Chemical Engineering Journal Advances最新文献_第7页

Chiral phosphonium ion-pairing catalysis: From structural innovation to asymmetric synthesis 手性磷离子对催化：从结构创新到不对称合成

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-21 DOI: 10.1016/j.ceja.2025.101002

Wenchao Chen , Jia Zhi , Xiaoying Jiang, Renren Bai

Chiral phosphonium salt catalysis has emerged as a crucial component of asymmetric ion-pairing catalysis, demonstrating growing significance in the field of asymmetric catalytic synthesis. With the unique structural features and outstanding catalytic properties, chiral phosphonium salts can excel in a wide variety of asymmetric reactions, exhibiting excellent catalytic performance and remarkable stereocontrol. Researchers have successfully developed various types of chiral phosphonium salt catalysts, including 1,1′-binaphthyl-based phosphonium salts, chiral diamine-derived P-spirotetraaminophosphonium salts, amino acid-derived bifunctional phosphonium salts, and peptide-based multifunctional phosphonium salts. This review comprehensively surveys two decades of advances in chiral phosphonium ion-pairing catalysis, encompassing the rational design strategies, synthetic approaches, wide-ranging utility in various asymmetric reactions, as well as practical applications in the construction of diverse chiral skeletons. Meanwhile, we delve into the catalytic mechanisms in multiple asymmetric reactions. Drawing upon a thorough synthesis of the present landscape, we additionally present a forward-looking perspective on the trajectory of this field’s future development. The ultimate goal is to spark innovative research endeavors, promote the creation of chiral phosphonium salts with novel skeletal frameworks, and the development of new catalytic systems, thereby further advancing the widespread application and vigorous development of chiral phosphonium ion-pairing catalysis.

手性磷盐催化作为不对称离子配对催化的重要组成部分，在不对称催化合成领域的意义日益突出。手性磷盐具有独特的结构特征和优异的催化性能，在多种不对称反应中表现优异，具有优异的催化性能和良好的立体控制性。研究人员已经成功开发了多种类型的手性磷盐催化剂，包括1,1 ' -联萘基磷盐、手性二胺衍生的对-四氨基磷盐、氨基酸衍生的双功能磷盐和肽基多功能磷盐。本文综述了二十年来手性磷离子对催化的研究进展，包括合理的设计策略、合成方法、在各种不对称反应中的广泛应用以及在构建各种手性骨架中的实际应用。同时，研究了多种不对称反应的催化机理。在全面综合当前景观的基础上，我们还对该领域未来发展的轨迹提出了前瞻性的观点。最终目的是激发创新性的研究努力，促进具有新型骨架框架的手性磷盐的产生，以及新的催化体系的开发，从而进一步推动手性磷离子对催化的广泛应用和蓬勃发展。

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引用次数: 0

Multi-mechanistic adsorption of pharmaceuticals and personal care products on oxidized microplastics: Oxidation processes, mechanisms, and environmental implications 药物和个人护理产品在氧化微塑料上的多机制吸附：氧化过程、机制和环境影响

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-19 DOI: 10.1016/j.ceja.2025.101000

Dale Jason Panio Gamorot, Angelo Earvin Sy Choi

Microplastics (MPs) have emerged as significant environmental pollutants, raising concerns due to their persistence, widespread distribution, and potential impacts on ecological and human health. Oxidation processes increase the sorptive capacity of MPs by adding oxygen-containing functional groups and creating rougher, more reactive surfaces. This review focuses on how these oxidation-induced changes modify the adsorption of pharmaceuticals and personal care products (PPCPs). Oxidized MPs exhibit altered surface polarity and charge, strengthening key interactions such as hydrophobic partitioning, hydrogen bonding, and electrostatic attraction. Environmental conditions, including pH, salinity, and the degree of aging, further influence these mechanisms. Hydrophilic PPCPs generally show stronger affinity for oxidized MPs because their functional groups interact more effectively with the modified surfaces. Variations in pH and salinity can reduce sorption by shifting surface charge and disrupting electrostatic forces. This review demonstrates that oxidation-driven surface transformations are central to understanding how MPs adsorb, transport, and potentially release PPCPs in aquatic environments, shaping their environmental behavior and associated risks.

