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Evaluation of electrochemical regeneration of antibiotic-loaded clay in a single-reactor process 负载抗生素的粘土在单反应器过程中的电化学再生评价
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-06 DOI: 10.1016/j.psep.2026.108573
Raissa Antonelli , Antonia Regina dos S. Gois , Geoffroy Roger Pointer Malpass , Sueli Ivone Borrely , Antonio Carlos Silva Costa Teixeira
This study investigated the in situ electrochemical regeneration of a clay adsorbent loaded with sulfamethoxazole (SMX) using two systems (NaCl/DSA and Na2SO4/BDD), aiming to understand the regeneration process and evaluate the quality of the generated electrolyte solution. The NaCl/DSA system exhibited higher regeneration efficiency (RE: 135–97 %) compared to Na2SO4/BDD (RE: 101–51 %), highlighting the role of active chlorine species in SMX degradation. During regeneration, SMX was not detected in the solution, being degraded into transformation products, or mineralized. The presence of traces of hydrocarbons and the increase in the total organic carbon content in the electrolytic solution suggest partial oxidation of the surfactant present in the clay formulation, possibly generating new active sites and enhancing adsorption capacity (RE > 100 %). However, extended regeneration times appear to promote significant loss of adsorbent integrity. The compounds detected in the solution resulting from the Na2SO4/BDD system indicate more pronounced degradation of the clay matrix, which may have influenced its lower regenerative efficiency. Although the NaCl/DSA system demonstrated greater efficiency, its corresponding electrolyte solution exhibited increased toxicity toward Lactuca sativa seedlings. In contrast, acute toxicity tests using Aliivibrio fischeri indicated that the produced electrolytic solutions did not have any inhibitory effects. Furthermore, photolysis treatment lowered phytoxicity and improved environmental compatibility. Finally, characterization analyses demonstrated preservation of the structural integrity of the clay against the applied processes.
本研究采用NaCl/DSA和Na2SO4/BDD两种体系对负载磺胺甲恶唑(SMX)的粘土吸附剂进行了原位电化学再生研究,旨在了解再生过程并评价生成的电解质溶液的质量。与Na2SO4/BDD (RE: 101-51 %)相比,NaCl/DSA体系表现出更高的再生效率(RE: 135-97 %),突出了活性氯在SMX降解中的作用。在再生过程中,溶液中没有检测到SMX,被降解成转化产物或矿化。微量碳氢化合物的存在和电解溶液中总有机碳含量的增加表明,粘土配方中存在的表面活性剂部分氧化,可能产生新的活性位点并增强吸附能力(RE > 100 %)。然而,延长再生时间似乎促进吸附剂完整性的显著损失。在Na2SO4/BDD体系生成的溶液中检测到的化合物表明,粘土基质的降解更为明显,这可能是其再生效率较低的原因。虽然NaCl/DSA体系表现出更高的效率,但其对应的电解质溶液对油菜幼苗的毒性增加。相反,使用费氏弧菌进行的急性毒性试验表明,所产生的电解溶液没有任何抑制作用。此外,光解处理降低了植物毒性,提高了环境相容性。最后,表征分析证明了粘土在应用过程中结构完整性的保存。
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引用次数: 0
From waste to catalyst: A “waste−treats−waste” strategy using vivianite for simultaneous phosphorus recovery and sulfadiazine degradation 从废物到催化剂:利用活菌石同时回收磷和磺胺嘧啶降解的“废物-处理-废物”策略
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-06 DOI: 10.1016/j.psep.2026.108566
Fengping Zhou , Nan Zhao , Ruigang Wang , Meina Guo , Jialin Liang , Lei Zhang , Gang Qin , Dachun Feng , Hui Liu
Livestock wastewater represents a dual environmental challenge, being a source of both nutrient pollution from phosphorus and emerging contaminants like the antibiotic sulfadiazine (SDZ). This study presents a circular "waste-treats-waste" strategy to address both issues simultaneously by recovering phosphorus from pig manure leachate as vivianite and valorizing it as a catalyst to degrade SDZ. P was recovered from pig manure leachate as vivianite, achieving a recovery rate of 98.5 % under optimized conditions (pH 7, Fe/P molar ratio 2.6). Recovered vivianite was then used to activate sodium percarbonate (SPC) for the degradation of SDZ. This dual−function system generated multiple reactive oxygen species (ROS), including hydroxyl radicals (•OH), carbonate radicals (CO3•−), superoxide (O2•−), and singlet oxygen (1O2), with •OH being the dominant species, contributing to a maximum SDZ removal of 84.1 % at pH 3.00 with 300 mg L−1 vivianite and 0.50 mM SPC after 30 min. Site−specific attacks on the SDZ molecule were revealed by density functional theory (DFT) calculations of Fukui function indices. This theoretical prediction was experimentally validated by LC−MS analyses, which identified ten major transformation products. These products, formed via hydroxylation, desulfonation, and ring-opening reactions, demonstrate the diverse degradation pathways operative in the system. Quantitative structure-activity relationship (QSAR) modeling indicated that while some intermediates showed increased bioaccumulation potential, progressive degradation generally leads to less toxic products. This work establishes a viable circular economy model that integrates nutrient recovery with micropollutant control, highlighting the potential of valorized vivianite for sustainable agricultural wastewater management.
