ACS Engineering Au最新文献

{"title":"Modeling Fixed Bed Reactors of Open-Cell Foam Pellets as Porous Media","authors":"Govind Venaram Tak,&nbsp; and ,&nbsp;Himanshu Goyal*,&nbsp;","doi":"10.1021/acsengineeringau.4c0005810.1021/acsengineeringau.4c00058","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00058https://doi.org/10.1021/acsengineeringau.4c00058","url":null,"abstract":"<p >Traditional fixed-bed reactors use pellets that only allow species transport through diffusion, not convection. However, using highly porous pellets, such as open-cell foams, allows bulk gas to move through them. Such a fixed bed results in a lower pressure drop and intimate contact between the gas and solid phases, which is desirable for catalytic reactions and adsorption processes. A common strategy for modeling fixed beds is to use the porous medium assumption, where the gas and solid phases are represented as an effective porous medium. This approach necessitates several effective properties calculated using analytical relations for simple geometries and empirical correlations for complex geometries. However, such a representation for a fixed bed of highly porous pellets is unavailable. This study addresses this problem by developing a mathematical framework for a fixed bed reactor of open-cell foam pellets as a porous medium. To this end, the volume averaging and asymptotic averaging techniques are employed. The governing equations for the porous medium (continuum) model are developed based on the volume averaging technique, and the effective properties are calculated using the unit cell simulations. The developed mathematical framework is assessed against three-dimensional particle-resolved simulations for linear and nonlinear catalytic kinetics and CO₂ adsorption. For all the test cases, the developed framework can reproduce the pressure drop and species concentration predicted by the particle-resolved simulations with orders of magnitude reduction in the simulation time.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 2","pages":"154–167 154–167"},"PeriodicalIF":4.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00058","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832882","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Periodic Open Cellular Structures with Streamlined Elliptical Struts for the Intensification of Mass Transfer-Limited Catalytic Reactors","authors":"Claudio Ferroni,&nbsp;Mauro Bracconi,&nbsp;Matteo Ambrosetti,&nbsp;Gianpiero Groppi,&nbsp;Matteo Maestri and Enrico Tronconi*,&nbsp;","doi":"10.1021/acsengineeringau.4c0005710.1021/acsengineeringau.4c00057","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00057https://doi.org/10.1021/acsengineeringau.4c00057","url":null,"abstract":"<p >We envision periodic open cellular structures (POCS) with streamlined elliptical struts as potential intensified structured catalytic supports. Streamlined elliptical struts aligned to the flow direction substitute conventional cylindrical ones, aiming at reducing the pressure drop while increasing the surface area for catalyst deposition. Reactive computational fluid dynamics simulations are employed for the fundamental investigation of mass transfer coefficients and friction factors. The effects of the design parameters (i.e., porosity ε, angle between the struts’ axis and the streamwise direction α and elliptical strut elongation <i>R</i>) are evaluated. The POCS transport properties are significantly affected by increasing ellipse elongation <i>R</i> and decreasing the angle α. For low <i>R</i>, the same Sherwood number and friction factor are obtained as those for the regular diamond lattice with circular struts. For high elongation, the geometry approaches a honeycomb-like shape, and the properties of the honeycomb are recovered as asymptotic conditions. Decreasing α results in a streamlined structure with a reduced friction factor and a reduced transport coefficient, consistent with previous observations for POCS with circular struts. The effects of α and <i>R</i> on the transport coefficient and friction factor cannot be decoupled from individual contributions. To address this complexity, a machine learning-aided approach was proposed for the prediction of the mass transfer coefficients and friction factors of the POCS as a function of the design parameters. POCS with intensified properties are characterized by a 2-fold larger trade-off index between transport coefficient and pressure drop than the state-of-the-art honeycomb. These advantages are manifested across various operating conditions and design parameters of the POCS, showcasing its high flexibility in manufacturing.