Chemical Engineering Journal Advances最新文献_第2页

Tailoring Mg-0.5B and Mg-0.5B-5Sn alloys for hallux valgus implants: Cytocompatibility, inflammatory response, antimicrobial, and mechanical durability 定制用于拇外翻植入物的Mg-0.5B和Mg-0.5B- 5sn合金：细胞相容性，炎症反应，抗菌和机械耐久性

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2026-01-02 DOI: 10.1016/j.ceja.2025.101022

Prawin Babu L, Radha R

Hallux valgus (HV) is a common orthopedic condition characterized by a deformity of the first toe, and it is more prevalent in women. It results from progressive valgus subluxation of the metatarsophalangeal (MTP) joint and varus deviation of the first metatarsal, leading to pain, discomfort, and increased fracture risk. Surgical correction often requires implants with optimal mechanical, corrosion, and biological properties. This study evaluates two novel magnesium alloys, Mg-0.5B and Mg-0.5B-5Sn, for HV treatment. Boron enhances strength and bioactivity, whereas tin improves corrosion resistance and Antimicrobial properties. Biological tests revealed moderate cytotoxicity in Mg-0.5B, while Mg-0.5B-5Sn showed concentration-dependent cytotoxicity typical of Mg alloys, with acceptable viability at physiologically relevant extract levels but improved Antimicrobial activity. Anti-inflammatory evaluation showed that Mg-0.5B strongly suppressed TNF-α expression, while Mg-0.5B-5Sn additionally inhibited COX-II and LOX enzymatic pathways. Corrosion analysis revealed rapid degradation of Mg-0.5B, while Mg-0.5B-5Sn formed a protective surface layer, enhancing durability. Corrosion behavior was quantified using potentiodynamic polarization, Potentiodynamic analysis revealed an extremely high corrosion rate for Mg-0.5B (468.1 mm/year), whereas Mg-0.5B-5Sn showed a drastically reduced rate of 7.47 mm/year due to Sn-induced suppression of anodic dissolution and stabilization of the surface film. Mechanical tests showed higher compressive strength for Mg-0.5B, but immersion tests revealed increased strain in Mg-0.5B-5Sn over 14 days as a result of material softening. Wear testing under walking and jogging conditions demonstrated superior wear resistance in Mg-0.5B-5Sn, attributed to its refined microstructure and intermetallic phases. Overall, Mg-0.5B-5Sn shows strong potential as a biodegradable orthopedic implant material for HV correction, effectively balancing biocompatibility, mechanical integrity, and corrosion and wear resistance.

拇外翻（HV）是一种常见的骨科疾病，以第一趾畸形为特征，在女性中更为普遍。它是由跖趾（MTP）关节进行性外翻半脱位和第一跖骨内翻偏曲引起的，导致疼痛、不适和骨折风险增加。外科矫正通常要求植入物具有最佳的机械、腐蚀和生物特性。本研究评价了两种用于HV处理的新型镁合金Mg-0.5B和Mg-0.5B- 5sn。硼提高强度和生物活性，而锡提高耐腐蚀性和抗菌性能。生物学试验显示Mg-0.5 b具有中等的细胞毒性，而Mg-0.5 b - 5sn具有Mg合金典型的浓度依赖性细胞毒性，在生理相关提取物水平下具有可接受的活力，但抗菌活性有所提高。抗炎评价显示Mg-0.5B强烈抑制TNF-α表达，而Mg-0.5B- 5sn还抑制COX-II和LOX酶促通路。腐蚀分析表明，Mg-0.5B快速降解，而Mg-0.5B- 5sn形成保护表面层，增强了耐久性。用动电位极化法对腐蚀行为进行了量化，动电位分析表明，Mg-0.5B的腐蚀速率极高（468.1 mm/年），而Mg-0.5B- 5sn的腐蚀速率急剧降低，为7.47 mm/年，这是由于sn抑制了表面膜的阳极溶解和稳定。力学试验表明Mg-0.5B的抗压强度更高，但浸没试验表明，由于材料软化，Mg-0.5B- 5sn的应变在14天内增加。步行和慢跑条件下的磨损测试表明，Mg-0.5B-5Sn具有优异的耐磨性，这是由于其精细的组织和金属间相。综上所述，Mg-0.5B-5Sn作为一种生物可降解的HV矫正矫形植入材料具有很强的潜力，可以有效地平衡生物相容性、机械完整性和耐腐蚀耐磨性能。