牲畜废水代表着双重环境挑战,既是磷的营养物污染的来源,也是抗生素磺胺嘧啶(SDZ)等新出现的污染物的来源。本研究提出了一种循环的“废物-处理-废物”策略,通过从猪粪渗滤液中回收磷作为活菌石并将其作为降解SDZ的催化剂来同时解决这两个问题。在优化条件(pH为7,铁磷摩尔比为2.6)下,猪粪渗滤液中磷的回收率为98.5 %。然后用回收的橄榄石活化过碳酸钠(SPC)降解SDZ。这种双-功能系统产生多种活性氧(ROS),包括羟基自由基(•OH)、碳酸盐自由基(CO3•−)、超氧化物(O2•−)和单线态氧(1O2),其中•OH是优势种,在pH为3.00时,300 mg L−1维纶石和0.50 mM SPC在30 min后,SDZ去除率最高可达84.1 %。通过密度泛函理论(DFT)计算Fukui函数指数揭示了SDZ分子的位点特异性攻击。这一理论预测得到了LC - MS分析的实验验证,确定了10个主要的转化产物。这些产物通过羟基化、脱硫和开环反应形成,证明了系统中多种降解途径的运作。定量构效关系(QSAR)模型表明,虽然一些中间体的生物积累潜力增加,但逐渐降解通常会导致毒性较低的产物。这项工作建立了一个可行的循环经济模型,将养分回收与微污染物控制相结合,突出了价值化活菌石在可持续农业废水管理中的潜力。
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引用次数: 0
Struvite as soil conditioner for the effective remediation of heavy metals in acidic soil: Performance and mechanism 鸟粪石作为土壤改良剂对酸性土壤中重金属的有效修复:性能与机制
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-06 DOI: 10.1016/j.psep.2026.108562
Yuankun Yu , Guowei Liu , Wei Wang , Xiaoning Liu
Soil acidification and heavy metal pollution pose significant challenges to sustainable agricultural production. This study evaluated the efficacy of struvite, recovered from phosphogypsum leachate, in remediating copper (Cu) and cadmium (Cd) contamination from two acidic soils (pH 5.40 and 6.32) through a 45-day soil incubation experiment. The application of struvite significantly increased soil pH by 1.82–2.45 and 0.79–1.63 units, respectively. With increasing struvite dosage, the exchangeable and residual fractions of Cu and Cd decreased, while the carbonate-bound, iron/manganese oxide-bound, and organic-bound fractions increased. Struvite dissolution also enhanced soil fertility, although nutrient levels showed no significant difference between 20 and 45 days, indicating that dissolution occurred primarily within the first 20 days. Soil enzyme activities responded variably; alkaline phosphatase activity increased by 20.0–93.3 % and 5.50–45.0 % in the two soils, respectively, promoting organic matter degradation and nutrient availability, thereby further immobilizing heavy metals. Multivariate analysis revealed that soil pH was the dominant factor influencing heavy metal speciation and nutrient dynamics, showing a significant positive correlation only with catalase and alkaline phosphatase activities. Remediation efficiency depended on soil properties and struvite dosage, with more acidic soil exhibiting greater improvement. The immobilization mechanism involved pH-induced reduction in heavy metal bioavailability, complemented by surface adsorption, complexation, and precipitation. These findings demonstrate that struvite is an effective and sustainable soil conditioner for immobilizing heavy metals in acidic soils, thereby improving conditions for crop production.
