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Cynara Scolymus Derived Carbon Dots as Functional Nanofillers for Sustainable Bioactive Furcellaran/Carboxymethyl Cellulose Films 碳点作为可持续生物活性糠醛/羧甲基纤维素膜的功能纳米填料
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-08-04 DOI: 10.1007/s11814-026-00796-y
Berkay Korkmaz, Selva Bilge, Ayşe Karakeçili

Furcellaran (FUR) is a polysaccharide extracted from red algae with excellent film forming abilities. Meanwhile, carboxymethyl cellulose (CMC) is a polymer derived from cellulose and possesses desirable characteristics like non-allergen and fracture resistance. Blending these two complementary polymers can contribute to the preparation of sustainable materials with improved properties and meet the pillars of Sustainable Development Goals (SDGs). On the other hand, the absence of antioxidant and antibacterial capabilities shall restrict the potential use of these materials in several fields such as biomedical applications and packaging. Herein, FUR/CMC films incorporated with different amounts of carbon quantum dots synthesized from Cynara Scolymus (artichoke leaves, arti-CQDs) were prepared by solvent casting. The UV shielding properties were highly improved, the hydrophobicity was increased and equilibrium swelling ratio was decreased in FUR/CMC/arti-CQD films depending on the amount of polycrystalline structured arti-CQD. The Young’s modulus decreased, and more flexible films were obtained. The FUR/CMC/arti-CQD films displayed excellent antioxidant properties and antibacterial activity towards Gram-positive (S. aureus and L.monocytogenes) and Gram-negative (E.coli) bacteria depending on arti-CQD amount. The antibacterial FUR/CMC/arti-CQD films were non-toxic towards L 929 mouse fibroblasts. It is concluded that FUR/CMC/arti-CQD films have notable potential as bioactive, sustainable, and renewable materials.

Furcellaran (FUR)是从红藻中提取的一种具有优良成膜能力的多糖。同时,羧甲基纤维素(CMC)是一种由纤维素衍生而来的聚合物,具有无过敏原、抗断裂等优良特性。混合这两种互补聚合物有助于制备性能更好的可持续材料,并满足可持续发展目标(SDGs)的支柱。另一方面,缺乏抗氧化和抗菌能力将限制这些材料在生物医学应用和包装等几个领域的潜在使用。本文以洋蓟叶为原料,采用溶剂铸造法制备了含有不同量碳量子点的FUR/CMC薄膜。随着多晶结构artic - cqd的加入量的增加,FUR/CMC/ artic - cqd膜的紫外屏蔽性能得到了显著提高,疏水性提高,平衡溶胀率降低。杨氏模量降低,得到了更柔韧的薄膜。FUR/CMC/art - cqd薄膜对革兰氏阳性菌(金黄色葡萄球菌和单核增生李斯特菌)和革兰氏阴性菌(大肠杆菌)的抗氧化性能和抗菌活性取决于art - cqd的含量。抗菌FUR/CMC/art - cqd膜对l929小鼠成纤维细胞无毒。因此,FUR/CMC/art - cqd薄膜作为生物活性、可持续和可再生材料具有显著的潜力。
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引用次数: 0
Electrospun Fibers for Colorimetric Detection of Volatile Organic Compounds via Polyfluorene–Quinoxaline Copolymer Photoproperties Change 聚芴-喹啉共聚物电纺丝纤维比色法检测挥发性有机化合物光性变化
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-08-03 DOI: 10.1007/s11814-026-00795-z
Jiyoung Boo, Jaedoo Nam, Seongwan Bae, Jae Yong Lee, Jinho Choi, Dong Hyuk Park, Jongho Kim

We report a volatile organic compound (VOC) sensing platform based on electrospun nanofibers of a single-component PFO–quinoxaline donor–acceptor copolymer, in which donor and acceptor units are covalently integrated within one conjugated chain. Unlike multicomponent systems governed by intermolecular geometry, this design enables VOC-responsive modulation of intrinsically defined excited-state energy flow and charge-transfer photophysics. By tuning the PFO/QX composition, the copolymer showed systematic changes in emission color and lifetime, reflecting composition-dependent donor-to-acceptor interactions. When processed into nanoporous electrospun nanofibers, these chain-level photophysical responses became strongly amplified by enhanced analyte accessibility and nonequilibrium chain packing. In particular, the 95:5 composition exhibited distinct blue-to-green emission changes, red-shifted photoluminescence, and shortened fluorescence lifetimes upon exposure to chloroform and tetrahydrofuran vapors, whereas spin-coated films showed only minor responses. These results show that VOCs can directly perturb the photophysical balance within a molecularly integrated donor–acceptor copolymer and demonstrate a simple strategy for visually readable optical gas sensing based on single-chain electronic structure and nanofiber morphology.