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引用次数: 0

Scale-up of an additively manufactured reactor concept for catalytic methanation with in-situ tar co-reforming of biogenic syngas 生物合成气原位焦油共重整催化甲烷化增材反应器概念的放大

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2026-01-01 DOI: 10.1016/j.ceja.2025.101027

Jakob Müller, Alexander Feldner, Christian Wondra, Simon Markthaler, Peter Treiber, Jürgen Karl

The market introduction of renewable methane is hindered by the high production cost of green SNG. One of the major cost factors is the extensive gas cleaning necessary for the methanation of biogenic syngas. A scaled-up version of a 3D-printed reactor system is proposed in order to reduce such gas cleaning costs. The ADDmeth reactor system can operate tolerating the use of tar-laden syngas, as it is specifically designed to reform tar components in-situ within the reactor. A scale-up of the reactor concept is realized by running several of the triangular reactor cells in parallel. The 15 kW reactor ADDmeth4 consists of three ADDmeth3 reactor cells, that are adapted and optimized for the scale-up. The new reactor design aims at a more efficient use of the space within the reactor. A new improved steam generator design is used to overcome limitations in cooling. The structural stability is validated using finite elements analysis with a resulting minimum safety factor of 4.43. In ADDmeth4 experiments the total tar content of the syngas was reduced by 95 % in a part load setting at 5 kW. However, this reduction potential decreases at full load. Residual tar is likely removed in the condensation step. The transient behavior of the reactor’s scale-up approach allows for a use of the reactor in fluctuating operating modes. The reactor concept can also be used in Power-to-Gas or biogas upgrading scenarios, reaching a high methane yield in just one step. The results indicate that the reactor scale-up will increase its performance. Both the temperature profile and efficiency improve, the latter due to the decrease in outer surface area through which potential losses occur.

绿色煤制天然气的高生产成本阻碍了可再生甲烷的市场引入。其中一个主要的成本因素是生物合成气甲烷化所需的大量气体清洗。为了降低这种气体清洗成本，提出了一种3d打印反应堆系统的放大版本。ADDmeth反应器系统可以耐受含焦油合成气，因为它是专门设计用于在反应器内原位改造焦油成分的。反应器概念的放大是通过并联运行几个三角形反应器单元来实现的。15kw反应器ADDmeth4由三个ADDmeth3反应器单元组成，这些单元经过了调整和优化，以适应规模扩大。新的反应堆设计旨在更有效地利用反应堆内的空间。为了克服冷却方面的限制，采用了一种新的改进蒸汽发生器设计。通过有限元分析验证了结构的稳定性，得到的最小安全系数为4.43。在ADDmeth4实验中，在5kw的部分负荷设置下，合成气的总焦油含量降低了95%。然而，这种减少潜力在满载时减少。残余焦油可能在冷凝步骤中被清除。反应器放大方法的瞬态特性允许在波动的操作模式下使用反应器。反应器概念也可用于电力制气或沼气升级方案，只需一步即可达到高甲烷产量。结果表明，反应器的放大将提高其性能。温度分布和效率都提高了，后者是由于潜在损耗发生的外表面面积减少。

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引用次数: 0

Green pretreatment strategies for enhanced microbial lipid fermentation and synergistic high-quality lignin recovery for next-generation integrated biorefineries 下一代集成生物精炼厂中强化微生物脂质发酵和协同高质量木质素回收的绿色预处理策略

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2026-01-01 DOI: 10.1016/j.ceja.2025.101031

