于其持久性和生态风险而成为全球关注的新兴污染物。尽管在水生系统中进行了广泛的研究,但它们对陆地环境,特别是土壤的影响仍未得到充分探讨。土壤是MPs的主要汇和次要来源,这些颗粒与微生物、植物和细胞外聚合物(EPS)相互作用。EPS由微生物分泌,是土壤结构、养分循环和微生物聚集的关键。MPs的引入可以通过改变微生物群落组成、EPS的产生和养分动态来干扰这些系统,从而导致土壤聚集性、保水性和肥力的变化。此外,MPs可以吸附和运输有毒添加剂和重金属,潜在地影响植物根系发育、养分吸收和生长。这种相互作用可能破坏土壤健康和生态系统功能。因此,了解MPs-EPS相互作用的机制对于评估它们对土壤过程、植物生产力和生物地球化学循环的影响至关重要。本文综述了目前关于土壤和污泥环境中MPs的知识,强调了它们对EPS的影响和相互作用及其对土壤健康和植物生长的影响,并强调了对制定可持续管理策略至关重要的研究空白。
{"title":"Unveiling the soil-altering synergy: The dynamic interplay between microplastics and extracellular polymeric substances (EPS) in agricultural landscapes","authors":"Priyanka Singh,&nbsp;Murugesh Shivashankar","doi":"10.1016/j.ceja.2026.101042","DOIUrl":"10.1016/j.ceja.2026.101042","url":null,"abstract":"<div><div>Microplastics (MPs), defined as plastic particles smaller than 5 mm, are emerging contaminants of global concern due to their persistence and ecological risks. Although widely studied in aquatic systems, their effects on terrestrial environments especially soils remain underexplored. Soils act as major sinks and secondary sources of MPs, where these particles interact with microorganisms, plants, and extracellular polymeric substances (EPS). EPS, secreted by microbes, are key to soil structure, nutrient cycling, and microbial aggregation. The introduction of MPs can disturb these systems by altering microbial community composition, EPS production, and nutrient dynamics, leading to changes in soil aggregation, water retention, and fertility. Furthermore, MPs can adsorb and transport toxic additives and heavy metals, potentially affecting plant root development, nutrient uptake, and growth. Such interactions may disrupt soil health and ecosystem functioning. Understanding the mechanisms of MPs–EPS interactions is therefore essential to evaluate their influence on soil processes, plant productivity, and biogeochemical cycles. This review summarizes current knowledge on MPs in soil and sludge environments, emphasizing their effects and interaction to EPS and its effect on soil health and plant growth, and highlights research gaps crucial for developing sustainable management strategies.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101042"},"PeriodicalIF":7.1,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent trends in porous materials science doped with MXene: toward AI-assisted design and performance optimization 掺杂MXene的多孔材料科学的最新趋势:走向人工智能辅助设计和性能优化
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-10 DOI: 10.1016/j.ceja.2026.101041
Sara Estaji , Shahab Moghari , Sogand Ahmadi , Pouya Khattami Kermanshahi , Hosein Ali Khonakdar
MXenes are an emerging family of two-dimensional transition metal carbides and nitrides that have attracted considerable attention due to their exceptional electrical conductivity, surface chemistry tunability, and layered architecture. Despite rapid progress, the rational design of porous MXene-based composites remains fragmented, with limited cross-cutting analyses that connect porous-host selection, structure–property relationships, scalability, and data-driven optimization. In this review, building upon and extending our prior contributions, we present a comprehensive and critical synthesis of organic and inorganic porous materials integrated with MXenes, including metal–organic frameworks (MOFs), covalent organic frameworks (COFs), zeolites, porous polymers, and carbon-based hosts. Beyond a descriptive survey, this work introduces a unified comparative framework that quantitatively contrasts porous hosts in terms of conductivity enhancement, mechanical robustness, manufacturability, and compatibility with machine-learning-assisted optimization. One of the key innovations of this review is the explicit integration of artificial intelligence into porous MXene materials design: we systematically analyze AI-assisted and non-AI design paradigms, propose a closed-loop AI–experiment workflow, and introduce a figure of merit (FoM_AI design) to benchmark predictive reliability, data efficiency, and resource utilization across different AI strategies. By linking hierarchical porosity, MXene electronic structure, and data-centric intelligence, this review moves beyond conventional trial-and-error approaches and establishes a conceptual roadmap for predictive, scalable, and application-oriented porous MXene composites. The insights provided here define clear short-, mid-, and long-term research directions for next-generation materials targeting energy storage, electrocatalysis, sensing, electromagnetic interference shielding, and environmental remediation.