我们报道了一种基于静电纺丝纳米纤维的挥发性有机化合物(VOC)传感平台,该平台是一种单组分pfo -喹啉给体-受体共聚物,其中给体和受体单元共价集成在一个共轭链中。与由分子间几何结构控制的多组分系统不同,该设计使voco响应调制具有内在定义的激发态能量流和电荷转移光物理。通过调整PFO/QX的组成,共聚物显示出发射颜色和寿命的系统性变化,反映了组分依赖的供体-受体相互作用。当加工成纳米多孔电纺丝纳米纤维时,这些链级光物理反应被增强的分析物可及性和非平衡链填充强烈放大。特别是,95:5的组合物在暴露于氯仿和四氢呋喃蒸气时表现出明显的蓝绿发射变化、红移光致发光和缩短的荧光寿命,而自旋涂覆的薄膜只表现出轻微的响应。这些结果表明,挥发性有机化合物可以直接扰乱分子集成供体-受体共聚物内的光物理平衡,并展示了一种基于单链电子结构和纳米纤维形态的视觉可读光学气体传感的简单策略。
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引用次数: 0
Ultrasonic Energy Transfer Optimization in Sludge Dewatering: Volume-Dependent Tuning of Ultrasonic Duration and Intensity for Enhanced Cavitation Efficiency 污泥脱水中的超声能量传递优化:超声持续时间和强度的体积依赖调节以提高空化效率
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-07-28 DOI: 10.1007/s11814-026-00792-2
Jianhao Chen, Yongzheng Qi, Junhao Zhang, Qingquan Bian, Silin Wu, Liyan Wang

High water content in sludge has consistently posed a significant challenge in sludge treatment processes. As an effective approach for sludge dewatering, ultrasound treatment induces cavitation effects, mechanical vibration, and thermal effects to rapidly disrupt sludge floc structures and release bound water, with sonication energy density and ultrasonic duration serving as key control parameters that ultimately determine dewatering efficiency. This study identified the optimal sonication energy densities and ultrasonic durations for sludge volumes of 500 ml, 750 ml, 1000 ml, 1250 ml, and 1500 ml as 0.161 W/ml, 0.165 W/ml, 0.171 W/ml, 0.177 W/ml, 0.180 W/ml and 31s, 33s, 34s, 37s, 41s, respectively. Comprehensive analyses including WC, SRF, viscosity, particle size distribution, SEM, FTIR, and NMR were conducted on sludge samples of different volumes under these optimal ultrasonic conditions. The results demonstrated that while ultrasound treatment significantly reduced WC compared to raw sludge across all volumes, the degree of reduction varied with sludge volume. As sludge volume increased, the required ultrasonic intensity and duration increased accordingly, with the improvement in water reduction showing an initial enhancement followed by a gradual decline. The study established optimal sonication energy densities and durations for different sludge volumes, investigated the variations in WC and specific resistance to filtration under optimal ultrasonic conditions, examined the relationship between sonication energy density, ultrasonic duration, and sludge volume, and provided mechanistic insights through microscopic and spectroscopic analyses. These findings offer valuable guidance for industrial-scale sludge treatment by identifying appropriate ultrasonic conditions to enhance sludge reduction efficiency for large-volume applications.

