Industrial & Engineering Chemistry Research最新文献

{"title":"Impact of Reaction Conditions on Product Distribution in Oxidative Dehydrogenation of Ethane over MoVNbTeOx Catalysts","authors":"Yannick Weis,&nbsp;Martin Schubert,&nbsp;Andreas Meiswinkel,&nbsp;Sebastian Böcklein,&nbsp;Klaus Wanninger,&nbsp;Gerhard Mestl,&nbsp;Sebastian Rehfeldt,&nbsp;Harald Klein","doi":"10.1021/acs.iecr.6c02345","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c02345","url":null,"abstract":"<p>Oxidative dehydrogenation of ethane over MoVNbTeO_<em>x</em> catalysts offers a less carbon-intensivealternative to steamcracking. This work systematically examines the effects of catalystbed inert dilution, reactor inlet pressure, molar steam-to-ethanefeed ratio, coolant temperature, and weight hourly space velocityon ethane conversion and product distribution under both kineticallyoriented, pseudo-isothermal conditions and process-relevant, non-isothermalconditions. Comparative tests confirm that trends observed under pseudo-isothermalconditions persist under process-relevant operating conditions, validatingtheir industrial significance. Increasing the reactor inlet pressurepromotes acetic acid formation, whereas a higher weight hourly spacevelocity favors ethylene selectivity by limiting secondary oxidation.An optimal steam-to-ethane ratio prevents catalyst deactivation whilemaintaining a high catalytic activity. The ethylene yield reachesa maximum at intermediate steam-to-ethane ratios, whereas the aceticacid yield increases continuously throughout the investigated range.Apparent activation energies determined from quasi-isothermal experimentsfurther indicate a stronger temperature dependence of ethylene formationthan that of acetic acid formation. Notably, the steam partial pressurein the wet product gas is the key parameter determining the molarproduct ratio of ethylene to that of acetic acid. It modulates thedegree of coverage of the catalyst surface with water and thus shiftsthe balance between active sites for ethylene or acetic acid production,enabling a robust basis for the process control strategies. Additionalexperiments comparing ethane and ethylene oxidation highlight therole of ethylene in the formation of trace products methane and acetylene,detected at ethane conversions above 20%. These findings provide amechanistic basis for tuning catalytic activity and product distributionthrough targeted adjustment of key process variables under industriallyrelevant conditions.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21525–21541"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173350","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transition Bands in Gas–Liquid Microchannel Flows: Nonlinear Dynamics, Predictive Modeling, and Implications for Microreactor Design and Process Intensification","authors":"Wendong Wang,&nbsp;Yujie Mei,&nbsp;Muhammad Ali,&nbsp;Keyao Lin,&nbsp;Wenhan Wang,&nbsp;Weihong Liu,&nbsp;Shengyou Lei,&nbsp;Lanlan Jiang,&nbsp;Ning Wei","doi":"10.1021/acs.iecr.6c03314","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c03314","url":null,"abstract":"<p>A gas–liquidmicroreactor can be operated insidea nominallystable flow regime and still produce irreproducible transport andreaction histories when its operating point lies close to an unresolvedtransition interval. Conventional regime maps are useful for classifyingbubbly, Taylor, annular, and parallel flows, but their sharp boundariescan conceal finite transition bands in which interfacial states coexist,switch intermittently, evolve downstream, or depend on the operatinghistory. In these intervals, small changes in local bubble formationor liquid-film renewal can propagate into altered residence time histories,pressure responses, and eventually channel-to-channel maldistributionduring numbering-up. Transition bands are therefore more than ambiguousmargins in flow pattern maps; they are process-relevant operatingintervals that can set practical limits on transport reproducibility,output uniformity, and scale-up reliability. This Review synthesizesthe physical mechanisms, characterization methods, and predictivestrategies needed to identify and quantify such intervals, with emphasison transition-width definition, uncertainty-aware prediction, andphysics-data-experiment integration. It then translates this transition-bandperspective into objective-dependent engineering strategies: avoidinghigh-uncertainty intervals when stable operation is required and deliberatelyexploiting bounded interfacial restructuring when transport intensificationis beneficial. By connecting interfacial state dynamics with operatingwindow design, process response variability, and scale-up robustness,this review provides a transition-band-aware framework for reliablegas–liquid microreactor operation and process intensification.