Tirath Raj , Poonam Sharma , Stephanie Thompson , Bruce S Dien , Vijay Singh

Miscanthus × giganteus (Mxg) is a warm-season perennial grass being commercialized as a biomass feedstock for temperate farms. Three process strategies were compared for converting Mxg into single-cell oil and extracted lignin intermediates, as hydrothermal (HT) processing and two natural deep eutectic solvents (NADES), ChCl:LA (choline chloride:lactic acid) and ChCl:Gly (choline chloride:glycerol). Pretreatments were performed at 10% and 50% solids loading at 140 °C, 2 h; HT: 190 °C, 10 min. Enzymatic hydrolysates, generated at 10% solids using washed and unwashed biomass, were evaluated for microbial lipid production. Maximum glucose conversions from washed biomass reached 83.5% (ChCl:LA), 52.7% (ChCl:Gly), and 74.0% (HT). Remarkably, NADES-derived hydrolysates effectively replaced refined sugars for the cultivation of the oleaginous yeast Rhodotorula toruloides, achieving ∼51% higher biomass (OD 90.7) and lipid titers of 19.36 g/L within 45 h using a two-stage fermentation strategy. Lipid contents ranged from 34.5–44.5% dry weight, demonstrating reduced reliance on purified sugars. Beyond carbohydrate valorization, ChCl:LA pretreatment enabled high-purity lignin recovery (>89%) in a lignin-first strategy. Structural analyses (2D-HSQC and ³¹P NMR) showed syringyl (78.15%), guaiacyl (15.15%), and p-hydroxyphenyl (6.41%) units, with higher phenolic hydroxyl content (0.91 mmol/g) and a lower S/G ratio (0.19) than HT lignin (0.87 mmol/g, S/G 0.22). These attributes favor downstream lignin depolymerization into low-molecular-weight aromatics. Overall, NADES pretreatment simultaneously enhances microbial lipid yields and recovers high-quality lignin, advancing the economic feasibility of renewable diesel and sustainable aviation fuel (SAF) production from bioenergy crops within an integrated biorefinery framework.

芒草（Miscanthus × giganteus, Mxg）是一种暖季多年生草，作为温带农场的生物质原料被商业化。采用水热法（HT）和两种天然深共晶溶剂（NADES）， ChCl:LA（氯化胆碱：乳酸）和ChCl:Gly（氯化胆碱：甘油），对Mxg转化为单细胞油和提取木质素中间体的工艺策略进行了比较。预处理分别为10%和50%固相，温度为140℃，时间为2 h；高温：190℃，10 min。利用水洗和未水洗的生物质，以10%的固体生成酶解物，对微生物脂质生产进行了评估。水洗生物质的最大葡萄糖转化率分别为83.5% （ChCl:LA）、52.7% （ChCl:Gly）和74.0% （HT）。值得注意的是，nades衍生的水解物有效地取代了精制糖，用于培养产油酵母红酵母，在45小时内，采用两阶段发酵策略，生物量提高了约51% (OD值为90.7)，脂质滴度达到19.36 g/L。脂质含量在干重34.5-44.5%之间，表明对纯化糖的依赖减少。除了碳水化合物增值外，ChCl:LA预处理在木质素优先策略中实现了高纯度的木质素回收（>89%）。结构分析（2D-HSQC和³¹P NMR）显示丁香基（78.15%）、愈创木酰（15.15%）和对羟基苯基（6.41%），其酚羟基含量（0.91 mmol/g）高于HT木质素（0.87 mmol/g, S/ g 0.22）， S/ g比（0.19）较低。这些特性有利于下游木质素解聚成低分子量芳烃。总的来说，NADES预处理同时提高了微生物脂质产量和回收高质量木质素，提高了在集成生物炼制框架内从生物能源作物中生产可再生柴油和可持续航空燃料（SAF）的经济可行性。

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引用次数: 0

Ion-chemistry-enhanced modeling of soot formation in diesel engines: a multi-zone thermodynamic approach with ionic reaction mechanisms 离子化学对柴油发动机烟灰形成的强化建模：一种带有离子反应机制的多区热力学方法

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-31 DOI: 10.1016/j.ceja.2025.101026