污泥中高含水量一直是污泥处理过程中面临的重大挑战。超声处理是污泥脱水的有效途径,超声处理引起空化效应、机械振动和热效应,迅速破坏污泥絮体结构,释放束缚水,超声能量密度和超声持续时间是最终决定污泥脱水效率的关键控制参数。本研究确定污泥容积为500 ml、750 ml、1000 ml、1250 ml和1500 ml时的最佳超声能量密度和超声持续时间分别为0.161 W/ml、0.165 W/ml、0.171 W/ml、0.177 W/ml、0.180 W/ml和31s、33s、34s、37s、41s。在最佳超声条件下,对不同体积污泥样品进行WC、SRF、粘度、粒度分布、SEM、FTIR、NMR等综合分析。结果表明,虽然超声波处理显著减少了所有体积的原始污泥的用水量,但减少的程度随污泥体积而变化。随着污泥体积的增加,所需超声强度和持续时间也相应增加,减水量的改善呈现先增强后逐渐下降的趋势。本研究建立了不同污泥体积下的最佳超声能量密度和持续时间,研究了最佳超声条件下WC和过滤比阻力的变化,研究了超声能量密度、超声持续时间和污泥体积之间的关系,并通过微观和光谱分析提供了机理见解。这些发现为工业规模的污泥处理提供了有价值的指导,通过确定适当的超声条件来提高污泥减量效率。
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引用次数: 0
Fluorinated Two-Dimensional Carbon Sheets with LiF-Rich Interfaces for High-Performance Lithium-Ion Battery Anodes 高性能锂离子电池阳极用富liff界面氟化二维碳片
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-07-28 DOI: 10.1007/s11814-026-00788-y
Eunseon Chae, Seoyeong Cheon, In Woo Lee, Sangyeop Lee, Seongjae Myeong, Bo Kyoung Kim, Tae-Sung Bae, Young-Seak Lee

Graphite anodes have limited current density performance, which restricts their application in fast-charging lithium-ion batteries (LIBs). In this study, fluorinated pitch-derived carbon sheets (FPCS) were synthesized from petroleum pitch using a NaCl template followed by NF3 plasma treatment. The NaCl template process generated thin, two-dimensional (2D) carbon sheets with wide interlayer spacing, shortening the diffusion path for lithium-ions. Subsequent NF3 plasma treatment introduced fluorine functional groups, forming semi-ionic C–F bonds, which promoted the formation of a LiF-rich solid electrolyte interphase, enhancing interfacial stability and ion transport. As a result, the FPCS exhibited a capacity of 210 mAh/g at 5 A/g, representing a 37% increase over the raw sample. Furthermore, it demonstrated excellent cycling stability, maintaining a capacity of 190 mAh/g, even after 250 cycles at a current density of 1 A/g. These results demonstrate that the synergistic effect of template-assisted 2D structure and plasma fluorination enhances ion transport and interfacial stability, presenting a practical strategy for high-rate LIBs.

石墨阳极的电流密度性能有限,限制了其在快速充电锂离子电池(LIBs)中的应用。本研究以石油沥青为原料,采用NaCl模板和NF3等离子体处理合成了氟化沥青衍生碳片(FPCS)。NaCl模板工艺生成了层间距较宽的薄二维(2D)碳片,缩短了锂离子的扩散路径。随后的NF3等离子体处理引入了氟官能团,形成半离子型C-F键,促进了富liff固体电解质界面相的形成,增强了界面稳定性和离子传输。结果,FPCS在5 a /g时显示出210 mAh/g的容量,比原始样品增加了37%。此外,它还表现出了出色的循环稳定性,即使在电流密度为1 a /g的250次循环后,也能保持190 mAh/g的容量。这些结果表明,模板辅助二维结构和血浆氟化的协同效应增强了离子传输和界面稳定性,为高速率lib提供了一种实用的策略。
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引用次数: 0
β-Cyclodextrin-Functionalized MGO-g-GMA Copolymer for the Adsorptive Removal of Anticancer Drugs from Aqueous Solutions β-环糊精功能化MGO-g-GMA共聚物对水溶液中抗癌药物的吸附去除
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-07-28 DOI: 10.1007/s11814-026-00794-0
Mehdi Pourbagheri, Mehdi Faramarzi, Farzaneh Abbasi-Sourki, Amir Mansourizadeh