土壤酸化和重金属污染对农业可持续生产构成重大挑战。本研究通过45天的土壤培养试验,评价了磷石膏渗滤液中回收的鸟粪石对两种酸性土壤(pH分别为5.40和6.32)中铜和镉污染的修复效果。施用鸟粪石可显著提高土壤pH值,分别提高1.82 ~ 2.45和0.79 ~ 1.63个单位。随着鸟粪石用量的增加,Cu和Cd的交换组分和残余组分降低,碳酸盐结合组分、铁/锰氧化物结合组分和有机结合组分增加。鸟粪石的溶解也提高了土壤肥力,尽管养分水平在20天和45天之间没有显著差异,表明溶解主要发生在前20天。土壤酶活性有不同的响应;两种土壤的碱性磷酸酶活性分别提高了20.0 ~ 93.3 %和5.50 ~ 45.0 %,促进了有机质降解和养分有效性,从而进一步固定化重金属。多因素分析表明,土壤pH值是影响重金属形态和养分动态的主导因子,仅与过氧化氢酶和碱性磷酸酶活性呈显著正相关。修复效果与土壤性质和鸟粪石用量有关,酸性越强的土壤修复效果越好。固定化机制涉及ph诱导的重金属生物利用度降低,辅以表面吸附、络合和沉淀。上述结果表明,鸟粪石是一种有效的、可持续的土壤调节剂,可以固定酸性土壤中的重金属,从而改善作物生产条件。
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引用次数: 0
A review of enhanced and emerging contaminant removal by modified membranes: Advanced materials, mechanisms, and performance optimization 改性膜增强和新兴污染物去除技术综述:先进材料、机理和性能优化
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-05 DOI: 10.1016/j.psep.2026.108553
Durga Chandrashekhar , Muhammad Tawalbeh , Amani Al-Othman , Fares Almomani
With increasing industrial activity, multiple emerging contaminants, ranging from organic compounds like pharmaceuticals to inorganic compounds like heavy metals, are present in different water sources. However, many of the current water/wastewater treatment facilities struggle to completely remove these contaminants, leading to their leaching into the environment. This review examines literature surrounding novel membrane technology as a potential solution to mitigate these contaminants, including a study of the advanced materials and their associated mechanisms. While size exclusion membranes are some of the most commonly found, especially in pilot/full-scale studies and across literature, novel materials like MOFs and hybrid structures have become increasingly prevalent, relying on other mechanisms like adsorption. In addition to the discussion of such advanced membranes, this review proposes methods for optimizing membrane performance, focusing on the selectivity-permeability paradox and membrane fouling among other factors. These factors play a key role in upscaling these membranes, and this review concludes with a discussion of future research directions to truly commercialize membrane technology for enhanced water treatment. This review concludes that, from a social perspective, membrane technologies appear to be the most effective and affordable. They are part of the next step towards the 6th UN Sustainable Development Goal (SDG-6), especially when coupled with advanced functional materials.
随着工业活动的增加,多种新出现的污染物,从药物等有机化合物到重金属等无机化合物,都存在于不同的水源中。然而,目前许多水/废水处理设施难以完全去除这些污染物,导致它们渗入环境。本文综述了有关新型膜技术作为减轻这些污染物的潜在解决方案的文献,包括对先进材料及其相关机制的研究。虽然尺寸排除膜是最常见的,特别是在试点/全面研究和文献中,但新型材料,如mof和混合结构,依赖于吸附等其他机制,已经变得越来越普遍。除了对这些先进膜的讨论,本文还提出了优化膜性能的方法,重点关注选择性-渗透性悖论和膜污染等因素。这些因素对膜强化水处理技术的规模化发展起着关键作用,并对膜强化水处理技术实现商业化的未来研究方向进行了展望。本文的结论是,从社会的角度来看,膜技术似乎是最有效和负担得起的。它们是实现联合国第六个可持续发展目标(SDG-6)下一步的一部分,特别是与先进的功能材料相结合时。
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引用次数: 0
Study on ball milling driven solvent extraction – Ozone oxidation decolorization of waste printed polyester fabrics 球磨驱动溶剂萃取-臭氧氧化脱色废印花涤纶织物的研究
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-05 DOI: 10.1016/j.psep.2026.108545
Xiao Li , Chengyong Gao , Wansi Li , Sheng Shi , Enbin Zhu , Meiling Zhang , Shuhua Wang
To address the problem that dyes are difficult to be efficiently removed during the recycling process of used printed polyester fabrics, this study proposes a decolorization technology driven by ball milling and solvent extraction combined with ozone oxidation. N,N-dimethylacetamide was selected as the decolorizing agent. Combining the ball milling effect, it promotes the swelling of the amorphous region of polyester fibers, triggering structural slack, thereby enhancing the migration and extraction effect of the decolorizer on the dye. Under optimized process conditions (600 rpm, solid-to-liquid ratio of 1:14, and 5 h), a decolorization rate of 89.63 % and a whiteness value of 61.4 were achieved. Subsequently, ozone treatment under conditions of pH 7, 70°C, and 100 % concentration for 3 h was implemented to deeply remove the residual dye, ultimately improving the decolorization rate to 96.22 % and achieving a whiteness value of 69.7. Characterization results indicated that this process did not damage the crystalline structure of the polyester fibers, while also enabling the cyclic reuse of DMAc and dye, with the recovered dyed fabric attaining a color fastness level of 4. This method enables efficient and clean recycling of waste polyester fabrics through its mild conditions, green process, and potential for product upcycling.