Milad Mohammadi , Elaheh Neshat , Alireza Rezaei , Damon Honnery

Soot formation in diesel engines remains a critical challenge due to its adverse environmental and health impacts, necessitating precise predictive models. This study introduces a novel multi-zone thermodynamic model coupled with a semi-detailed ionic chemical kinetics mechanism to elucidate the role of ion chemistry in soot production. The mechanism integrates 22 ionic reactions and 6 non-ionic pathways, explicitly addressing the formation of key ions like HCO⁺ and C₃H₃⁺, which act as precursors to soot nucleation. Validated against experimental data from a Hino W04D diesel engine, the model demonstrates that ionic species—though less abundant than neutral soot—significantly enhance prediction accuracy by capturing intermediate reaction dynamics. Results reveal that HCO⁺ emerges as the primary ion during early combustion, directly influencing soot inception, while C₃H₃⁺ dominates hydrocarbon-ion pathways. The inclusion of ionic reactions reduces soot mass prediction errors by >40 % compared to neutral-only models. Soot mechanism's electron-consuming reactions reduce peak electron production by 55.87 %. This work advances diesel combustion modeling by bridging gaps between ion diagnostics and particulate emissions, offering insights for optimizing engine designs to mitigate soot pollution.

由于对环境和健康的不利影响，柴油发动机中的煤烟形成仍然是一个严峻的挑战，需要精确的预测模型。本文引入了一种新的多区热力学模型，结合半详细的离子化学动力学机制来阐明离子化学在烟灰产生中的作用。该机制集成了22种离子反应和6种非离子途径，明确地解决了HCO⁺和C₃H⁺等关键离子的形成问题，这些离子是烟灰成核的前体。通过日野W04D柴油发动机的实验数据验证，该模型表明，离子种类虽然比中性煤烟少，但通过捕捉中间反应动力学，显著提高了预测精度。结果表明，HCO⁺在燃烧早期作为初级离子出现，直接影响烟灰的生成，而C₃H₃⁺主导碳氢离子路径。与纯中性模型相比，离子反应的加入使烟尘质量预测误差降低了40%。烟灰机制的电子消耗反应使电子峰值产生降低55.87%。这项工作通过弥合离子诊断和颗粒排放之间的差距，促进了柴油燃烧模型的发展，为优化发动机设计提供了见解，以减轻煤烟污染。

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引用次数: 0

Interplay between corneal oxygenation and swelling for scleral lens–a modelling approach 角膜氧合与巩膜晶状体肿胀之间的相互作用-一种建模方法

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-31 DOI: 10.1016/j.ceja.2025.101028

Ahmed Jarboui , Jean-Pierre Mericq , Luc Mezenge , Thierry Thami , Christophe Charmette , Laure Adam , Peter Biermans , Emmanuel Veillard , Denis Bouyer

In this study, a mathematical model was developed that incorporates a coupling between mass transfer and corneal metabolism to predict corneal oxygenation with scleral lenses. The implementation of lens wear was achieved through the use of two distinct 2D geometries, each characterized by a unique central clearance (271 µm and 573 µm, respectively), as measured by means of OCT technology. The variation in tear film (also called tear reservoir) thickness in conjunction with the lens was found to induce a shift in corneal metabolism from the aerobic to the anaerobic pathway. This shift in oxygen transfer rate to the cornea is predicted to result in local corneal swelling. The numerical model demonstrated that enhancing lens permeability leads to an increase in corneal oxygenation; however, this gain is constrained by the tear reservoir's oxygen transfer resistance. Furthermore, with lens decentration, oxygenation exhibited an increase in the upper part of the cornea, while it decreased in the lower part, owing to the tear reservoir thickness variation with lens decentration. However, the oxygen demand and the tear reservoir thickness at the central part of the cornea exhibited only very small variation with decentration.

在这项研究中，我们建立了一个数学模型，结合质量传递和角膜代谢之间的耦合来预测巩膜晶状体角膜氧合。透镜磨损的实现是通过使用两个不同的二维几何形状来实现的，每个几何形状都有一个独特的中心间隙（分别为271µm和573µm），通过OCT技术测量。泪液膜（也称为泪液库）厚度的变化与晶状体一起被发现诱导角膜代谢从有氧途径转变为无氧途径。这种向角膜的氧传递速率的变化预计会导致局部角膜肿胀。数值模型表明，晶状体通透性的增加导致角膜氧合的增加；然而，这种增益受到撕裂储层的氧传递阻力的限制。随着晶状体离体，泪液库厚度随晶状体离体而变化，角膜上半部分氧合增加，下半部分氧合减少。然而，需氧量和泪液库厚度在角膜中央部分只有非常小的变化与分散。