微塑料已成为重要的环境污染物，其持久性、广泛分布以及对生态和人类健康的潜在影响引起了人们的关注。氧化过程通过添加含氧官能团和创造更粗糙、更活泼的表面来增加MPs的吸附能力。本文综述了这些氧化诱导的变化如何改变药物和个人护理产品（PPCPs）的吸附。氧化MPs表现出表面极性和电荷的改变，加强了关键的相互作用，如疏水分配、氢键和静电吸引。环境条件，包括pH值、盐度和老化程度，进一步影响这些机制。亲水性PPCPs通常对氧化MPs表现出更强的亲和力，因为它们的官能团与修饰的表面更有效地相互作用。pH和盐度的变化可以通过改变表面电荷和破坏静电力来减少吸附。这篇综述表明，氧化驱动的表面转化对于理解MPs如何在水生环境中吸附、运输和潜在释放PPCPs、塑造其环境行为和相关风险至关重要。

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引用次数: 0

Manganese enriched zeolitic imidazole framework-67 and doped reduced graphene oxide hybrid electrocatalyst applied in alkaline Zn-air battery 富锰分子筛咪唑骨架-67和掺杂还原性氧化石墨烯杂化电催化剂在碱性锌空气电池中的应用

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-19 DOI: 10.1016/j.ceja.2025.100999

S. Fajardo , C.M. Sánchez-Sánchez , P. Ocón , J.L. Rodríguez , E. Pastor

The development of durable, low-cost electrocatalysts for the oxygen reduction reaction (ORR) is crucial to the advancement of Zn–air batteries. Here different zeolitic imidazolium framework (ZIF-67)-based hybrid electrocatalysts supported on reduced graphene oxide (rGO) are evaluated (ZIF/rGO, ZIF/SN-rGO, and MnZIF/SN-rGO) for the ORR in alkaline media and gel Zn–air batteries. A key feature of this work is the application of pumped-micropipette delivery/substrate-collection (pumped-MD/SC) mode of scanning electrochemical microscopy (SECM) in alkaline electrolyte, a mode rarely explored and, to the best of our knowledge, not previously reported for ORR mapping under these conditions. Pumped-MD/SC SECM current maps unambiguously identify MnZIF/SN-rGO as the most active electrocatalytic material, showing the lowest overpotential, as well as exhibiting the highest limiting current and negligible H₂O₂ yield evaluated by rotating ring-disc electrode (RRDE). The catalyst retains its activity after 1000 potential cycles under ORR conditions, evidencing excellent durability. When implemented as the air-cathode in a non-rechargeable gel Zn–air battery, MnZIF/SN-rGO delivers a specific capacity of 803 mAh g^-¹_Zn and a specific energy of 1119 mWh g^-¹_Zn, sustaining a stable discharge > 1.4 V for 32 h at 10 mA cm^-². These metrics surpass most gel-electrolyte Zn–air batteries reported under comparable conditions, highlighting the practical relevance of the catalyst. The combined SECM–battery approach links spatially resolved ORR activity with device-level performance, providing mechanistic insight and a robust benchmark for future cathode design. Overall, MnZIF/SN-rGO emerges as a highly durable and efficient cathode for gel Zn–air batteries.

开发耐用、低成本的氧还原反应电催化剂对锌空气电池的发展至关重要。本文研究了还原氧化石墨烯（rGO）负载的不同分子筛基咪唑骨架（ZIF-67）杂化电催化剂（ZIF/rGO、ZIF/SN-rGO和MnZIF/SN-rGO）在碱性介质和凝胶zn -空气电池中的ORR性能。这项工作的一个关键特征是在碱性电解质中应用了扫描电化学显微镜（SECM）的泵送-微移液管输送/底物收集（泵送- md /SC）模式，这是一种很少探索的模式，据我们所知，以前没有报道过在这些条件下进行ORR测绘。泵送md /SC SECM电流图明确地将MnZIF/SN-rGO确定为最活跃的电催化材料，显示出最低的过电位，以及最高的极限电流和可忽略不计的H₂O₂产率。在ORR条件下，该催化剂在1000次潜在循环后仍保持其活性，具有优异的耐久性。作为不可再充电凝胶锌-空气电池的空气阴极，MnZIF/SN-rGO提供803 mAh g-¹Zn的比容量和1119 mWh g-¹Zn的比能量，在10 mA cm-²下保持1.4 V 32小时的稳定放电。这些指标超过了在可比条件下报道的大多数凝胶电解质锌空气电池，突出了催化剂的实际相关性。组合式secm -电池方法将空间分解的ORR活动与设备级性能联系起来，为未来的阴极设计提供了机制见解和可靠的基准。总的来说，MnZIF/SN-rGO是凝胶锌空气电池的一种高度耐用和高效的阴极。