A novel adsorptive removal system (ARS) based on a graft copolymer was developed for the efficient elimination of anticancer drugs from aqueous solutions. The copolymer (MGO-g-GMA) was synthesized via free-radical polymerization of glycidyl methacrylate (GMA) onto magnetic graphene oxide (MGO) using 3-(trimethoxysilyl)-1-propanethiol as a chain-transfer agent and 2,2′-azobisisobutyronitrile as the initiator. To enhance the adsorption performance, β-cyclodextrin was covalently immobilized through an epoxy ring-opening reaction, forming a host–guest functional architecture. Gemcitabine was selected as the model drug, and the adsorption process was optimized using response surface methodology based on a Box–Behnken design. Under optimal conditions (adsorbent dosage: 0.0197 g, pH 6.57, temperature: 25.40 °C, contact time: 7.22 min), a maximum adsorption capacity of 844.51 mg g⁻¹ was achieved at an initial concentration of 1000 mg L− 1. Thermodynamic and isotherm analyses revealed a spontaneous, exothermic, and predominantly monolayer adsorption process governed by physical interactions, whereas mass transfer analysis identified intraparticle diffusion as the main rate-limiting step. The ARS exhibited excellent reusability, retaining approximately 90% and 75% of its initial efficiency after six and ten cycles, respectively. The application of the adsorbent to real hospital wastewater resulted in 94.2% gemcitabine removal and an 87% reduction in total dissolved solids, confirming its effectiveness in complex matrixes. Cytotoxicity assays on L-929 fibroblast cells demonstrated negligible toxicity and high biocompatibility of ARS. Overall, the developed ARS is a highly efficient, magnetically separable, reusable, and biocompatible adsorbent with a strong potential for the removal of anticancer drugs from aqueous solutions.

研究了一种基于接枝共聚物的新型吸附去除体系(ARS),可有效去除水溶液中的抗癌药物。以3-(三甲氧基硅基)-1-丙硫醇为链转移剂,2,2′-偶氮二异丁腈为引发剂,甲基丙烯酸甘油酯(GMA)在磁性氧化石墨烯(MGO)上自由基聚合合成共聚物(MGO-g-GMA)。为了提高吸附性能,通过环氧开环反应将β-环糊精共价固定,形成主客体功能结构。选择吉西他滨作为模型药物,基于Box-Behnken设计,采用响应面法优化吸附工艺。在最佳条件下(吸附剂用量为0.0197 g, pH为6.57,温度为25.40℃,接触时间为7.22 min),初始浓度为1000 mg L−1时,吸附量最大可达844.51 mg g⁻1。热力学和等温线分析揭示了一个自发的、放热的、主要由物理相互作用控制的单层吸附过程,而传质分析确定了颗粒内扩散是主要的限速步骤。ARS表现出优异的可重复使用性,在6次和10次循环后分别保持了大约90%和75%的初始效率。将该吸附剂应用于实际医院废水,吉西他滨去除率达94.2%,总溶解固体减少87%,证实了其在复杂基质中的有效性。对L-929成纤维细胞的细胞毒性试验表明,ARS的毒性可忽略不计,具有较高的生物相容性。总的来说,开发的ARS是一种高效、可磁分离、可重复使用和生物相容性的吸附剂,具有从水溶液中去除抗癌药物的强大潜力。
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引用次数: 0
Sustainable Fire Suppression: A Techno-Economic Assessment of Gas-Hydrate-Based Agents 可持续灭火:天然气水合物基药剂的技术经济评价
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-07-22 DOI: 10.1007/s11814-026-00783-3
Ji Min Seo, Seong Deok Seo, Ju Dong Lee, Kyungtae Park

The accessibility of conventional fire suppression equipment is limited in specialized environments such as high-rise buildings and underground facilities. Although gas-hydrate-based suppressants offer potential advantages through their compact design and effective dispersion, systematic techno-economic and environmental evaluations remain limited. In this study, the techno-economic performances of CO2, HFC-125, and HFC-23 hydrate-based fire suppression systems were analyzed using an Aspen Plus V14 process simulation. An integrated assessment combining production and environmental costs, as well as specific energy consumption (SEC), was conducted to evaluate their practical viability against conventional suppressants. In particular, CO2 hydrate-based fire suppression demonstrated the most favorable economics, with production and suppression costs of $0.52/kg and $0.6/m3, respectively, rendering it competitive among conventional suppressants. The HFC-125 hydrate achieved the highest energy efficiency (SEC = 0.008 kWh/kg) and superior fire suppression performance; however, its production cost ($1.36/kg) limits current competitiveness. Moreover, the HFC-23 hydrate showed limited economic viability. This study provides a systematic techno-economic assessment framework that integrates economic viability, energy efficiency, and environmental impact. Consequently, the developed framework establishes comprehensive evaluation criteria for hydrate-based fire suppressants related to conventional suppression systems.

