ACS Omega最新文献

{"title":"Evaluating Underground CO2 Storage Potential across Sedimentary Facies of the Michigan Basin","authors":"Nimarta Kaur,&nbsp;Christina Miller,&nbsp;Pablo Sanchez,&nbsp;Emyline Kirda,&nbsp;Alberto Gutiérrez-Vegad,&nbsp;Santiago Aparicio,&nbsp;Ashley Scott,&nbsp;Autumn Haagsma,&nbsp;Ahmad Al-Bodour,&nbsp;Mert Atilhan","doi":"10.1021/acsomega.6c08038","DOIUrl":"https://doi.org/10.1021/acsomega.6c08038","url":null,"abstract":"<p>Rising atmosphericCO₂ concentrations demand scalableand geologically reliable carbon capture and storage solutions. TheMichigan Basin, with its well-characterized Paleozoic sedimentarysequences and proximity to major industrial emission sources, representsa promising target for underground CO₂ storage. This studysystematically evaluates the CO₂ storage potential of ninedistinct sedimentary rock facies retrieved from the Consumers BrineDisposal 139 (BD-139) well, providing a facies-resolved frameworkfor assessing subsurface sequestration capacity. High-pressure isochoricCO₂ adsorption experiments were conducted across threetemperature isotherms (25 °C, 35 °C, and 45 °C) andsix pressure points (10–35 bar), complemented by comprehensivematerial characterization, including Brunauer–Emmett–Teller(BET) surface area analysis, Fourier transform infrared spectroscopy(FTIR), scanning electron microscopy equipped with energy-dispersivespectroscopy (SEM-EDS), and thermogravimetric analysis (TGA). Basedon their inferred mineralogical composition and thermal behavior,the nine facies were classified into three distinct groups: silicate-richorganic-bearing rocks (Group 1), siliciclastic assemblages with asubordinate carbonate component (Group 2), and carbonate-bearing dolomiticfacies (Group 3). Facies 3 exhibited the highest apparent CO₂ uptake, 855.7 mg/g at 35 bar and 25 °C, and all facies gaveheats of sorption below 60 kJ/mol, consistent with predominantly physicalinteractions and with favorable reversibility for storage cycling.Because the measurements were performed on pulverized material, andbecause the apparent uptake of the highest-performing facies exceedsthe volumetric capacity of its own pore system, these quantities arereported and interpreted throughout as apparent isochoric uptake determinedunder identical conditions. They provide a quantitative relative rankingof the facies rather than absolute in situ storage capacities, andthe bounds governing their interpretation are set out in Section 3.5.3.Complementary CO₂ absorption experiments in synthetic brinesolutions yielded a solid precipitate on depressurization, indicatinga potential mineral trapping pathway under high-pressure conditions.The findings establish a direct link between facies-level geologicalheterogeneity and CO₂ storage performance, offering a practicalscreening framework for site selection and reservoir evaluation withinthe Michigan Basin and analogous sedimentary systems.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"63827–63844"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221848","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sustainable Platform for Biologics Delivery from Cellulose Microcrystals","authors":"Phatheera Kachai,&nbsp;Jaturaporn Waenwong,&nbsp;Ansaya Pumchan,&nbsp;Weekit Sirisaksoontorn,&nbsp;Thammanoon Thaweechai,&nbsp;Sasimanas Unajak,&nbsp;Chaiya Prasittichai","doi":"10.1021/acsomega.5c04662","DOIUrl":"https://doi.org/10.1021/acsomega.5c04662","url":null,"abstract":"<p>Cellulose-based materialsare promising biocarriers owing to theirinherent biodegradability, biocompatibility, and low toxicity. Thisstudy demonstrates the potential of microcrystalline cellulose (MCC),synthesized through an acid hydrolysis of cotton using H₂SO₄:H₂O₂ (3:1), followed by a 2,2,6,6-tetramethylpiperidine-1-oxyl(TEMPO)-mediated oxidation process, as a biologics carrier. Hydrolysistime affected the MCC size and morphology, while oxidation introducedcarboxyl groups for functionalization. Chitosan (CHI) was used todecorate the MCC, enhancing its protein-binding ability. The biologicloading capacity of both synthesized MCC and CHI-decorated MCC (MCC/CHI)was evaluated using bovine serum albumin (BSA) as a model protein.Results indicated that MCC/CHI exhibited a more than 22% increasein BSA loading compared with unmodified MCC. Furthermore, the influenceof phosphate on BSA attached to both the MCC and MCC/CHI was investigated.It was observed that the phosphate solution aided in maintaining theBSA configuration, irrespective of pH variations in the solution.As a result, despite the difference in surface properties, a similarpattern of BSA release was observed for both the MCC and MCC/CHI.These findings highlight the potential of functionalized MCC for abiologics delivery system in the future.