MXenes是一类新兴的二维过渡金属碳化物和氮化物,由于其优异的导电性、表面化学可调性和层状结构而引起了人们的广泛关注。尽管进展迅速,但基于mxene的多孔复合材料的合理设计仍然是碎片化的,在多孔介质选择、结构-性质关系、可扩展性和数据驱动优化方面的横切分析有限。在这篇综述中,我们建立并扩展了我们之前的贡献,我们提出了一个综合和关键的有机和无机多孔材料与MXenes集成,包括金属有机框架(MOFs),共价有机框架(COFs),沸石,多孔聚合物和碳基宿主。除了描述性调查之外,这项工作还引入了一个统一的比较框架,该框架在导电性增强、机械稳健性、可制造性和与机器学习辅助优化的兼容性方面定量对比多孔基质。本综述的关键创新之一是将人工智能明确集成到多孔MXene材料设计中:我们系统地分析了人工智能辅助和非人工智能设计范式,提出了一个闭环人工智能实验工作流,并引入了一个价值图(FoM_AI设计)来基准不同人工智能策略的预测可靠性、数据效率和资源利用率。通过将分层孔隙度、MXene电子结构和以数据为中心的智能联系起来,该综述超越了传统的试错方法,并建立了可预测、可扩展和面向应用的多孔MXene复合材料的概念路线图。本文提供的见解明确了下一代材料的短期、中期和长期研究方向,目标是储能、电催化、传感、电磁干扰屏蔽和环境修复。
{"title":"Recent trends in porous materials science doped with MXene: toward AI-assisted design and performance optimization","authors":"Sara Estaji ,&nbsp;Shahab Moghari ,&nbsp;Sogand Ahmadi ,&nbsp;Pouya Khattami Kermanshahi ,&nbsp;Hosein Ali Khonakdar","doi":"10.1016/j.ceja.2026.101041","DOIUrl":"10.1016/j.ceja.2026.101041","url":null,"abstract":"<div><div>MXenes are an emerging family of two-dimensional transition metal carbides and nitrides that have attracted considerable attention due to their exceptional electrical conductivity, surface chemistry tunability, and layered architecture. Despite rapid progress, the rational design of porous MXene-based composites remains fragmented, with limited cross-cutting analyses that connect porous-host selection, structure–property relationships, scalability, and data-driven optimization. In this review, building upon and extending our prior contributions, we present a comprehensive and critical synthesis of organic and inorganic porous materials integrated with MXenes, including metal–organic frameworks (MOFs), covalent organic frameworks (COFs), zeolites, porous polymers, and carbon-based hosts. Beyond a descriptive survey, this work introduces a unified comparative framework that quantitatively contrasts porous hosts in terms of conductivity enhancement, mechanical robustness, manufacturability, and compatibility with machine-learning-assisted optimization. One of the key innovations of this review is the explicit integration of artificial intelligence into porous MXene materials design: we systematically analyze AI-assisted and non-AI design paradigms, propose a closed-loop AI–experiment workflow, and introduce a figure of merit (FoM_AI design) to benchmark predictive reliability, data efficiency, and resource utilization across different AI strategies. By linking hierarchical porosity, MXene electronic structure, and data-centric intelligence, this review moves beyond conventional trial-and-error approaches and establishes a conceptual roadmap for predictive, scalable, and application-oriented porous MXene composites. The insights provided here define clear short-, mid-, and long-term research directions for next-generation materials targeting energy storage, electrocatalysis, sensing, electromagnetic interference shielding, and environmental remediation.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"26 ","pages":"Article 101041"},"PeriodicalIF":7.1,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146098720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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Chemical Engineering Journal Advances
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