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引用次数: 0

Adsorption of Mn2+, Co2+, and Ni2+ in MOF-808 and pyrazole-modified MOF-808: Selectivity trends assessed with microcalorimetry and spectroscopic analysis MOF-808和吡唑改性MOF-808对Mn2+、Co2+和Ni2+的吸附：用微量热法和光谱分析评估选择性趋势

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-19 DOI: 10.1016/j.ceja.2025.101003

Boyoung Song , Nadine Kabengi , Jackson Geary , Dorina F. Sava Gallis , Kevin Leung , Anastasia G. Ilgen

Zirconium(IV)-based metal-organic framework (MOF) MOF-808 and pyrazole-functionalized MOF-808 were investigated for the selective adsorption of Mn²⁺, Co²⁺, and Ni²⁺, the key components of lithium-ion battery cathodes. Batch adsorption experiments were conducted to assess selectivity for each metal, while flow microcalorimetry was employed to assess thermodynamic signatures of adsorption. To understand molecular interactions between the MOFs and adsorbing metal ions we utilized attenuated total reflectance Fourier transform infrared (ATR-FTIR) and Ni K-edge extended X-ray absorption fine structure (EXAFS) spectroscopic analyses. For MOF-808, the adsorption followed Mn²⁺ > Co²⁺ ≈ Ni²⁺trend, following the changes in hydration energy of the examined ions. Pyrazole functionalization altered this trend by increasing the affinity of MOF-808-pyrazole for Ni only, while resulting in similar affinity for the other two ions (Ni²⁺ > Mn²⁺ > Co²⁺). Microcalorimetry revealed that Mn²⁺ adsorption on both MOFs was exothermic, whereas Co²⁺ and Ni²⁺ adsorption was endothermic. Importantly, ATR-FTIR spectra showed peak growth and vibrational band shifts assigned to direct interactions of Co²⁺ and Ni²⁺ with pyrazole groups, indicating that Ni²⁺ coordinates to N in pyrazole. Additionally, the shell-by-shell fitting of EXAFS data also indicated that some Ni²⁺ adsorption took place at the Zr oxo-cluster sites. These results demonstrate that metal adsorption by MOF-808 and MOF-808-pyrazole is metal-specific, governed by both hydration energy and the electrostatic interactions described by the Irving-Williams series. Importantly, pyrazole functionalization enables selective Ni²⁺ capture, offering new insights into ligand design within MOFs for target element separation from mixed aqueous systems.

研究了锆基金属有机骨架（MOF） MOF-808和吡唑功能化MOF-808对锂离子电池阴极关键组分Mn2+、Co2+和Ni2+的选择性吸附。通过批量吸附实验来评估每种金属的选择性，同时采用流动微热法来评估吸附的热力学特征。为了了解mof与吸附金属离子之间的分子相互作用，我们利用了衰减全反射傅立叶变换红外（ATR-FTIR）和Ni K-edge扩展x射线吸收精细结构（EXAFS）光谱分析。MOF-808的吸附遵循Mn2+ >； Co2+≈Ni2+的趋势，随所测离子水化能的变化而变化。吡唑功能化改变了这一趋势，增加了mof -808-吡唑只对Ni离子的亲和力，而对其他两个离子（Ni2+ > Mn2+ > Co2+）的亲和力相似。微量热分析表明，Mn2+在mof上的吸附是放热的，而Co2+和Ni2+的吸附是吸热的。重要的是，ATR-FTIR光谱显示了Co2+和Ni2+与吡唑基团直接相互作用的峰增长和振动带位移，表明Ni2+在吡唑中的坐标为N。此外，EXAFS数据的逐壳拟合也表明，在Zr氧簇位点发生了一些Ni2+吸附。这些结果表明，MOF-808和MOF-808-吡唑对金属的吸附是金属特异性的，受水化能和Irving-Williams系列描述的静电相互作用的控制。重要的是，吡唑功能化实现了选择性Ni2+捕获，为mof内的配体设计提供了新的见解，用于从混合水溶液中分离目标元素。