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 2","pages":"168–182 168–182"},"PeriodicalIF":4.3,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00057","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Potential of Sorption-Enhanced Ammonia Synthesis−An Equilibrium and Reactor Modeling Study","authors":"Theresa Kunz,&nbsp;Thomas Cholewa and Robert Güttel*,&nbsp;","doi":"10.1021/acsengineeringau.4c0005610.1021/acsengineeringau.4c00056","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00056https://doi.org/10.1021/acsengineeringau.4c00056","url":null,"abstract":"<p >Ammonia production is one of the most important industrial chemical processes, but the synthesis reaction is strongly limited by chemical equilibrium. This is commonly compensated by applying high pressures, but large recycle ratios and purging losses are still unavoidable. Equilibrium limitations can alternatively be evaded by sorption enhancement, where NH₃ is selectively removed from the reaction mixture by a solid sorbent material. One material class commonly applied in this approach are metal halides like MgCl₂, as they typically show high NH₃ capacity even at elevated temperatures. In this study, a thermodynamic equilibrium model based on Gibbs energy minimization is established that is able to predict the simultaneous NH₃ synthesis and sorption equilibrium. After parametrization for metal chloride-based sorbents, the model is used to estimate the potential effect of sorption enhancement on the NH₃ synthesis in equilibrium. For kinetic studies under realistic operating conditions, a reactor model was established using kinetics for both iron and ruthenium-based catalysts. Simulations reveal that near-full conversion is possible in sorption-enhanced NH₃ synthesis under a wide range of realistic operating conditions. At thermodynamically unfavorable conditions, the process benefits from overstoichiometric amounts of sorbent as this keeps the sorbent saturation low and thus increases the sorption driving force. The integration of a sorbent material into the NH₃ synthesis reaction was shown to result in increased conversion, but at the same time also allows for a higher NH₃ formation rate. An increase in H₂ conversion by up to 550% was found at 350 °C, 100 bar, 15,000 h^–1 for twice the stoichiometrically required sorbent. While it has been demonstrated experimentally before, these findings quantify and emphasize the vast potential of sorption-enhanced NH₃ synthesis under a wide range of conditions.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 2","pages":"140–153 140–153"},"PeriodicalIF":4.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00056","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Celebrating 5 Years of the ACS Au Journal Family","authors":"Paul D. Goring,&nbsp;Amelia Newman,&nbsp;Christopher W. Jones* and Shelley D. Minteer*,&nbsp;","doi":"10.1021/acsengineeringau.5c0001310.1021/acsengineeringau.5c00013","DOIUrl":"https://doi.org/10.1021/acsengineeringau.5c00013https://doi.org/10.1021/acsengineeringau.5c00013","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 2","pages":"67–69 67–69"},"PeriodicalIF":4.3,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.5c00013","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A 2D Numerical Modeling Study of Slag Splashing in a Basic Oxygen Steelmaking Furnace","authors":"Raju Chowdhury,&nbsp;Geoffrey Evans,&nbsp;Tom Honeyands,&nbsp;Brian J Monaghan,&nbsp;David Scimone and Subhasish Mitra*,&nbsp;","doi":"10.1021/acsengineeringau.4c0003910.1021/acsengineeringau.4c00039","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00039https://doi.org/10.1021/acsengineeringau.4c00039","url":null,"abstract":"<p >Wearing of the inner refractory lining in a basic oxygen steelmaking (BOS) furnace occurs due to the harsh operating conditions, which reduces the useful life of the refractories and incurs a significant cost component for relining. The lifespan can be prolonged by forming a protective coating layer on the refractory walls by using the retained slag splashing technique. In this study, an Eulerian-Eulerian multiphase computational fluid dynamics (CFD) model was developed to (i) identify the potential wear-prone zones in an industrial-scale BOS system during the supersonic oxygen blowing phase by quantifying the wall shear stress distributions and (ii) simulate the retained slag splashing process by introducing an inert gas to the retained slag mass to achieve a protective coating on the refractory walls. Two distinct lance head configurations comprising six nozzles and five nozzles were used to predict the potential wear-prone zones. Both the lance head designs and lance positions were found to influence the coating area. An increase in the retained slag volume was noted to augment the coating area substantially. An optimal lance position was identified within the physical constraints, wherein the maximum coated area was achieved for all operating conditions. The bottom bubbling process through the tuyeres on the furnace floor was also found to affect the wall coating performance.