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引用次数: 0

Poly(sodium acrylate-co-acrylamide) hydrogel beads as selective enhancement platforms for biomarker detection in tear fluid 聚（丙烯酸钠-丙烯酰胺）水凝胶珠作为泪液生物标志物检测的选择性增强平台

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-31 DOI: 10.1016/j.ceja.2025.101030

Jilong Li , Mélanie Lecoester , Andras Bartos , Yi Zhang , Corinne Nardin , Gyula Julius Vancso

The concentration of biomarkers in tear fluids was enhanced using poly(sodium acrylate-co-acrylamide) hydrogel beads that were employed for selective enrichment. Swelling behavior studies demonstrated the hydrogel’s water absorption capacity in simulated tear fluid, revealing an initial diffusion-dominated swelling phase followed by relaxation-dominated behavior.

Three proteins, widely recognized as standard tear biomarkers, with distinct surface charges at pH 7.5, including bovine serum albumin (−18.1 mV), immunoglobulin G (−3.6 mV), and lysozyme (+5.3 mV), were selected based on their representative surface charges commonly found in tear fluid. After 24 h of swelling, the hydrogel beads achieved selective recoveries of 121% for bovine serum albumin, 83% for immunoglobulin G, and 6% for lysozyme, as quantified using the bicinchoninic acid (BCA) assay. FT-IR spectroscopy and adsorption kinetics analyses indicated that immunoglobulin G and lysozyme primarily undergo physical adsorption, with lysozyme additionally exhibiting intraparticle diffusion at later stages.

Molecular docking studies revealed that adsorption is predominantly driven by hydrogen bonding and electrostatic interactions between the cationic and polar amino acid residues of the biomarkers and the carboxylate and amide groups of the hydrogel matrix. These findings highlight the strong potential of poly(sodium acrylate-co-acrylamide) hydrogel beads as effective platforms for biomarker enrichment, offering promising applications in tear fluid-based diagnostics.

使用聚（丙烯酸钠-丙烯酰胺）水凝胶珠进行选择性富集，可提高泪液中生物标志物的浓度。膨胀行为研究证明了水凝胶在模拟泪液中的吸水能力，揭示了最初的扩散主导的膨胀阶段，随后是松弛主导的行为。根据泪液中常见的具有代表性的表面电荷，选择了三种被广泛认为是标准泪液生物标志物的蛋白质，包括牛血清白蛋白（- 18.1 mV）、免疫球蛋白G （- 3.6 mV）和溶菌酶（+5.3 mV），它们在pH 7.5下具有不同的表面电荷。肿胀24小时后，水凝胶珠对牛血清白蛋白的选择性回收率为121%，对免疫球蛋白G的选择性回收率为83%，对溶菌酶的选择性回收率为6%。FT-IR光谱和吸附动力学分析表明，免疫球蛋白G和溶菌酶主要进行物理吸附，溶菌酶在后期表现为颗粒内扩散。分子对接研究表明，吸附主要由生物标志物的阳离子和极性氨基酸残基与水凝胶基质的羧酸基和酰胺基之间的氢键和静电相互作用驱动。这些发现突出了聚（丙烯酸钠-共丙烯酰胺）水凝胶珠作为生物标志物富集的有效平台的强大潜力，在基于泪液的诊断中提供了有前途的应用。

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引用次数: 0

Reinforced graphene oxide–acrylamide/sodium acrylamide hydrogel composite-coated meshes for the separation of stabilized oil–surfactant emulsions from greywater 增强氧化石墨烯-丙烯酰胺/丙烯酰胺钠水凝胶复合涂层网，用于从废水中分离稳定的油表面活性剂乳液

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-30 DOI: 10.1016/j.ceja.2025.101020

Weam S.K. Abudaqqa , Jemille Joven , Ali Elkamel , Raja Ghosh , Chandra Mouli R. Madhuranthakam