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62376–62390"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analysis and Modeling of Iron Ore Reduction and Melting Behavior under Blast Furnace Ore-Coke Coupling Conditions","authors":"Mingxin Wu,&nbsp;Jinbo Li,&nbsp;Tingle Li,&nbsp;Qi Wang,&nbsp;Liangping Xu,&nbsp;Guanghui Li,&nbsp;Tao Jiang","doi":"10.1021/acsomega.6c03909","DOIUrl":"https://doi.org/10.1021/acsomega.6c03909","url":null,"abstract":"<p>The efficiency ofblast furnace (BF) ironmaking, a predominantmethod for pig iron production, is profoundly influenced by the reduction-contractionbehavior and melting reduction mechanism of iron ore within the cohesivezone. These factors are critical for optimizing BF operations andenergy utilization, yet remain incompletely understood, particularlyunder ore-coke coupling conditions. This study introduces a novelmethodology to investigate the complex interactions between iron oreand coke, focusing on oxygen and carbon transfer during high-temperaturereduction processes. Results demonstrate that the contraction rateof the iron ore layer is positively correlated with the direct reductionrate prior to melting, whereas inversely related trends emerge duringthe melting process. Postmelting, the contraction rate is governedby the dripping behavior of slag and molten iron permeating throughthe coke layer. The melting reduction mechanism is delineated intotwo distinct stages: the initial stage involves direct reaction betweenFeO and coke, while the subsequent stage is characterized by carbonmonoxide production from the reaction of coke with CO₂,which subsequently permeates into the iron layer, establishing a gasfilm (CO and CO₂) at the coke-iron interface. This researchprovides fundamental insights into the thermal behavior and modelingof iron ore reduction and melting in BFs, offering a robust theoreticalfoundation for enhancing iron ore and coke utilization efficiencywhile reducing carbon emissions.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62667–62676"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"FBMN-Guided Discovery of Cyanogrisides from Mutant Strain CRM005 and Structural Diversification","authors":"Yukang Gao,&nbsp;Yun Luo,&nbsp;Qingyun Wen,&nbsp;Linmeng Chen,&nbsp;Guoliang Zhu,&nbsp;Peng Fu,&nbsp;Peipei Liu,&nbsp;Weiming Zhu","doi":"10.1021/acsomega.6c04357","DOIUrl":"https://doi.org/10.1021/acsomega.6c04357","url":null,"abstract":"<p>Through genome mining and metabolomic analysis of themutant strainCRM005, combined with feature-based molecular networking (FBMN) deduplication,five novel natural cyanogrisides (<strong>1</strong>–<strong>5</strong>) were selectively isolated and characterized, alongside six previouslyreported analogs (<strong>6</strong>–<strong>11</strong>). Antiproliferativeassays demonstrated that cyanogriside K (<strong>8</strong>) exhibitedpotent and selective cytotoxicity against HCT-116 cells, with an IC₅₀ value of 0.70 μM. In an effort to maximize the reutilizationof natural product resources, the major aglycone caerulomycin H (<strong>11</strong>) was utilized to develop a glycosylation system, affordinga small panel of nine glycosylated derivatives (<strong>13</strong>–<strong>21</strong>). Subsequent antiproliferative evaluations facilitateda preliminary structure–activity relationship analysis focusedon variations in the glycosyl groups. Notably, the synthetic compound <strong>13</strong> displayed submicromolar-level activity against the humanglioblastoma cell line SF-126 (IC₅₀ 0.49 μM), surpassingthe activity of doxorubicin (IC₅₀ 0.78 μM). Thesefindings position compound <strong>13</strong> as a promising cytotoxichit derived from a small semisynthetic library and offer preliminaryinsight into how glycosyl modification impacts antiproliferative activity.