在高层建筑和地下设施等特殊环境中,常规灭火设备的可及性受到限制。尽管基于天然气水合物的抑制剂具有紧凑的设计和有效的分散性,具有潜在的优势,但系统的技术经济和环境评价仍然有限。本研究利用Aspen Plus V14过程模拟分析了CO2、HFC-125和HFC-23水合灭火系统的技术经济性能。结合生产成本、环境成本以及比能耗(SEC)进行综合评估,以评估其对抗常规抑制剂的实际可行性。特别是,二氧化碳水合物灭火表现出最有利的经济效益,生产和灭火成本分别为0.52美元/kg和0.6美元/m3,使其在传统灭火剂中具有竞争力。HFC-125水合物具有最高的能源效率(SEC = 0.008 kWh/kg)和优异的灭火性能;然而,其生产成本(1.36美元/公斤)限制了目前的竞争力。此外,HFC-23水合物的经济可行性有限。本研究提供了一个整合经济可行性、能源效率和环境影响的系统技术经济评估框架。因此,开发的框架建立了与常规灭火系统相关的水合基灭火剂的综合评价标准。
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引用次数: 0
Effect of Mixing Methods and Binder Systems on the Electrochemical Performance of NMP-Free Lithium-Ion Battery Cathodes 混合方式和粘结剂体系对无nmp锂离子电池阴极电化学性能的影响
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-07-22 DOI: 10.1007/s11814-026-00762-8
Seongbin Kang, Jueun Kim, Mihee Park, Minjoon Park

In conventional lithium-ion battery (LIB) manufacturing, N-methyl-2-pyrrolidone (NMP) is commonly used as a solvent for slurry-based cathode fabrication, despite its high cost and environmental burden. To overcome these limitations, NMP-free electrode fabrication strategies have been proposed as practical alternatives. In this study, NMP-free electrodes were fabricated using three different mixing methods and two binder systems, including powder-based processing and a solvent-assisted PTFE fibrillation approach employing low-toxicity volatile solvents. The electrochemical performance of the electrodes was evaluated through galvanostatic charge–discharge testing and differential capacity (dQ/dV) analysis. The solvent-assisted PTFE-based electrode exhibited reduced surface roughness, low irreversible capacity, and stable cycling behavior, whereas powder-based electrodes showed increased irreversible capacity and accelerated degradation. Differential capacity analysis revealed that in NMP-free electrode systems, the electrode morphology is governed by the combined effects of mixing strategy, binder system, and fabrication process, which together influence interfacial stability and electrochemical behavior. These results demonstrated that mixing strategy and binder behavior played critical roles in determining the performance of NMP-free electrodes, providing practical insights for cost-effective and high-areal-capacity LIB fabrication.

在传统的锂离子电池(LIB)制造中,n -甲基-2-吡罗烷酮(NMP)通常用作浆料基阴极制造的溶剂,尽管其成本高且环境负担重。为了克服这些限制,人们提出了无纳米颗粒电极制造策略作为实用的替代方案。在这项研究中,使用三种不同的混合方法和两种粘合剂系统制造无纳米粒子电极,包括粉末基加工和溶剂辅助PTFE纤颤方法,采用低毒性挥发性溶剂。通过恒流充放电测试和差分容量(dQ/dV)分析来评价电极的电化学性能。溶剂辅助聚四氟乙烯基电极表面粗糙度降低,不可逆容量低,循环行为稳定,而粉末基电极不可逆容量增加,降解加速。差异容量分析表明,在无nmp电极体系中,电极形态受混合策略、粘结剂体系和制备工艺的综合影响,这些因素共同影响界面稳定性和电化学行为。这些结果表明,混合策略和粘结剂行为在决定无nmp电极的性能方面发挥了关键作用,为成本效益和高面积容量的LIB制造提供了实用的见解。
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引用次数: 0
Efficient Hydrogenation Catalysis over Ru Nanoparticles: Investigating the Support Effects of Ultrasonic Spray Pyrolysis–Derived Al2O3, TiO2, ZrO2, and SiO2 Ru纳米粒子的高效加氢催化:超声波喷雾热解衍生的Al2O3, TiO2, ZrO2和SiO2的负载效应研究
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-07-22 DOI: 10.1007/s11814-026-00775-3
Toan Minh Pham, Jeonghun Han, Hyeonjung Kim, Jonghee Han, Jinsoo Kim