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引用次数: 0

Modeling heat and mass transfer in Williamson nanofluid stagnation flow: Influence of porosity, chemical reaction, and internal heating 模拟Williamson纳米流体停滞流动中的传热传质：孔隙度、化学反应和内部加热的影响

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-19 DOI: 10.1016/j.ceja.2025.100995

Shital Sobale , Jagadish V. Tawade , Ali B.M. Ali , Dana Mohammad Khidhir , Muyassar Norberdiyeva , F.F. Al-Harbi , Nitin Satpute , Nidhal Ben Khedher

Stagnation point flow of non-Newtonian fluids is crucial in understanding fluid behaviour in cooling systems, thrust bearings and other applications involving polymers and suspensions.^2,2 The present work explores the heat and mass transfer for stagnation point flow Williamson nanofluid over a porous stretching sheet subject to chemical reaction and internal heating. The partial differential equations governing the flow are formed as per the fundamental laws of heat and mass transfer. These equations are further transformed into ordinary differential equations using similarity transformations. The bvp4c package of MATLAB is used for solving the coupled ordinary differential equations formed. The profiles of velocity, temperature and concentration are graphically studied along with skin friction coefficient, Nusselt number and Sherwood number for varying values of the flow parameters like Williamson parameter(λ: 0.0 − 0.5) and stagnation parameter (ε: 0 − 0.2), porosity parameter (k₁: 0 − 1)), heating parameter(s: 0 − 0.2), radiation parameter(R: 0.1 − 0.5), thermophoresis parameter(Nt: 0.1–0.5), Brownian motion parameter(Nb: 0.1 − 0.5),Chemical reaction parameter(γ: 0.2 − 1.0) etc. The significant findings from this study reveal that stagnation parameter enhances velocity profiles while causing a decrease in temperature and concentration values. Nusselt number accelerates with stagnation parameter and radiation parameter. Also, comparative analysis is performed between previously published results and results obtained in this study.^1,2

非牛顿流体的滞止点流动对于理解冷却系统、推力轴承和其他涉及聚合物和悬浮液的应用中的流体行为至关重要本研究探讨了受化学反应和内部加热影响的多孔拉伸片上滞止点流动Williamson纳米流体的传热和传质。控制流动的偏微分方程是根据传热传质的基本定律形成的。利用相似变换将这些方程进一步转化为常微分方程。利用MATLAB的bvp4c包对所形成的耦合常微分方程进行求解。概要文件的速度、温度和浓度是图形学以及表面摩擦系数,努塞尔数和舍伍德数威廉姆森等流动参数的不同值参数(λ:0.0 − 0.5)和停滞参数(ε:0 − 0.2),孔隙度参数(k1: 0 − 1)),加热参数(s: 0 − 0.2),辐射参数(R: 0.1 − 0.5),热泳参数(Nt: 0.1 - -0.5),布朗运动参数(注:0.1 − 0.5),化学反应参数(γ: 0.2−1.0 )等。本研究的重要发现表明，滞止参数提高了速度分布，同时引起温度和浓度值的降低。努塞尔数随滞止参数和辐射参数的增加而加速。并将前人发表的结果与本研究的结果进行对比分析1,2

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引用次数: 0

A microbial electrochemical system enables the energy-efficient conversion of cyanobacterial biomass into plant fertilizer for Mars 微生物电化学系统能够将蓝藻生物质转化为火星的植物肥料

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-18 DOI: 10.1016/j.ceja.2025.100996

Tiago P Ramalho , Gaëlle Marchal , Óscar Santiago , Sven Kerzenmacher , Cyprien Verseux , Guillaume Pillot