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62728–62743"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221933","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Role of Membranes in Tissue Regeneration Therapy: State of the Art and Future Perspectives","authors":"Raphael Ferreira da Silva,&nbsp;Renata Ribeiro de Castro,&nbsp;Gabriela Warwar Teixeira,&nbsp;Paula de Souza Soares,&nbsp;Valéria Pereira de Sousa,&nbsp;Carlos Rangel Rodrigues,&nbsp;Flávia Almada do Carmo,&nbsp;Lucio Mendes Cabral","doi":"10.1021/acsomega.6c07202","DOIUrl":"https://doi.org/10.1021/acsomega.6c07202","url":null,"abstract":"<p>Membranes for tissue regeneration are an indispensableclass ofbiomaterials in regenerative medicine, serving as selective barriersand matrices for the reconstruction of various tissues. Essentialcharacteristics for the clinical success of a biomaterial includeits biocompatibility, degradation kinetics, mechanical properties,and bioactivity, which are the focus of this review, with an emphasison the importance of immunomodulation and the host response. The mainclinical applications of this class of biomaterials are directed towardsbone, cartilage, skin, and neural regeneration. In addition to evaluatingthe essential characteristics of these membranes, innovations suchas smart, stimuli-responsive, and bioelectric membranes, as well asadvances in 4D bioprinting, were also addressed. It is concluded that,despite established clinical success, the main challenges lie in overcomingmaterial variability, vascularizing large-volume defects, and translatingadvanced technologies into clinical practice. Future perspectivespoint towards the development of personalized, smart, and bio-instructivemembranes capable of actively orchestrating the regeneration process.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62357–62375"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Oleanolic Acid-Loaded Organosilica Nanoparticles for Synergistic Anti-Inflammatory and Antibacterial Therapy via Inducing Macrophage Polarization","authors":"Xiaopeng Zhou,&nbsp;Huafu Wang,&nbsp;Shuanghu Wang,&nbsp;Wen Ji,&nbsp;Peiwu Geng,&nbsp;Lingna Li,&nbsp;Yueting Li","doi":"10.1021/acsomega.6c07411","DOIUrl":"https://doi.org/10.1021/acsomega.6c07411","url":null,"abstract":"<p>Chronic inflammatorydiseases caused by bacterial infectionsarenotoriously difficult to treat due to the formation of a vicious cyclein which bacterial infection and immune dysregulation mutually reinforceeach other at the lesion site. Current antibiotic therapies face thedual challenges of escalating drug resistance and insufficient immunomodulatorycapacity. Inspired by stimuli-responsive nanodrug delivery systems,we herein constructed a glutathione-responsive dendritic mesoporousorganosilica nanoparticles (DMOS NPs) loaded with oleanolic acid (OA),namely DMOS@OA NPs, aiming to achieve synergistic antibacterial andanti-inflammatory therapy. The DMOS@OA NPs exhibited a uniform hydrodynamicdiameter of approximately 232.1 ± 9.49 nm with typical dendriticspherical morphology, a drug loading capacity of 30.01%, and an encapsulationefficiency of 85.74%. In vitro release experiments demonstrated thatDMOS@OA NPs displayed significant pH-responsive release behavior,achieving a cumulative OA release of 58.98% under acidic conditions(pH 5.5). Furthermore, the DMOS@OA NPs could respond to high concentrationsof glutathione by cleaving tetrasulfide bonds to release therapeutichydrogen sulfide (H₂S). Antibacterial assays revealed thatDMOS@OA NPs exhibited remarkable bactericidal activity against methicillin-resistant <em>Staphylococcus aureus</em> (MRSA), with superior efficacycompared to DMOS NPs and OA, and effectively inhibited bacterial biofilmformation with an inhibition rate of 85.78%. Scanning electron microscopyobservations further confirmed that the DMOS@OA NPs could disruptbacterial membrane integrity, leading to bacterial lysis and death.In vitro anti-inflammatory experiments demonstrated that DMOS@OA NPspossessed good biocompatibility and could significantly downregulatethe expression of the M1 macrophage marker CD86 while upregulatingthe M2 marker CD206, and reduced the secretion of pro-inflammatorycytokines IL-1β and TNF-α, effectively inducing macrophagepolarization from the pro-inflammatory phenotype to the anti-inflammatoryphenotype. In conclusion, we successfully constructed a GSH-responsiveDMOS@OA nanosystem with dual antibacterial and anti-inflammatory functions.Through the synergistic action of H₂S and OA, this nanosystemachieves integrated efficient bactericidal activity and immunomicroenvironmentregulation, providing a highly promising novel nanotherapeutic strategyfor the treatment of chronic infectious inflammatory diseases.