Liquid organic hydrogen carriers (LOHCs) have emerged as promising media for hydrogen storage and transport owing to their high hydrogen content and compatibility with existing infrastructure. However, the catalytic efficiency of Ru-based catalysts in LOHC hydrogenation is strongly influenced by the properties of their support materials, which remain insufficiently explored. In this study, Ru nanoparticles were supported on four different metal oxides (Al2O3, TiO2, ZrO2, and SiO2) synthesized via a combined sol–gel and ultrasonic spray pyrolysis (USP) process, providing continuous processes amenable to large-scale production. The resulting metal oxide supports exhibited diverse physicochemical characteristics, including variations in surface area, surface hydroxyl group concentration, and metal–support interaction strength. The Ru-supported catalysts were systematically evaluated for the hydrogenation of monobenzyl toluene (MBT), a model LOHC compound. Catalytic activity followed the trend: Ru/Al2O3 > Ru/TiO2 > Ru/SiO2 > Ru/ZrO2. The findings reveal that MBT hydrogenation performance is governed by the synergistic interplay of multiple support characteristics rather than any single factor. This work provides an informative direction for the rational design of high-performance LOHC hydrogenation catalysts.

液态有机氢载体(lohc)由于其高氢含量和与现有基础设施的兼容性而成为有前途的氢储存和运输介质。然而,钌基催化剂在LOHC加氢中的催化效率受到其载体材料性质的强烈影响,这方面的研究还不够充分。在本研究中,Ru纳米颗粒通过溶胶-凝胶和超声波喷雾热解(USP)联合工艺合成了四种不同的金属氧化物(Al2O3, TiO2, ZrO2和SiO2),提供了适合大规模生产的连续工艺。所得到的金属氧化物载体表现出不同的物理化学特征,包括表面积、表面羟基浓度和金属-载体相互作用强度的变化。系统评价了钌负载催化剂对一苯甲苯(MBT)加氢反应的影响。催化活性依次为Ru/Al2O3 >; Ru/TiO2 > Ru/SiO2 > Ru/ZrO2。研究结果表明,MBT的加氢性能是由多种载体特征的协同作用决定的,而不是由任何单一因素决定的。本研究为合理设计高性能LOHC加氢催化剂提供了参考依据。
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引用次数: 0
A CFD-Informed Surrogate Modelling Framework Linking Spacer-Scale Simulations to Process-Scale Reverse Osmosis Modelling 连接间隔尺度模拟和过程尺度反渗透模拟的cfd知情代理建模框架
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-07-22 DOI: 10.1007/s11814-026-00782-4
Yu-hyeok Jeong, Boram Gu

The global water shortage has increased the importance of seawater desalination technologies, with reverse osmosis (RO) emerging as the most widely used process. However, the performance of RO membrane modules is significantly influenced by the trade-off between concentration polarisation and pressure drop, both of which are strongly affected by the geometry and arrangement of spacers. In this study, a computational fluid dynamics (CFD)-based surrogate model was developed to quantitatively capture the influence of spacer geometry on RO performance and subsequently integrated into module- and process-level simulations. Process-level economic optimisation was performed as a demonstration of the proposed framework. Water and salt fluxes at the membrane surface, as well as the pressure drop, were obtained from three-dimensional CFD simulations at the unit-cell level. These results were generalised into regression-based surrogate models and integrated with process models at the module and stage levels. Subsequently, optimal operating conditions were determined to minimise freshwater cost. The analysis showed that freshwater cost converged within a narrow range of approximately 0.62–0.63 $/m3, depending on the spacer geometry, while the resulting process configurations varied significantly (e.g., total module counts ranging from 1,981 to 2,193). Through this framework, spacer effects can be explicitly incorporated into process-level models, where they are typically treated as fixed constants (e.g., mass transfer coefficients and friction factors) in simplified mathematical models.