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21357–21386"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In Situ 3D Crystal Growth Measurement: Unravelling the Nature of Crystal Face-Specific Growth Rate Dispersion in α-Form l-Glutamic Acid","authors":"Chen Jiang,&nbsp;Thomas P. Ilett,&nbsp;Thomas A. Hazlehurst,&nbsp;Cai Y. Ma,&nbsp;David C. Hogg,&nbsp;Kevin J. Roberts","doi":"10.1021/acs.iecr.6c02035","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c02035","url":null,"abstract":"<p>Obtaining 3D crystal morphology and its evolution duringgrowthis beneficial for crystallization process design. A newly developedimage analysis tool is used to reconstruct the complex 3D morphology(20 habit faces in 6 forms) of α form <span>l</span>-glutamic acidcrystals from 2D transmission microscopy images captured in situ duringthe growth process. A digital crystallographically based polyhedralmesh is fitted to experimental images, enabling calculation of face-specificgrowth rates. Solution supersaturation during the growth process isestimated using the fitted crystal volume together with solubilityand density data. The data reveals significant growth rate dispersion,reflecting differences in the local solution environment, with {110}and {100} faces growing fastest and {001} the slowest. For our experiments,mechanistic analysis is consistent with surface integration-limitedgrowth, which aligns with the BCF model, except for the {111} and{001} surfaces, which are mass transfer limited under the B&amp;Smodel.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21697–21713"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173958","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental Study of Deep Eutectic Solvents for Chemical Enhanced Oil Recovery in Harsh Reservoir Conditions: Effects on Interfacial Tension, Wettability, and Core Flooding Performance","authors":"Babak Bahrami,&nbsp;Mehdi Escrochi,&nbsp;Rafat Parsaei,&nbsp;Sina Hosseinzadeh","doi":"10.1021/acs.iecr.6c01953","DOIUrl":"10.1021/acs.iecr.6c01953","url":null,"abstract":"<p>The growing global energy demand and steady decline ofthe conventionallyavailable reserves have increased reliance on enhanced oil recovery(EOR) to mobilize residual oil, especially in oil-wet carbonates withharsh reservoir conditions. In this study, three deep eutectic solvents(choline chloride–citric acid (ChCl–CA), choline chloride–urea(ChCl–U), and zinc chloride–urea (ZnCl₂–U))were assessed as chemical EOR agents under reservoir-relevant conditions.Interfacial tension (IFT) and contact angle measurements were performedat high temperature and pressure (100 to 5000 psi) and brine chemistry(seawater vs high-salinity formation water), followed by tertiarycore flooding. All deep eutectic solvents (DES) reduced oil–waterIFT and shifted wettability toward less oil-wet conditions, with strongerresponses at higher DES concentrations. Pressure provided an additional,consistent IFT reduction, supporting better performance under realisticreservoir pressures. Brine composition was decisive: seawater generallyenhanced DES effectiveness, whereas the ZnCl₂–Usystem showed incompatibility in sulfate-rich seawater due to precipitation.Core floods confirmed that ChCl–CA delivered the highest tertiaryrecovery, increasing oil recovery by 17.85% of original oil in placein seawater and 15.30% in formation water. These increments correspondedto relative increases of 67.8% and 61.2%, respectively, compared withthe corresponding secondary waterflood recovery. These results highlightthat the improved performance of acidic DES under the tested conditionsis related to the combined contribution of moderate IFT reduction,wettability alteration, and possible carbonate rock alteration/reactivity,offering an effective alternative to conventional chemical agentsunder harsh reservoir conditions. It is finally concluded that theacidic and multifunctional DESs such as ChCl–CA can be consideredas promising EOR agents for industrial applications.