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"63510–63519"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"ZIF-8 Nanoparticles: Zinc Ion Release, In Vitro Biocompatibility, and Evaluation in Galleria mellonella","authors":"Nariman Alipanah,&nbsp;Orhan Sisman,&nbsp;Hana Kaňková,&nbsp;Martina Vitázková,&nbsp;José J. Velázquez,&nbsp;Zuzana Neščáková","doi":"10.1021/acsomega.6c05060","DOIUrl":"https://doi.org/10.1021/acsomega.6c05060","url":null,"abstract":"<p>Metal–organic frameworks (MOFs), and ZeoliticImidazolateFramework-8 (ZIF-8) in particular, have found wide application inthe therapeutic field. Their structure, size, and porosity can betuned, and they can be synthesized using various methods. However,their biocompatibility and potential cytotoxicity remain insufficientlyinvestigated. In this study, ZIF-8 nanoparticles were synthesizedat room temperature using a rapid method with methanol as the solventand characterized in terms of their chemical composition, structuralproperties, ion release behavior, and biocompatibility. The Zn ionrelease profile of ZIF-8 particles into Tris-HCl buffer medium wasobtained through inductively coupled plasma optical emission spectroscopy(ICP-OES) under dynamic flow conditions, indicating a gradual andcontinuous release over 48 h. According to <em>in vitro</em> assays, MC3T3-E1 mouse preosteoblast cells maintained high viabilityat concentrations up to 100 μg·mL^–1,while direct exposure of VH10 human fibroblast cells to 100 μg·mL^–1 ZIF-8 reduced metabolic activity without significantmembrane damage. However, no evident toxicity was observed in theeluate-based assay at this concentration. The findings were supportedby the outcomes from the static ion release studies in DMEM cell culturemedium, where ICP-OES showed that the level of Zn cations was lowerthan 9.5 μg·mL^–1 in 100 μg·mL^–1 ZIF-8 samples. The DNA fragmentation assay also indicatedno detectable fragmentation at 100 μg·mL^–1, suggesting the absence of apoptotic DNA damage in MC3T3-E1 cellsunder indirect exposure conditions. In addition, ZIF-8 was evaluated <em>in vivo</em> using the <em>Galleria mellonella</em> larval model, and samples up to 100 μg·mL^–1 showed 100% survival and only minor reductions in health index score.The study underscores the importance of selecting appropriate methodsfor biocompatibility assessment, while also demonstrating the cytocompatibilityof the investigated ZIF-8 nanoparticles, which may be associated withthe relatively low measured Zn ion release.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62955–62972"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Direct Quantitation of Psilocybin and Psilocin by 1H and 31P qNMR in Wild Psilocybe from Greece","authors":"Evangelos Dadiotis,&nbsp;Romanos K. Antonopoulos,&nbsp;Antigoni Cheilari,&nbsp;Alexandra M. Kortsinoglou,&nbsp;Eleni Melliou,&nbsp;Vangelis Mitsis,&nbsp;Kostas Ioannidis,&nbsp;Babumon Thankappan,&nbsp;Rupika Delgoda,&nbsp;Zacharoula Gonou-Zagou,&nbsp;Prokopios Magiatis","doi":"10.1021/acsomega.5c13069","DOIUrl":"https://doi.org/10.1021/acsomega.5c13069","url":null,"abstract":"<p>The genus <em>Psilocybe</em> (Basidiomycota) comprisesover 300 mushroom-forming species, many of which produce the secondarymetabolite psilocybin, a prodrug of its dephosphorylated active metabolitepsilocin. Psilocybin has recently attracted significant interest,with numerous active, recruiting, and completed clinical trials registeredon ClinicalTrials.gov, primarily investigating its therapeutic potentialin central nervous system disorders. Nonetheless, psilocybin remainsa controlled substance in many jurisdictions, posing regulatory andlegal challenges, not only for clinical research but also for forensicanalysis, standardization, and quality control, since it is requiredas a reference material in chromatographic analyses. To this end,qNMR-based methods for rapid quantitation of psilocybin and psilocinwere developed using wild-origin <em>Psilocybe</em> fruitbodies,preserved in the Dried Specimen Collection of the Mycetotheca ATHUM(NKUA). A dephosphorylation step was employed to convert psilocybinto psilocin, followed by GC-MS analysis, confirming its presence inmycelium of the isolated strains. Both native and dephosphorylatedextracts were analyzed by ¹H and ³¹P qNMR inD₂O using calcium formate and dimethyl methylphosphonateas internal standards, respectively. To the best of our knowledge,this represents the first officially documented occurrence of a psychoactive <em>Psilocybe</em> species from Greece in the peer-reviewed scientificliterature as well as the application of reference-standard-free qNMRmethods for the quantitation of a psilocybin- and psilocin-containingfungus.