针对废旧印花涤纶织物在回收过程中染料难以有效去除的问题,本研究提出了一种球磨-溶剂萃取结合臭氧氧化的脱色技术。选择N,N-二甲基乙酰胺作为脱色剂。结合球磨效应,促进聚酯纤维无定形区膨胀,引发结构松弛,从而增强脱色剂对染料的迁移和萃取效果。在优化的工艺条件下(600 rpm,料液比1:14,5 h),脱色率为89.63 %,白度值为61.4。随后,在pH为7、70℃、浓度为100 %的条件下进行臭氧处理3 h,深度去除残留染料,最终脱色率提高到96.22 %,白度值达到69.7。表征结果表明,该工艺没有破坏聚酯纤维的结晶结构,同时使DMAc和染料循环再利用,回收的染色织物色牢度达到4级。这种方法通过其温和的条件、绿色的工艺和产品升级回收的潜力,使废弃聚酯织物能够高效、清洁地回收。
{"title":"Study on ball milling driven solvent extraction – Ozone oxidation decolorization of waste printed polyester fabrics","authors":"Xiao Li ,&nbsp;Chengyong Gao ,&nbsp;Wansi Li ,&nbsp;Sheng Shi ,&nbsp;Enbin Zhu ,&nbsp;Meiling Zhang ,&nbsp;Shuhua Wang","doi":"10.1016/j.psep.2026.108545","DOIUrl":"10.1016/j.psep.2026.108545","url":null,"abstract":"<div><div>To address the problem that dyes are difficult to be efficiently removed during the recycling process of used printed polyester fabrics, this study proposes a decolorization technology driven by ball milling and solvent extraction combined with ozone oxidation. N,N-dimethylacetamide was selected as the decolorizing agent. Combining the ball milling effect, it promotes the swelling of the amorphous region of polyester fibers, triggering structural slack, thereby enhancing the migration and extraction effect of the decolorizer on the dye. Under optimized process conditions (600 rpm, solid-to-liquid ratio of 1:14, and 5 h), a decolorization rate of 89.63 % and a whiteness value of 61.4 were achieved. Subsequently, ozone treatment under conditions of pH 7, 70°C, and 100 % concentration for 3 h was implemented to deeply remove the residual dye, ultimately improving the decolorization rate to 96.22 % and achieving a whiteness value of 69.7. Characterization results indicated that this process did not damage the crystalline structure of the polyester fibers, while also enabling the cyclic reuse of DMAc and dye, with the recovered dyed fabric attaining a color fastness level of 4. This method enables efficient and clean recycling of waste polyester fabrics through its mild conditions, green process, and potential for product upcycling.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"209 ","pages":"Article 108545"},"PeriodicalIF":7.8,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Defect engineering synergised with S-scheme heterojunction for the efficient reduction of carbon dioxide 缺陷工程与s型异质结协同高效还原二氧化碳
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-05 DOI: 10.1016/j.psep.2026.108570
Jie Gu , Mingxia Tian , Yuan Zhang , Lili Huang , Beibei Sun , Yong Qin , Jianhui Jiang
Photocatalytic CO2 reduction is essential for achieving carbon neutrality; however, its low efficiency remains a significant challenge. CO2 photocatalytic performance can be enhanced through defect engineering and heterojunction construction. In this study, S-scheme Bi4O5Cl2/g-C3N5 catalysts were successfully synthesised using a hydrothermal method. Following optimisation, the CO production rate under visible light illumination increased significantly to 57.2 μmol·g−1·h−1, representing improvements of 3.76 and 4.15 times compared with pristine Bi4O5Cl2 and g-C3N5, respectively. Characterisation indicated that this superior performance can be attributed to the combined effects of defect engineering and the S-scheme heterojunction, with C–Cl bonds serving as electron transfer channels. This synergy significantly enhanced CO2 adsorption and charge-carrier separation efficiency. Cycling tests demonstrated that the optimised catalysts exhibited excellent stability, maintaining catalytic activity after six consecutive cycles. In situ infrared spectroscopy revealed the formation pathway of the *COOH intermediate, confirming the reaction mechanism: CO2 → *COOH → *CO → CO. This study provides a novel strategy to synergistically enhance CO2 conversion efficiency through defect engineering and S-scheme heterojunction design.