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21615–21631"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Surface Morphology and Shear Effect on a Lubricated Granular System","authors":"Ravindra S. Ghodake,&nbsp;Ashish V. Orpe","doi":"10.1021/acs.iecr.6c03774","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c03774","url":null,"abstract":"<p>Improving the particle surface frictionalbehavior is of considerableimportance in several industries so as to manipulate powder flowabilityand handling. In this work, we have studied the lubrication phenomenain an assembly of flowing bulk powder particles in the presence ofa fine powder lubricant. Experiments were conducted in two differentshear environments, for two different levels of confinement, and usingthree different bulk powder particles having distinct surface morphologies.The added lubricant particles tend to adhere to the surface of bulkparticles, thereby altering their surface morphology. This resultsin altered interparticle friction, which typically reduces for smalladdition of lubricants but increases on its excess addition, therebyaltering the particle flowability. While this behavior is generallyunderstood through previous studies, the current work explores howthe effects of confinement, shear environment, and particle surfacecharacteristics combine in a unique manner to provide modified flowbehavior for different lubricant concentrations. An extended shearduration seems to extend the range of lubricant concentrations forimproved flowability. On the other hand, flow confinement seems tolimit the extent of lubrication for these ranges of concentrations.Both of these opposing effects also exhibit a unique dependence onthe particle surface morphology and its seeming affinity with thelubricant particle. The parameter types and ranges explored comprisemost conditions encountered in industrial systems, the outcome therebyproviding a basis for designing applications handling lubricant–particlemixtures.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21859–21871"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Photocatalytic Oxidative Denitrogenation of Fuels Using Hydrochar-Hybridized Nano-TiO2 Supported on Lava Particles","authors":"Weichi Liu,&nbsp;Mingrui Cao,&nbsp;Jirong Li,&nbsp;Fengfeng Lv,&nbsp;Xin Jin,&nbsp;Jinli Zhai,&nbsp;Guangrong Liu,&nbsp;Kai Xiong,&nbsp;Feifei He,&nbsp;Qiang Huang","doi":"10.1021/acs.iecr.6c02553","DOIUrl":"10.1021/acs.iecr.6c02553","url":null,"abstract":"<p>Photocatalytic oxidation enables efficient removal ofnitrogen-containingimpurities from fuels under mild reaction conditions and with solarenergy. However, it faces challenges such as low light utilization,insufficient carrier separation, and incompatibility between powdercatalysts and supporting infrastructure. The current study developeda macroscopic photocatalyst utilizing lava rock-supported hydrochar-hybridizedTiO₂ nanoparticles (HC/TiO₂@LPs). The photocatalyticoxidative denitrogenation was evaluated on simulated and actual oilsamples, yielding favorable results. This study employed X-ray diffraction,Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy,transmission electron microscopy, and scanning electron microscopyto characterize the physicochemical properties of HC/TiO₂@LPs and used ultraviolet–visible diffuse reflection spectroscopy,photoluminescence, and transient photocurrent response to analyzethe optical and photoelectric properties. Under visible-light irradiation,the efficiency of the HC/TiO₂@LPs-H₂O₂ system for removing N-heterocyclic compounds from <em>n</em>-nonane model oil was investigated, and the reaction conditions wereoptimized. The types and relative contributions of reactive oxygenspecies (ROS) in the system were identified using electron paramagneticresonance and radical quenching experiments. The results demonstratethat HC/TiO₂ uniformly coats the surface of lava particles,enhancing both light absorption and photogenerated carrier separation.The reaction system generates ROS, including ^•OH, ^•O₂^–, and ¹O₂, which contribute about 42.1, 33.9, and 24.0%, respectively,to the degradation of quinoline, demonstrating an oxidative processinvolving the synergistic action of multiple active species. The effectivenessand cycling stability of the macroscopic catalyst loaded with naturalporous minerals for actual diesel denitrogenation show the feasibilityand practicality of the Vis-HC/TiO₂@LPs-H₂O₂ system in large-scale green petroleum processing.