全球水资源短缺增加了海水淡化技术的重要性,反渗透(RO)成为应用最广泛的技术。然而,反渗透膜组件的性能受到浓度极化和压降之间的权衡的显著影响,这两者都受到间隔器的几何形状和排列的强烈影响。在本研究中,开发了基于计算流体动力学(CFD)的代理模型,以定量捕获间隔器几何形状对RO性能的影响,并随后将其集成到模块和过程级模拟中。过程级的经济优化被执行作为提议的框架的演示。在单元水平上,通过三维CFD模拟获得了膜表面的水和盐通量以及压降。这些结果被推广到基于回归的代理模型中,并与模块和阶段级别的过程模型集成。随后,确定了最佳操作条件,以最大限度地降低淡水成本。分析表明,淡水成本在大约0.62-0.63美元/立方米的狭窄范围内集中,这取决于隔离器的几何形状,而最终的工艺配置差异很大(例如,总模块数量从1,981到2,193)。通过这个框架,间隔效应可以明确地纳入过程级模型,在简化的数学模型中,它们通常被视为固定常数(例如,传质系数和摩擦系数)。
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引用次数: 0
Effect of Radical Scavenging Extender on the Chemical Stability of Anion Exchange Membrane Under Alkaline Conditions 碱性条件下自由基清除扩展剂对阴离子交换膜化学稳定性的影响
IF 3.4 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-07-22 DOI: 10.1007/s11814-026-00786-0
Ara Cho, Min Suc Cha, Seung Won Baek, Se In Park, Jeong Bang Ko, Dae Hwan Shin, Dong-Chan Kim, Sungjun Kim, Jang Yong Lee

A radical-scavenging extender is investigated as a novel strategy for improving the chemical stability of anion exchange membranes (AEMs). Unlike typical alkyl chain extenders used in AEMs, the bulky piperidine derivative 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO), which possesses a redox-active core structure, improved the chemical stability of AEMs by serving as both a radical scavenger and a chain extender. Reactive oxygen species (ROS), such as hydroxyl and superoxide radicals (∙OH and ∙O2–), which contribute to AEM degradation, were efficiently scavenged through the reversible TEMPO/TEMPO+ redox cycle. Simultaneously, the bulky TEMPO moiety also increased steric hindrance around the quaternary ammonium groups, thereby suppressing hydroxide-induced SN2 degradation by hindering nucleophilic attack of hydroxide ions on the α-carbon adjacent to the ammonium group. As a result, the QPPO-35-TEMPO membrane exhibited much greater chemical stability than QPPO-25-TMA, QPPO-30-DMHA, and QPPO-35-DATMP, confirming the effectiveness of the radical-scavenging-extender concept. QPPO-35-TEMPO retained its ionic conductivity after 500 h in 1 M KOH at 80 °C and achieved a current density of 3.69 A cm–2 at 2.0 V in alkaline water electrolysis and a peak power density of 0.49 W cm–2 in fuel cells. When applied as an anode ionomer, QPPO-35-TEMPO further improved the electrode performance. This work establishes the radical-scavenging-extender concept as a promising molecular design strategy for developing chemically durable and high-performance AEMs for alkaline electrochemical energy technologies.

研究了自由基清除扩展剂作为提高阴离子交换膜(AEMs)化学稳定性的新策略。与AEMs中使用的典型烷基扩链剂不同,大体积的胡椒啶衍生物2,2,6,6-四甲基胡椒啶-1-氧(TEMPO)具有氧化还原活性的核心结构,可以同时作为自由基清除剂和扩链剂,提高AEMs的化学稳定性。有助于AEM降解的活性氧(ROS),如羟基和超氧自由基(∙OH和∙O2 -),通过可逆的TEMPO/TEMPO+氧化还原循环被有效清除。同时,庞大的TEMPO片段也增加了季铵基周围的位阻,从而通过阻止氢氧根离子对邻近季铵基的α-碳的亲核攻击来抑制氢氧根诱导的SN2降解。结果表明,与QPPO-25-TMA、QPPO-30-DMHA和QPPO-35-DATMP相比,QPPO-35-TEMPO膜具有更高的化学稳定性,证实了自由基清除-扩展剂概念的有效性。QPPO-35-TEMPO在80℃条件下,在1 M KOH条件下作用500 h后仍保持离子电导率,在2.0 V条件下碱性电解电流密度为3.69 a cm-2,在燃料电池中峰值功率密度为0.49 W cm-2。作为阳极离聚物,QPPO-35-TEMPO进一步提高了电极性能。这项工作确立了自由基清除-扩展剂概念作为一种有前途的分子设计策略,用于开发化学耐用和高性能的碱性电化学能源技术的AEMs。
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Korean Journal of Chemical Engineering
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