光催化CO2还原对实现碳中和至关重要;然而,它的低效率仍然是一个重大挑战。通过缺陷工程和异质结的构建可以提高CO2光催化性能。本研究采用水热法成功合成了S-scheme Bi4O5Cl2/g-C3N5催化剂。优化后的CO产率达到57.2 μmol·g−1·h−1,与原始Bi4O5Cl2和g- c3n5相比分别提高了3.76倍和4.15倍。表征表明,这种优异的性能可归因于缺陷工程和s -图式异质结的共同作用,其中C-Cl键作为电子转移通道。这种协同作用显著提高了CO2吸附和载流子分离效率。循环试验表明,优化后的催化剂表现出优异的稳定性,在连续六次循环后仍保持催化活性。原位红外光谱揭示了*COOH中间体的形成途径,证实了反应机理:CO2→*COOH→*CO→CO。本研究为通过缺陷工程和s -图式异质结设计协同提高CO2转化效率提供了一种新策略。
{"title":"Defect engineering synergised with S-scheme heterojunction for the efficient reduction of carbon dioxide","authors":"Jie Gu ,&nbsp;Mingxia Tian ,&nbsp;Yuan Zhang ,&nbsp;Lili Huang ,&nbsp;Beibei Sun ,&nbsp;Yong Qin ,&nbsp;Jianhui Jiang","doi":"10.1016/j.psep.2026.108570","DOIUrl":"10.1016/j.psep.2026.108570","url":null,"abstract":"<div><div>Photocatalytic CO<sub>2</sub> reduction is essential for achieving carbon neutrality; however, its low efficiency remains a significant challenge. CO<sub>2</sub> photocatalytic performance can be enhanced through defect engineering and heterojunction construction. In this study, S-scheme Bi<sub>4</sub>O<sub>5</sub>Cl<sub>2</sub>/g-C<sub>3</sub>N<sub>5</sub> catalysts were successfully synthesised using a hydrothermal method. Following optimisation, the CO production rate under visible light illumination increased significantly to 57.2 μmol·g<sup>−1</sup>·h<sup>−1</sup>, representing improvements of 3.76 and 4.15 times compared with pristine Bi<sub>4</sub>O<sub>5</sub>Cl<sub>2</sub> and g-C<sub>3</sub>N<sub>5</sub>, respectively. Characterisation indicated that this superior performance can be attributed to the combined effects of defect engineering and the S-scheme heterojunction, with C–Cl bonds serving as electron transfer channels. This synergy significantly enhanced CO<sub>2</sub> adsorption and charge-carrier separation efficiency. Cycling tests demonstrated that the optimised catalysts exhibited excellent stability, maintaining catalytic activity after six consecutive cycles. In situ infrared spectroscopy revealed the formation pathway of the *COOH intermediate, confirming the reaction mechanism: CO<sub>2</sub> → *COOH → *CO → CO. This study provides a novel strategy to synergistically enhance CO<sub>2</sub> conversion efficiency through defect engineering and S-scheme heterojunction design.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"209 ","pages":"Article 108570"},"PeriodicalIF":7.8,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135196","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fluid flow and CBM productivity-CO2 injectivity evaluations induced by injection pressure and reservoir condition: Implications for CO2-ECBM injection process and drainage degree 由注入压力和储层条件引起的流体流动和煤层气产能- co2注入评价:对CO2-ECBM注入过程和泄油程度的影响
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-05 DOI: 10.1016/j.psep.2026.108564
Zhonghui Wang , Shoujian Peng , Jiang Xu , Li Jia , Liang Cheng , Jiaxuan Chen
In order to study the key technology of CO2 sequestration and enhanced coalbed methane recovery (CO2-ECBM), a series of large-scale physical simulation experiments were conducted with varying CO2 injection pressures Pin and original CH4 pressures Pres. The fluid flow evolution of reservoir pressure, CH4 recovery efficiency (RE), and CO2 injectivity (J) were monitored and analyzed in real time. The fluid flow evolution indicates centrifugal flow near the injection well and centripetal flow toward the production well, and a larger Pin produces a stronger pressure gradient and more pronounced flow-state transformation. Increasing Pin accelerates CO2 breakthrough and enhances CH4 recovery increasing from 78.08 % to 90.30 % with the original CH4 pressure 1.5 MPa. With Pin increasing from 1.5 to 2.5 MPa, CO2 breakthrough was accelerated and RE increased from 78.08 % to 90.30 % at Pres of 1.5 MPa. Under Pin of 2.5 MPa, RE increased from 90.30 % to 96.70 % as Pres decreased from 1.5 to 0.5 MPa, indicating that a higher Pin-Pres differential favors more complete CH4 depletion. The paper evaluated CO2 injectivity (J) quantitatively by the injection flow rate and reservoir pressure. The J exhibits a rise-decline-stabilization trend, indicating the evolving injection dynamics and pressure-driven behavior in the reservoir. While a lower Pres further boosts the early-stage injectivity. CO2-ECBM is governed by a dynamic shift from replacement-dominated to displacement-dominated behavior, the time for replacement ratio to equal displacement ratio shortens from 50 to 36 min as Pin increases from 1.5 to 2.5 MPa. These results suggest that improving CO2-ECBM performance requires both an appropriately elevated injection pressure and sufficient pre-drainage, and optimizing injection timing to extend the high-efficiency replacement stage is crucial for achieving synergistic CH4 recovery and CO2 injectivity.