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21555–21563"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149091589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanowire-Threaded NiZn Layered Double Hydroxide Nanocage Heterostructures for High-Performance Supercapacitors","authors":"Xu Zhang,&nbsp;Hongyuan Hu,&nbsp;Xu Fu,&nbsp;Ying Chen,&nbsp;Yingyuan Zhao,&nbsp;Anpeng Su,&nbsp;Lu Song,&nbsp;Ruichen Zhai,&nbsp;Anmin Liu","doi":"10.1021/acs.iecr.6c02681","DOIUrl":"10.1021/acs.iecr.6c02681","url":null,"abstract":"<p>Layered double hydroxides (LDHs), featuring tunable compositionsand unique layered structures, have been widely investigated as electrodematerials for supercapacitors. However, their electrochemical performanceis often limited by intrinsically low electrical conductivity andinsufficient exposure of electrochemically active sites. Herein, Co-carbonatehydroxide (Co-CH) nanowire-threaded NiZn layered double hydroxide(NiZn-LDH) nanocage heterostructures are rationally constructed, inwhich one-dimensional Co-CH nanowires physically pass through andinterconnect multiple hollow NiZn-LDH nanocages. The Co-CH nanowiresform a one-dimensional backbone favorable for electron transport,while the electronically coupled Co-CH/NiZn-LDH interfaces promoteinterfacial charge redistribution and electronic-structure modulation,with complementary analyses supporting their p–n heterojunctioncharacteristics. The hollow nanocages provide internal voids and porouschannels that facilitate electrolyte penetration and ion accessibility.As a supercapacitor electrode, Co-CH@NiZn-LDH delivers a specificcapacitance of 1805 F g^–1 at 1 A g^–1, approximately 78% higher than that of pristine NiZn-LDH (1015 Fg^–1), and exhibits a capacitance retention of 76%at 30 A g^–1, compared with 34% for NiZn-LDH. Furthermore,the assembled Co-CH@NiZn-LDH//AC asymmetric supercapacitor achievesan energy density of 68 Wh kg^–1 at a power densityof 800 W kg^–1. This work provides a nanowire-threadednanocage heterostructure design strategy that integrates one-dimensionalbackbones, ion-accessible hollow LDH nanocages, and electronicallycoupled heterointerfaces for high-performance supercapacitor electrodes.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21632–21642"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Data-Centric Diagnostic Framework for Experimental Design and Mechanistic Modeling: Application to mRNA Production","authors":"Ioanna Kalospyrou,&nbsp;Farshid Babaei,&nbsp;Erly Sintya,&nbsp;Zoltán Kis,&nbsp;Joan Cordiner,&nbsp;Solomon Brown","doi":"10.1021/acs.iecr.6c02860","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c02860","url":null,"abstract":"<p>In this study, wepresent a data-centric framework for the integratedinvestigation of experimental behavior and mechanistic model performancein complex biochemical systems. The framework is demonstrated on the <em>in vitro</em> transcription (IVT) reaction for mRNA production.Rather than analyzing experimental data and mechanistic models independently,the framework links experimental-response surrogate modeling, a surrogatemodel of error characterizing model–experiment discrepancy,and mechanistic parameter sensitivity within a unified workflow. GaussianProcess Regression (GPR) and Global Sensitivity Analysis (GSA) arefirst used to interrogate experimental data, identify statisticallyanomalous observations, and characterize the process variables andinteractions governing the response. Predictions from the resultingexperimental-response surrogate are then compared with those of anexisting mechanistic model, and the resulting discrepancy is representedthrough a surrogate model of error and subjected to GSA. Finally,the process-level drivers of this discrepancy are cross-compared withsensitivities of the mechanistic kinetic parameters, thereby linkingexperimental and mechanistic information to prioritize subsequentinvestigation. The experimental-response surrogate achieved an <em>R</em>² of 0.90, with MgOAc and NTP concentrationsdominating variation in mRNA yield and incubation time contributingprincipally through interactions. The surrogate model of error achievedan <em>R</em>² of 0.86 and identified NTP, MgOAc,T7-RNA polymerase, and selected interactions as the principal contributorsto the discrepancy between mechanistic and experimental-surrogatepredictions. Cross-comparison with mechanistic parameter sensitivitiessubsequently prioritized the Mg degradation rate constant (<em>k</em>_<em>Mg</em>), DNA equilibrium constant(<em>K</em>_<em>DNA</em>), Mg saturationconstant (<em>k</em>₁), and transcription rateconstant (<em>k</em>_<em>app</em>), togetherwith their associated model components, for further investigation.The resulting framework provides a systematic basis for directingsubsequent repeat or targeted experimentation, parameter recalibration,and structural model refinement.