Kitchen greywater, which is high in fats, oils, and grease (FOG), as well as surfactants, poses a significant environmental threat due to its ability to contaminate water sources and impair wastewater infrastructure. In this study, a reinforced composite hydrogel composed of acrylamide (AM), sodium acrylate (Na-Ac), and graphene oxide (GO) is synthesized via graft polymerization and applied as a coating over stainless-steel meshes with various pore sizes (200, 255, and 405 µm) to treat oil/surfactant/water mixtures. Experiments are conducted with various acrylamide (AM) compositions (50, 55, and 60 wt%) and graphene oxide (GO) loadings (10, 20, and 40 mg) to investigate the influence of composition and mesh size on the separation efficiency. Oil removal efficiency as high as 89% and surfactant removal up to 80% were achieved with the proposed hydrogel membranes The statistical models yielded near-ideal fits for both responses (R² = 0.9994 for oil removal and R² = 1.000 for surfactant removal), indicating excellent predictive reliability across the tested formulation and operating conditions. These findings suggest that the AM/GO hydrogel-coated mesh can be effectively tuned to target either oil, surfactant, or combined removal, making it a promising candidate for compact or modular treatment units. In this way, the recovered water could be reused for secondary purposes, contributing to more sustainable kitchen wastewater management and supporting multiple Sustainable Development Goals (SDGs).

厨房灰水富含脂肪、油和油脂（FOG）以及表面活性剂，由于其污染水源和破坏废水基础设施的能力，对环境构成了重大威胁。在本研究中，通过接枝聚合合成了由丙烯酰胺（AM）、丙烯酸钠（Na-Ac）和氧化石墨烯（GO）组成的增强复合水凝胶，并将其作为涂层涂在不同孔径（200、255和405微米）的不锈钢网上，用于处理油/表面活性剂/水混合物。实验采用不同的丙烯酰胺（AM）成分（50、55和60 wt%）和氧化石墨烯（GO）负载（10、20和40 mg）进行，以研究成分和筛孔尺寸对分离效率的影响。该水凝胶膜的除油效率高达89%，表面活性剂去除率高达80%。统计模型对两种反应的拟合都接近理想（除油率R²= 0.9994，表面活性剂去除率R²= 1.000），表明在测试配方和操作条件下，预测可靠性都很好。这些研究结果表明，AM/GO水凝胶涂层网可以有效地针对油、表面活性剂或组合去除进行调整，使其成为紧凑或模块化处理单元的有希望的候选物。通过这种方式，回收的水可以重复用于次要目的，有助于更可持续的厨房废水管理，并支持多个可持续发展目标（sdg）。

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引用次数: 0

Hydroxyl and pyrrole functionalized polymeric frameworks for efficient aqueous and gaseous iodine sequestration 羟基和吡咯功能化聚合物框架用于有效的水和气态碘隔离

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-30 DOI: 10.1016/j.ceja.2025.101023

Moulidharan Ramamoorthy , Koushiki Bhattacharjee , Himan Dev Singh , Pravesh Singh Bisht , Debanjan Chakraborty , Shyamapada Nandi

Radioactive iodine, including I¹²⁹ and I¹³¹, poses significant environmental and health risks due to its high volatility, long half-life, and water solubility, making the effective capture and storage of these substances crucial for environmental remediation and nuclear waste management. In this context, adsorption-based capture of radioiodine by porous solids has gained considerable attention. Here, we present three chemically robust pyrrole-based porous organic polymers, IISERP-POF15, IISERP-POF16, and IISERP-POF17, for efficient gaseous and solution-phase (aqueous and non-aqueous) iodine sequestration. IISERP-POF17 exhibits a high iodine uptake of 3.07 g/g in the gas phase at 70 °C, as well as effective performance in a non-aqueous medium (hexane), with an uptake of 0.47 g/g at room temperature. In aqueous solution, IISERP-POF15 shows the highest iodine uptake, reaching 2.20 g/g at room temperature. These polymers hold high chemical stability and can be readily recycled with intact iodine capacity. X-ray photoelectron spectroscopy (XPS) analysis evidenced the occurrence of I₂ and polyiodides (I₃^–/I₅^–) in the post iodine-adsorbed polymers. Infrared spectroscopic investigation of the polymers upon iodine adsorption indicated a strong interaction of I₂ with -OH and pyrrolic -NH of the framework. The observed I₂-framework interactions were further backed by molecular simulation using Density Functional Theory (DFT) calculations.