为了研究CO2固存与提高煤层气采收率(CO2- ecbm)的关键技术,在不同CO2注入压力Pin和原始CH4压力Pres条件下进行了一系列大规模物理模拟实验,实时监测和分析了储层压力、CH4采收率(RE)和CO2注入率(J)的流体流动演化规律。流体流动演化表现为注入井附近的离心流动和生产井附近的向心流动,Pin越大,压力梯度越强,流态转变越明显。当初始CH4压力为1.5 MPa时,增加Pin加速了CO2的突破,提高了CH4的采收率,从78.08 %提高到90.30 %。当压力从1.5 MPa增加到2.5 MPa时,CO2突破速度加快,RE从78.08 %提高到90.30 %。当Pin值为2.5 MPa时,随着Pres值从1.5 ~ 0.5 MPa降低,RE值从90.30 %增加到96.70 %,说明Pin-Pres差越大,CH4耗损越彻底。通过注入流量和储层压力对CO2注入能力进行了定量评价。J层呈现出上升-下降-稳定的趋势,表明了油藏中不断变化的注入动态和压力驱动行为。而较低的压力进一步提高了早期的注入能力。CO2-ECBM受替代主导向驱替主导动态转变的支配,当Pin从1.5 MPa增加到2.5 MPa时,替代比到等驱替比所需时间从50 min缩短到36 min。这些结果表明,提高CO2- ecbm性能需要适当提高注入压力和充分的预排液,而优化注入时间以延长高效替换阶段对于实现CH4采收率和CO2注入能力的协同作用至关重要。
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引用次数: 0
Multiscale modeling of venting behavior during thermal runaway propagation from battery module to energy storage container 热失控从电池模块到储能容器传播过程中排气行为的多尺度建模
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-05 DOI: 10.1016/j.psep.2026.108563
Rongqi Peng , Yihe Dong , Ping Ping , Depeng Kong , Gongquan Wang , Xu He , Chaoshi Liu
Thermal runaway (TR) of lithium-ion batteries is a safety concern in battery energy storage systems (BESS). High-temperature and flammable multiphase gases are released from TR cells. In many cases, these gases are not immediately ignited but can influence thermal runaway propagation (TRP) within a battery pack and pose fire or explosion risks after accumulating at the container level. Existing modeling studies address either the TRP within battery packs or flammable gas dispersion at the container level. However, a comprehensive model capable of evaluating both processes is still lacking. This gap limits risk analysis during TRP, given that vented gases generated during a TR inevitably propagate from the pack to the container. A multiscale modeling framework was developed by integrating a lumped TRP model of the battery pack with a three-dimensional CFD model for the BESS container. In the lumped model, an empirical correlation for venting-induced heat flux was incorporated, and the thermal response of the air layer above the module was modeled to capture preheating effects on adjacent cells. The venting conditions through the pressure-balancing valve of the battery pack were resolved in real time and provided to the CFD model to simulate flammable gas dispersion inside the container. Simulation results indicated that the effect of TR venting on triggering cell failures increased progressively with TRP evolution. The TR initiation location strongly affected system-level explosion risks, with a TR originating near the module center leading to faster propagation and more intensive venting. The vertical placement of the faulty pack was also identified as an influencing factor due to the accumulation of combustible gases near the container ceiling. This framework captured the full chain of TR venting events from the cell level to the system level and serves as a practical tool for assessing TRP dynamics and explosion hazards in BESS applications.