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21733–21745"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-Entropy Spinel Oxide as Highly Effective Catalysts for the Catalytic Combustion of Volatile Organic Compounds","authors":"Meiyu Shi,&nbsp;Wenli Gao,&nbsp;Kaixing Ru,&nbsp;Qiang Niu,&nbsp;Yuan Shu,&nbsp;Pengfei Zhang","doi":"10.1021/acs.iecr.6c02459","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c02459","url":null,"abstract":"<p>Volatile organic compounds (VOCs) such as propylene representamajor category of pollutants threatening environmental safety andhuman health. Catalytic combustion is a promising solution, yet designinghighly active and stable catalysts remains a challenge. In this work,a high-entropy spinel oxide (Ni_0.2Mg_0.2Cu_0.2Mn_0.2Co_0.2)Al₂O₄ was synthesized via a sol–gel method. The results demonstratedthat the (Ni_0.2Mg_0.2Cu_0.2Mn_0.2Co_0.2)Al₂O₄ calcined at 700 °Cexhibited uniform elemental distribution and a high specific surfacearea of 110.2 m²/g. The catalyst exhibited a higher concentrationof surface-reactive oxygen species and moderate C₃H₆ adsorption energy. For the catalytic combustion of propylene(C₃H₆), the catalyst achieved superior activity,a low apparent activation energy of 64.76 kJ/mol, and it maintainedstable catalytic performance over 400 h without obvious deactivation.DFT calculations indicated that the high-entropy sample has the lowestoxygen vacancy formation energy. This study provided a promising strategyfor designing high-performance non-noble metal catalysts for propyleneelimination, highlighting the significant potential of high-entropyspinel oxides in industrial catalytic applications.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21542–21554"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149173706","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Estimating Boil-Off Gas Generation in Industrial Cryogenic Storage Tank during Unloading Operations Using CFD Models","authors":"Suraj Prakash Singh,&nbsp;Rajagopalan Srinivasan,&nbsp;Iftekhar A. Karimi","doi":"10.1021/acs.iecr.6c03155","DOIUrl":"https://doi.org/10.1021/acs.iecr.6c03155","url":null,"abstract":"<p>Unloading liquefied natural gas (LNG)from ships is a criticaloperation carried out at receiving terminals that act as a bridgebetween LNG exporters and end users. During unloading, a significantamount of boil-off gas (BOG) is generated, which if not managed effectivelymay compromise tank integrity and process safety. Computational fluiddynamics (CFD) models are commonly used to study the dynamics of BOGgeneration in LNG tanks. Existing models often rely on oversimplifiedgeometries which restrict their ability to accurately represent keyphenomena during unloading. In this work, we propose a unified CFDmodel that can be used to study top- and bottom-unloading as wellas holding mode operation. The proposed axisymmetric 2D model usesa concentric inlet–outlet configuration which enables realistic3D representation with high computational efficiency. Using this model,we compare the BOG generation during unloading against a baselineholding-mode operation. Our results demonstrate that top-unloadingleads to a significant (up to 18×) increase in BOG generationdue to flashing of the incoming LNG. Further, initial tank pressureis identified as the dominant controlling parameter; in contrast,the initial LNG level and density exhibit only a weak influence onthe boil-off rate (BOR). A correlation has been established betweentank pressure and BOR, with an 8.3% decrease in BOR for every 10 kPaincrease in tank pressure. This correlation can serve as a practicaltool for estimating BOR under various unloading conditions and providesrecommendations to operators for managing BOG effectively, therebyminimizing flaring and energy consumption.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 40","pages":"21746–21760"},"PeriodicalIF":3.9,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149174042","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}