放射性碘，包括I129和I131，由于其挥发性高、半衰期长和水溶性，构成重大的环境和健康风险，因此有效捕获和储存这些物质对于环境补救和核废料管理至关重要。在这种情况下，基于吸附的多孔固体捕获放射性碘已获得相当大的关注。在这里，我们提出了三种化学坚固的吡罗基多孔有机聚合物，IISERP-POF15， IISERP-POF16和IISERP-POF17，用于有效的气相和固相（水相和非水相）碘隔离。IISERP-POF17在70℃气相中具有3.07 g/g的高碘吸收率，在非水介质（己烷）中具有有效的吸收率，在室温下具有0.47 g/g的吸收率。在水溶液中，IISERP-POF15表现出最高的碘吸收率，室温下达到2.20 g/g。这些聚合物具有很高的化学稳定性，可以很容易地以完整的碘容量回收。x射线光电子能谱（XPS）分析证实在碘吸附后的聚合物中存在I2和多碘化物（I3 - /I5 -）。聚合物对碘吸附的红外光谱研究表明，I2与框架中的-OH和吡咯- nh2有很强的相互作用。使用密度泛函理论（DFT）计算的分子模拟进一步支持了观察到的i2 -框架相互作用。

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引用次数: 0

Gas transfer–driven kinetic model for aerobic poly-4-hydroxybutyrate production under dissolved oxygen–limited conditions 溶解氧限制条件下好氧聚4-羟基丁酸酯生产的气传驱动动力学模型

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-30 DOI: 10.1016/j.ceja.2025.101024

Nulee Ji, Jin Ho Lee, Jae Hyun Kim, Jae Hoon Cho, Chan Hoon Park, Sangmin Park

The modern bioindustry is increasingly focused on replacing fossil fuel–based chemical production with greener processes, with poly-4-hydroxybutyrate (P4HB) emerging as a promising alternative to conventional petrochemical plastics. Advanced kinetic models help to efficiently design, optimize, and scale-up novel bioprocesses, such as aerobic P4HB production. Notably, dissolved oxygen depletion is a frequent occurrence during P4HB production by Escherichia coli owing to the extremely high oxygen utilization rate, which limits microbial activity and causes unexpected metabolic shifts, depending on the specific operating conditions. This study proposes an explainable model for aerobic bioprocesses that integrates material balances, transport phenomena, and microbial physiology. The model considers microbial kinetics and cellular metabolism based on oxygen transfer rate (OTR)-related terms. Employing OTR-driven substrate consumption kinetics and dynamic yield coefficient variations, the model can precisely track substrate depletion, biomass growth, P4HB yield, and time-course oxygen uptake across a range of aeration conditions. Simulation with independent datasets confirmed precise prediction of the aforementioned indicators at reactor scales of up to 3 kL. Furthermore, the versatility of the model is demonstrated through estimation of the volumetric mass transfer coefficient (k_La) under actual biotic conditions without gas analysis data. The framework facilitates robust bioprocess design and optimization, scalable k_La estimation, and provides the basis for a soft sensor implementation.

现代生物工业越来越关注用更环保的工艺取代化石燃料为基础的化学生产，聚4-羟基丁酸酯（P4HB）成为传统石化塑料的有前途的替代品。先进的动力学模型有助于有效地设计、优化和扩大新型生物过程，如有氧P4HB生产。值得注意的是，由于极高的氧利用率，在大肠杆菌生产P4HB的过程中经常发生溶解氧耗尽，这限制了微生物的活性，并根据具体的操作条件引起意想不到的代谢变化。本研究提出了一个可解释的有氧生物过程模型，该模型集成了物质平衡、运输现象和微生物生理学。该模型考虑了微生物动力学和基于氧传递率（OTR）相关术语的细胞代谢。利用otr驱动的底物消耗动力学和动态屈服系数变化，该模型可以精确地跟踪底物消耗、生物量增长、P4HB产量和一系列曝气条件下的时间过程摄氧量。独立数据集的模拟证实了上述指标在高达3 kL的反应器规模下的精确预测。此外，通过在没有气体分析数据的实际生物条件下估计体积传质系数（kLa），证明了该模型的通用性。该框架有助于稳健的生物过程设计和优化，可扩展的kLa估计，并为软传感器实现提供基础。