锂离子电池热失控是电池储能系统中的一个安全问题。高温可燃多相气体从TR电池中释放出来。在许多情况下,这些气体不会立即被点燃,但会影响电池组内的热失控传播(TRP),并在容器层面积聚后造成火灾或爆炸风险。现有的模型研究要么针对电池组内的TRP,要么针对容器水平上可燃气体的分散。然而,目前仍然缺乏一个能够评价这两个过程的综合模型。这个间隙限制了TRP期间的风险分析,因为在TRP期间产生的排放气体不可避免地从填料传播到容器中。将电池组的集总TRP模型与BESS容器的三维CFD模型相结合,建立了多尺度建模框架。在集总模型中,引入了排气引起的热通量的经验相关性,并对模块上方空气层的热响应进行了建模,以捕捉预热对相邻单元的影响。实时求解电池组压力平衡阀的排气情况,提供给CFD模型模拟容器内可燃气体的扩散。模拟结果表明,随着TRP的进化,TR排气对触发细胞失效的影响逐渐增加。TR起爆位置强烈影响系统级爆炸风险,TR起爆位置靠近模块中心,导致传播速度更快,排气强度更大。由于可燃气体在集装箱顶棚附近积聚,故障包的垂直放置也被确定为一个影响因素。该框架捕获了从单元级到系统级的TR排放事件的完整链,并作为评估BESS应用中TRP动态和爆炸危险的实用工具。
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引用次数: 0
Optimization and mechanistic analysis of guar gum fracturing fluid composition based on coalbed gas bioengineering 基于煤层气生物工程的瓜尔胶压裂液成分优化及机理分析
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-05 DOI: 10.1016/j.psep.2026.108565
Yongxin Guan , Hongyu Guo , Hong Zhang , Shuaishuai Xu , Qinming Fan , Haichao Wang , Kuo Jian , Zhaoying Chen , Shufeng Zhao
To achieve the synergistic application of coal seam permeability enhancement and coalbed gas bioengineering, this study employed an orthogonal design to optimize a guar gum-based fracturing fluid. The effects of the optimized fluid on methane production and coal matrix modification during anaerobic digestion were systematically evaluated. Results showed that methane yield by 19.11 % and the lag phase shortened to 2.40 days. Furthermore, it exhibited improved microbial degradability, meeting viscosity standards for effective gel breaking, while reducing coal wettability and minimizing core damage. Microbial action further degraded the coal structure. Dissolved organic matter during anaerobic digestion was primarily composed of aromatic protein-like substances, fulvic acid, and soluble microbial metabolites. The optimized composition enhanced the production rate of protein-like substances and substrate degradation capacity. The microbial community was dominated by hydrolytic and acidogenic bacteria such as Proteiniphilum and Lascolabacillus, with acetoclastic methanogen Methanothrix, while hydrogenotrophic Methanoculleus markedly increased. This metabolic shift was functionally supported by the upregulation of key genes involved in glycolysis, the Wood-Ljungdahl pathway, and CO2-reducing methanogenesis pathways. This study offers experimental evidence for the application of guar gum fracturing fluids in biologically driven coalbed methane development.
为实现煤层增透与煤层气生物工程协同应用,采用正交设计优化瓜尔胶基压裂液。系统评价了优化液对厌氧消化产甲烷和煤基质改性的影响。结果表明,甲烷产率提高19.11% %,滞后期缩短至2.40 d。此外,它还表现出更好的微生物降解性,满足有效破胶的粘度标准,同时降低了煤的润湿性,最大限度地减少了岩心损伤。微生物作用进一步破坏了煤的结构。厌氧消化过程中溶解的有机物主要由芳香蛋白样物质、黄腐酸和可溶性微生物代谢物组成。优化后的组合提高了蛋白样物质的产率和底物降解能力。微生物群落以水解菌和产酸菌(Proteiniphilum、Lascolabacillus)为主,以醋酸破甲菌(Methanothrix)为主,而氢养型甲烷菌(hydrogentrophic Methanoculleus)明显增多。这种代谢转变在功能上受到糖酵解、Wood-Ljungdahl途径和二氧化碳还原甲烷生成途径相关关键基因上调的支持。该研究为瓜尔胶压裂液在煤层气生物驱开发中的应用提供了实验依据。
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引用次数: 0
MOF-derived Pd@In2O3/NiO nanoflowers for high-selectivity hydrogen detection at room temperature mof衍生的Pd@In2O3/NiO纳米花在室温下的高选择性氢检测
IF 7.8 2区 环境科学与生态学 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-05 DOI: 10.1016/j.psep.2026.108560
Peiyu Duan , Haowen Wang , Ying Liu , Hongmin Zhou , Jiamin Tian , Kaiqiang Jin , Qiangling Duan , Qingsong Wang , Jinhua Sun
Due to the properties of large specific surface area and tunable pore structures, MOF-derived materials have been regarded as promising candidates in the field of gas sensing. In this work, MOF-derived Pd@In2O3/NiO materials were proposed for room-temperature hydrogen detection. The bimetallic In/Ni-MOF template with mesopores was successfully synthesized through one-step hydrothermal method. To further improve the sensing performance and selectivity toward hydrogen, Pd was selected as catalyst and loaded on the template under ultraviolet light. Especially, the large specific surface area of MOF-derived materials was maintained well after heat treatment, owing to the in-situ cation exchange of Ni2 + and In3+ ions. MOF-derived Pd@In2O3/NiO possessed a large specific surface area of 473.63 m2/g with an average pore size of 8.72 nm, which facilitated the gas adsorption and diffusion process. Accordingly, the modified materials showed a significant improvement in hydrogen sensing performance. The mesoporous Pd@In2O3/NiO sensor exhibited a response of 3.53 toward 200 ppm H2 at 25 ℃. The good stability, low detection limit (3.36 ppm) and favorable moisture resistance ability (S = 2.6, 200 ppm, 75 RH%) were also studied. Furthermore, the Pd@In₂O₃/NiO sensor exhibited high selectivity to H2 against typical interfering flammable gases. The enhanced hydrogen sensing performance can be mainly attributed to the unique porous structures and the formation of the Schottky barrier at the material interfaces. This work provides a feasible solution to the room-temperature detection of hydrogen.