Producing significant amounts of food on Mars will be challenging, as crops could not grow solely on local resources. One promising solution lies in first cultivating cyanobacteria using Martian regolith, sunlight, water, and atmospheric gases (N₂, CO₂), and in then using the cyanobacterial biomass as plant feedstock. However, this biomass must first be mineralized—removing organic carbon, releasing ammonium, and solubilizing nutrients—to be utilized efficiently by plants. Microbial electrochemical systems can enable this conversion while providing a broad range of products and services. This study explores how a microbial anode can transform cyanobacterial biomass into more plant-accessible nutrients and recover its chemical energy content as hydrogen. Three fermentative inocula were tested in minimal media by themselves and in combination with Geobacter sulfurreducens, a known exoelectrogen. Current was produced exclusively when G. sulfurreducens was co-inoculated, resulting in an average chemical oxygen demand (COD) removal of 38 %, a coulombic efficiency of 68 %, and a maximum current density of 3.7 mA per g of stainless-steel wool anode. The system was then successfully operated using leachate from a Martian regolith simulant as the primary mineral nutrient source, yielding 37 % COD removal, 49 % coulombic efficiency, and 3.5 mA g⁻¹ maximum current density. The bacterial and archaeal communities of the planktonic phase and anode were characterized to further understand the microbial composition of bioelectrochemical systems. The cell’s anolyte appeared suitable for hydroponic cultivation, highlighting the potential of bioelectrochemical systems to support food production and resource recycling in a Martian settlement.

在火星上生产大量食物将是一项挑战，因为作物不能仅靠当地资源生长。一个有希望的解决方案是首先利用火星风化层、阳光、水和大气气体（N₂、CO₂）培养蓝藻，然后将蓝藻生物量作为植物原料。然而，这些生物质必须首先矿化——去除有机碳，释放铵，溶解营养物质——才能被植物有效利用。微生物电化学系统可以实现这种转化，同时提供广泛的产品和服务。本研究探讨了微生物阳极如何将蓝藻生物量转化为更易于植物获取的营养物质，并将其化学能含量转化为氢。在最小的培养基中对三种发酵接种进行了单独和与硫还原地杆菌（一种已知的外电菌）联合的试验。当g .硫还原剂共接种时，只产生电流，导致平均化学需氧量（COD）去除率为38%，库仑效率为68%，不锈钢羊毛阳极的最大电流密度为3.7 mA / g。该系统成功地使用火星表土模拟物的渗滤液作为主要矿物营养来源，COD去除率为37%，库仑效率为49%，最大电流密度为3.5 mA g⁻¹。对浮游相和阳极的细菌和古细菌群落进行了表征，以进一步了解生物电化学系统的微生物组成。细胞的阳极电解质似乎适合水培培养，突出了生物电化学系统在火星定居点支持食物生产和资源回收的潜力。

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引用次数: 0

Efficient production of unspecific Peroxygenases using continuous culture of Komagataella phaffii 利用连续培养法菲Komagataella连续培养高效生产非特异性过氧酶

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-18 DOI: 10.1016/j.ceja.2025.100997

Zhiang Ma , Min Chen , Wuyuan Zhang , Jianye Xia

Unspecific peroxygenases (UPO) utilize hydrogen peroxide as cosubstrate and catalyze a broad range of selective oxidation reactions, offering advantages over complex and costly cytochromes P450 systems. Despite their potential in organic synthesis, the industrial adoption of UPO is hindered by the cost-inefficiency of fed-batch fermentation, which suffers from protracted cultivation timelines and inter-batch variability. This study developed a continuous culture process for UPO production using Komagataella phaffii. Feeding medium was first optimized to be suitable for continuous culture, then an optimal dilution rate was determined using high-throughput parallel bioreactors that give higher UPO productivity. A modified Basal Salt Medium (mBSM) with reduced magnesium sulfate concentrations was finally selected and a dilution rate of 0.03 h^-1 was chosen, as these combined conditions gave a volumetric UPO production rate of 5597.93 U/L/h and a specific activity production rate of 85.64 U/gDCW/h, which were 107.66%, and 67.56% higher over the fed-batch process, respectively. In addition, the established continuous process reduced unit cost of UPO by 21.8% for producing the same amount of UPO. These findings highlight the feasibility and economic benefits of continuous culture for UPO production.