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62412–62423"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Formation Mechanism and Semi-Quantitative Threshold Assessment of Metal-Induced Gel-like Agglomerate Blockages in Slickwater Fracturing Fluids","authors":"Junlin Wu,&nbsp;TianBo Liang,&nbsp;Tianhao Gu,&nbsp;Fangzhou Xu,&nbsp;Hao Bai,&nbsp;Shuchang Jia,&nbsp;FuJian Zhou,&nbsp;ErDong Yao","doi":"10.1021/acsomega.6c07458","DOIUrl":"https://doi.org/10.1021/acsomega.6c07458","url":null,"abstract":"<p>The reuse of flowbackwater in slickwater fracturing can introduceelevated concentrations of dissolved metal ions, intensifying theincompatibility between polyacrylamide-based friction reducers andmultivalent metal ions and promoting the formation of rubbery gel-likeagglomerates, commonly referred to as “gummy bears”.These agglomerates can adversely affect flowback, surface fluid handling,and well productivity. In this study, field sample characterizationand laboratory simulation are combined to investigate the compositionand formation mechanism of such gel-like agglomerates. The resultsshow that these materials are not simple polymer residues, but polymer–inorganiccomposites composed of polyacrylamide components, metal ions, andinorganic particles, with Fe³⁺ and Al³⁺ playinga particularly important role in their formation. Furthermore, a molar-ratio-basedsemiquantitative method is introduced to describe the relationshipbetween metal-ion loading and effective polymer reactive sites, andto predict the threshold for gel-like agglomeration. The results improvethe understanding of polymer–metal incompatibility under flowbackwater conditions and provide practical guidance for risk evaluation,fluid design, and mitigation of gummy-bear formation in field operations.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"63579–63594"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Upper Flammability Limits of Methane/Air Mixtures at Elevated Temperature and Pressure","authors":"Yue Wang,&nbsp;Jinfeng Mao,&nbsp;Afang Gu,&nbsp;Chang Yuan,&nbsp;Chang Qi","doi":"10.1021/acsomega.6c03983","DOIUrl":"https://doi.org/10.1021/acsomega.6c03983","url":null,"abstract":"<p>Methane/air mixturesin preheated and pressurized processequipmentmay exhibit a broadened flammability envelope, which is critical forexplosion-hazard assessment and safety-envelope definition. Reliableupper flammability limit (UFL) data under elevated-temperature andelevated-pressure conditions are therefore needed for methane-relatedindustrial systems. In this work, the UFLs of methane/air mixtureswere measured in a 20 L closed spherical vessel at initial temperaturesof 25–100 °C and pressures of 0.1–1.0 MPa in accordancewith EN 17624:2022 and GB/T 42368–2023. Within the investigatedrange, the UFL increases approximately linearly with temperature andlogarithmically with pressure. Under simultaneous temperature andpressure elevation, the increase in UFL is greater than that estimatedfrom the simple superposition of their individual effects, indicatinga non-negligible interaction between the two parameters. Based onthe full experimental matrix, an empirical correlation incorporatinga temperature–pressure interaction term is proposed to representthe UFL surface and shows good agreement with the experimental data.Chemical-kinetic simulations using USC Mech II were performed to assistinterpretation of the experimental trends. The normalized sensitivityanalysis identifies temperature-promoted branching pathways and pressure-enhancedradical stabilization/recombination pathways as the principal competingkinetic tendencies near the UFL. The present work provides a protocol-compliantmethane/air UFL data set and a practical correlation for preheatedand pressurized methane systems.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62677–62688"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}