由于mof衍生材料具有比表面积大、孔结构可调等特点,在气体传感领域具有广阔的应用前景。在这项工作中,mof衍生的Pd@In2O3/NiO材料被提出用于室温氢检测。采用一步水热法成功合成了具有介孔的双金属In/Ni-MOF模板。为了进一步提高对氢的传感性能和选择性,选择钯作为催化剂,在紫外光下负载在模板上。特别是,由于Ni2 +和In3+离子的原位阳离子交换,mof衍生材料在热处理后保持了较大的比表面积。mof衍生的Pd@In2O3/NiO具有473.63 m2/g的大比表面积,平均孔径为8.72 nm,有利于气体的吸附和扩散过程。因此,改性后的材料在氢传感性能上有了显著的提高。介孔Pd@In2O3/NiO传感器在25℃下对200ppm H2的响应为3.53。稳定性好,检出限低(3.36 ppm),耐湿性好(S = 2.6, 200 ppm, 75 RH%)。此外,Pd@In₂O₃/NiO传感器对H2表现出对典型干扰可燃气体的高选择性。这种增强的氢传感性能主要归因于材料界面上独特的多孔结构和Schottky势垒的形成。本工作为氢的室温检测提供了一种可行的解决方案。
{"title":"MOF-derived Pd@In2O3/NiO nanoflowers for high-selectivity hydrogen detection at room temperature","authors":"Peiyu Duan ,&nbsp;Haowen Wang ,&nbsp;Ying Liu ,&nbsp;Hongmin Zhou ,&nbsp;Jiamin Tian ,&nbsp;Kaiqiang Jin ,&nbsp;Qiangling Duan ,&nbsp;Qingsong Wang ,&nbsp;Jinhua Sun","doi":"10.1016/j.psep.2026.108560","DOIUrl":"10.1016/j.psep.2026.108560","url":null,"abstract":"<div><div>Due to the properties of large specific surface area and tunable pore structures, MOF-derived materials have been regarded as promising candidates in the field of gas sensing. In this work, MOF-derived Pd@In<sub>2</sub>O<sub>3</sub>/NiO materials were proposed for room-temperature hydrogen detection. The bimetallic In/Ni-MOF template with mesopores was successfully synthesized through one-step hydrothermal method. To further improve the sensing performance and selectivity toward hydrogen, Pd was selected as catalyst and loaded on the template under ultraviolet light. Especially, the large specific surface area of MOF-derived materials was maintained well after heat treatment, owing to the in-situ cation exchange of Ni<sup>2 +</sup> and In<sup>3+</sup> ions. MOF-derived Pd@In<sub>2</sub>O<sub>3</sub>/NiO possessed a large specific surface area of 473.63 m<sup>2</sup>/g with an average pore size of 8.72 nm, which facilitated the gas adsorption and diffusion process. Accordingly, the modified materials showed a significant improvement in hydrogen sensing performance. The mesoporous Pd@In<sub>2</sub>O<sub>3</sub>/NiO sensor exhibited a response of 3.53 toward 200 ppm H<sub>2</sub> at 25 ℃. The good stability, low detection limit (3.36 ppm) and favorable moisture resistance ability (S = 2.6, 200 ppm, 75 RH%) were also studied. Furthermore, the Pd@In₂O₃/NiO sensor exhibited high selectivity to H<sub>2</sub> against typical interfering flammable gases. The enhanced hydrogen sensing performance can be mainly attributed to the unique porous structures and the formation of the Schottky barrier at the material interfaces. This work provides a feasible solution to the room-temperature detection of hydrogen.</div></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":"209 ","pages":"Article 108560"},"PeriodicalIF":7.8,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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Process Safety and Environmental Protection
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