非特异性过氧酶（UPO）利用过氧化氢作为共底物，催化广泛的选择性氧化反应，比复杂和昂贵的细胞色素P450系统具有优势。尽管它们在有机合成方面具有潜力，但UPO的工业采用受到补料分批发酵成本低效率的阻碍，这受到培养时间延长和批次间变化的影响。本研究开发了一种利用法菲小鹿草生产UPO的连续培养工艺。首先优化饲喂培养基，使其适合连续培养，然后使用高通量平行生物反应器确定最佳稀释率，以提高UPO生产率。最终选择硫酸镁浓度降低的改性基础盐培养基（mBSM），稀释率为0.03 h-1，其体积UPO产率为5597.93 U/L/h，比活性产率为85.64 U/gDCW/h，分别比进料批法提高了107.66%和67.56%。此外，在生产相同数量的UPO时，所建立的连续工艺使UPO的单位成本降低了21.8%。这些发现突出了连续培养生产UPO的可行性和经济效益。

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引用次数: 0

Occurrence and treatment of emerging contaminants in water: A comprehensive review 水中新出现污染物的发生与处理：综述

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-13 DOI: 10.1016/j.ceja.2025.100994

Muhammad Zeeshan , Safeerul Islam Hashmi , Arfa Iqbal , Umer Khayyam , Nayab Zahara , Mika Sillanpää

The occurrence of highly polar, potentially persistent and mobile organic micropollutants (OMP) in aquatic environments poses a significant threat to water resources and drinking water suppliers. Several OMP were identified in water bodies for the first time due to the improvement in analytical techniques. This review summarizes the occurrence of recently detected OMP, their fate, and treatment approaches for their effective removal. Additionally, this review examines current literature to evaluate the efficacy of different water treatment methods including managed aquifer recharge (MAR), adsorption methods (including carbon-based adsorbents, metal-organic frameworks (MOF), and ion exchange resins), and advanced oxidation processes (AOP) for the removal of OMP. The chosen techniques demonstrate efficacy in removing various OMP from water. The removal of various industrial chemicals and pharmaceuticals through bank filtration has been reported for the first time. Adsorbents, such as ion exchange resins and metal-organic frameworks (MOF), have demonstrated substantial removal efficiencies for several OMP, including per- and polyfluoroalkyl substances (PFAS) and other organic contaminants. Enhanced removal of both long- and short-chain PFAS was observed with ion exchange resins compared to other adsorbents. MOF materials are reported to exhibit high adsorption capacity and rapid kinetics for OMP removal in aqueous solutions. AOP effectively eliminates several emerging pollutants such as pharmaceuticals and PFAS. This review helps in identifying the best available technology for specific contaminants under defined conditions.

水生环境中高极性、潜在持久性和可移动的有机微污染物（OMP）的出现对水资源和饮用水供应商构成重大威胁。由于分析技术的改进，在水体中首次发现了几种OMP。本文综述了最近发现的OMP的发生，它们的命运，以及有效清除它们的治疗方法。此外，本文回顾了目前的文献，以评估不同的水处理方法的效果，包括含水层管理回灌（MAR）、吸附方法（包括碳基吸附剂、金属有机框架（MOF）和离子交换树脂）和高级氧化工艺（AOP）去除OMP。所选择的技术证明了从水中去除各种OMP的有效性。通过银行过滤去除各种工业化学品和药品已被首次报道。吸附剂，如离子交换树脂和金属有机框架（MOF），已显示出对几种有机污染物，包括全氟烷基和多氟烷基物质（PFAS）和其他有机污染物的大量去除效率。与其他吸附剂相比，离子交换树脂对长链和短链PFAS的去除效果都有所增强。据报道，MOF材料在水溶液中表现出高吸附能力和快速去除OMP的动力学。AOP有效地消除了一些新出现的污染物，如药品和PFAS。这一综述有助于确定在规定条件下针对特定污染物的最佳可用技术。

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引用次数: 0

Gas–liquid mass-transfer modeling in industrial-scale bioreactors: A standardized framework and critical assessment 工业规模生物反应器中的气液传质模型：标准化框架和关键评估

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-12 DOI: 10.1016/j.ceja.2025.100982

Víctor Puig-I-Laborda , Johan Le Nepvou De Carfort , Ulrich Krühne , Krist V. Gernaey , John M. Kavanagh , David F. Fletcher , Lars K. Nielsen