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引用次数: 0

Synergistically engineered Pt-decorated NiCo phosphide anchored on a Fe-MIL-88-derived MOF support for enhanced hydrogen evolution 协同工程pt修饰的NiCo磷化物锚定在fe - mil -88衍生的MOF支架上，以增强氢气的析出

IF 7.1 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-12-30 DOI: 10.1016/j.ceja.2025.101021

Mohd Zahid Ansari , Ebtihal Youssef , Ahmed Abdala , Samer Adham , Ahmed Abdel-Wahab

A Pt-decorated bimetallic nickel-cobalt phosphide (NiCoP_z) catalyst was prepared on an optimized Fe-MIL-88 framework supported on nickel foam (NF). Fe-MIL-88 was synthesized via a solvothermal method using polyvinylpyrrolidone (PVP) and subsequently annealed at 250–400 °C. A bimetallic NiCo structure was hydrothermally grown on this framework, followed by Pt deposition using table-top magnetron sputtering (TMS) and a final phosphorization to prepare Pt@NiCoP_z/MIL-400. Scanning Electron Microscopy (SEM) revealed interconnected nanosheets anchored to the MIL-derived framework. X-ray Diffraction (XRD) confirmed retention of the MIL-derived structure with NiCoP phases. Transmission Electron Microscopy (TEM) and Scanning (STEM) coupled with Energy-Dispersive X-ray Spectroscopy (EDS) mapping revealed distinct lattice fringes and a homogeneous distribution of Ni, Co, P, and Pt. X-ray Photoelectron Spectroscopy (XPS) confirmed metal-phosphorus bonding, retained Fe-centers, and the persence of Pt, while Brunauer-Emmett-Teller (BET) showed a hierarchical mesoporous structure with an increased surface area. The Pt@NiCoP_z/MIL-400 catalyst required an overpotential of ∼111 mV at 10 mA cm^-2 and ∼181 mV at 100 mA cm^-2 in 0.5 M H₂SO₄ with a Tafel slope of ∼56 mVdec^-1. A 48-h chronoamperometric test showed reasonable stability, although partial detachment of the surface from the substrate was observed. This approach offers a promising route to efficient HER electrocatalysts, where improved interfacial adhesion could further enhance stability.

在泡沫镍（NF）支撑的Fe-MIL-88框架上制备了pt修饰的双金属磷化镍钴（NiCoPz）催化剂。以聚乙烯吡咯烷酮（PVP）为原料，采用溶剂热法合成了Fe-MIL-88，并在250 ~ 400℃下退火。在此框架上水热生长出双金属NiCo结构，然后使用桌面磁控溅射（TMS）沉积Pt，最后进行磷酸化制备Pt@NiCoPz/MIL-400。扫描电子显微镜（SEM）显示相互连接的纳米片锚定到mil衍生的框架。x射线衍射（XRD）证实了NiCoP相保留了mil衍生的结构。透射电镜（TEM）和扫描电镜（STEM）结合能量色散x射线能谱（EDS）成像显示了明显的晶格条纹和均匀分布的Ni， Co， P和Pt。x射线光电子能谱（XPS）证实了金属-磷键，保留了铁中心和Pt的存在，而brunauer - emmet - teller （BET）显示出分层介孔结构，表面积增加。Pt@NiCoPz/MIL-400催化剂在10 mA cm-2条件下需要过电位~ 111 mV，在0.5 M H2SO4条件下需要过电位~ 181 mV， Tafel斜率为~ 56 mvdec1。48小时的计时电流测试显示出合理的稳定性，尽管观察到部分表面从衬底脱落。这种方法为高效HER电催化剂提供了一条有前途的途径，其中改善的界面附着力可以进一步提高稳定性。

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