Gas transfer often limits large-scale bioprocesses, demanding robust models for design, scale-up, and scale-down. This study establishes a standardized computational framework for gas–liquid mass-transfer modeling in industrial-scale bioreactors, integrating and evaluating the main sub-models governing

k_{L} a

prediction — bubble dynamics, interfacial area, drag laws, and turbulence closures — within CFD simulations of a 134 m³ bubble column and a 96 m³ Rushton-impeller stirred tank. A systematic sensitivity analysis reveals that bubble size modeling (including pressure and coalescence corrections) and drag law selection are the dominant parameters controlling gas holdup and interfacial area, while

k_{L}

correlations and bubble-induced turbulence models exert secondary but non-negligible influence on local extremes of

k_{L} a

. Among tested formulations, the Grace–Simonnet drag law, hybrid (Higbie–Lamont–Scott)

k_{L}

approach, and variable single-bubble-size model offered the best trade-off between physical realism and computational cost. The results are consolidated into a decision chart that ranks sub-model relevance and guides model selection based on reactor type and turbulence regime. This framework provides decision-ready guidance for reliable, scale-consistent CFD modeling of gas–liquid mass transfer in large-scale bioreactors.

气体转移通常限制了大规模的生物过程，需要强大的模型来设计、放大和缩小。本研究建立了工业规模生物反应器气液传质建模的标准化计算框架，整合并评估了控制kLa预测的主要子模型——气泡动力学、界面面积、阻力规律和湍流闭流——在134 m3气泡塔和96 m3 rushton -叶轮搅拌槽的CFD模拟中。系统敏感性分析表明，气泡尺寸模型（包括压力和聚结修正）和阻力律选择是控制气含率和界面面积的主要参数，而kL相关性和气泡诱导湍流模型对kLa的局部极值具有次要但不可忽略的影响。在测试的公式中，Grace-Simonnet阻力定律、混合（Higbie-Lamont-Scott） kL方法和可变单气泡大小模型在物理真实性和计算成本之间提供了最好的权衡。结果被整合到一个决策图中，该决策图对子模型的相关性进行排序，并指导基于反应堆类型和湍流状态的模型选择。该框架为大型生物反应器中可靠的、尺度一致的气液传质CFD建模提供了决策准备指导。

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引用次数: 0

Alkaline solvothermal debromination of commercial brominated acrylonitrile butadiene styrene (ABS) 商品溴化丙烯腈-丁二烯-苯乙烯（ABS）的碱性溶剂热脱溴

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-12 DOI: 10.1016/j.ceja.2025.100993

Mario Ferreiro González, Fernanda Cabañas, Gregory S. Patience

Acrylonitrile-butadiene-styrene (ABS) is one of the most common thermoplastics and for decades, brominated fire retardants (BFR) were the primary compounds added to comply with fire safety regulations in electronic and electrical polymeric components. BFRs are effective at low concentrations, are stable up to 250 °C (sufficient for thermoplastic processes such as injection moulding), and are compatible with polymers (easy addition). However, their hazardous nature and environmental persistence sparked concerns about their use, which limits the possibility of recycling them. Currently, most of them are banned or have limitations on their application and concentration. Here, we report an alkaline solvothermal treatment to debrominate commercial ABS from end-of-life products (up to 97 %). The process operates between 160 °C to 190 °C with ethylene-glycol as solvent and KOH as extraction agent (1 M). It removes 95 % of the Br in 4 h above 160 °C and 97 % at

T = 160 \circ C

and 24 h. FTIR spectroscopy confirms that 30 % of the acrylonitrile reacts to form acrylic acid in the most aggressive conditions. Curiously, the

T_{g}

increases by up to 10 °C, which might improve the mechanical properties of the polymer.

丙烯腈-丁二烯-苯乙烯（ABS）是最常见的热塑性塑料之一，几十年来，溴化阻燃剂（BFR）是电子和电气聚合物部件中符合消防安全法规的主要化合物。BFRs在低浓度下有效，在250°C（足以用于热塑性工艺，如注塑成型）下稳定，并且与聚合物兼容（易于添加）。然而，它们的危险性质和环境持久性引发了人们对其使用的担忧，这限制了它们回收利用的可能性。目前，它们大多被禁止使用或限制使用和浓度。在这里，我们报告了一种碱性溶剂热处理从报废产品中脱溴的商业ABS（高达97%）。该工艺在160°C至190°C之间运行，乙二醇为溶剂，KOH为萃取剂（1m）。它在160°C以上4小时内去除95%的溴，在T=160°C和24小时内去除97%。红外光谱证实，在最恶劣的条件下，30%的丙烯腈反应生成丙烯酸。奇怪的是，Tg增加了10°C，这可能会改善聚合物的机械性能。

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引用次数: 0