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 2","pages":"98–114 98–114"},"PeriodicalIF":4.3,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00039","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metabolic Engineering of Yarrowia lipolytica for Conversion of Waste Cooking Oil into Omega-3 Eicosapentaenoic Acid","authors":"Jiansong Qin,&nbsp;Na Liu,&nbsp;Umer Abid,&nbsp;Sarah M. Coleman,&nbsp;Yongdan Wang,&nbsp;Qiang Fu,&nbsp;Seongkyu Yoon,&nbsp;Hal S. Alper* and Dongming Xie*,&nbsp;","doi":"10.1021/acsengineeringau.4c0005310.1021/acsengineeringau.4c00053","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00053https://doi.org/10.1021/acsengineeringau.4c00053","url":null,"abstract":"<p >Omega-3 polyunsaturated fatty acids (PUFAs), especially eicosapentaenoic acid (EPA, C20:5), are crucial dietary fats known for their numerous health benefits. However, traditional sources of EPA, like fish oil, raise sustainability and environmental concerns, underscoring the need for alternative production methods. The engineered oleaginous yeast <i>Yarrowia lipolytica</i> has emerged as a promising candidate for sustainable production of EPA. This study explores the efficient production of EPA with an earlier engineered<i>Y. lipolytica</i> strain Y8412, utilizing waste cooking oil (WCO) as an alternative carbon source. While cofeeding WCO resulted in increased total lipid content, it also caused an increase in intracellular free fatty acid (FFA) levels, which can be toxic to cells and reduce EPA synthesis. To solve this issue, we first overexpressed <i>FAA1</i> and <i>GPD1</i> genes converting excess FFAs into triglycerides (TAGs). Additionally, we knocked out <i>TGL3</i>/<i>4</i> genes, which encode lipases linked to lipid bodies, to minimize the degradation of TAGs back into FFAs. The modified strains significantly reduced intracellular FFA levels and improved EPA production. Notably, the <i>TGL4</i> knockout strain Y8412T4^– showed 57% increase in EPA production titer and nearly 50% increase in carbon conversion yield compared to the parental strain Y8412 fed with glucose only. These findings suggest that preventing TAG degradation by knocking out <i>TGL4</i> is an effective approach for enhanced EPA production when WCO is used to partially replace glucose as the carbon source. This study offers an effective engineering strategy for low-cost, high-yield, and sustainable production of omega-3 fatty acids from waste feedstocks.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 2","pages":"128–139 128–139"},"PeriodicalIF":4.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00053","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Single Atom and Nanocluster Photocatalysts for Hydrogen Peroxide Synthesis under Visible Light","authors":"Williams Kweku Darkwah*,&nbsp;Alfred Bekoe Appiagyei,&nbsp;Samuel Nartey Kofie,&nbsp;Samuel Twum Akrofi,&nbsp;Daniel Adjah Anang,&nbsp;Godfred Kwesi Teye and Joshua Buer Puplampu*,&nbsp;","doi":"10.1021/acsengineeringau.4c0001710.1021/acsengineeringau.4c00017","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00017https://doi.org/10.1021/acsengineeringau.4c00017","url":null,"abstract":"<p >The utilization of single-atom and nanocluster catalysis in various chemical processing industries and applications is well-established. Their monodispersity and well-defined arrangement facilitate their interrogation of the fundamental physical properties necessary for the significant application in structural composites, electrical devices and catalytic chemical reactions, particularly in high-temperature environments. Hydrogen peroxide (H₂O₂) stands out as a highly effective oxidizing agent, distinguished by its environmentally benign nature, as it yields only water as a byproduct postredox process. Their versatility of H₂O₂ spans diverse fields including pulp and paper bleaching, disinfection, detergent formulation, chemical synthesis, textile manufacturing and electronic production. This paper aims to elucidate recent advancements in engineering single-atoms and nanocluster-based photocatalysts, emphasizing their evolving structural modification strategies, catalytic mechanisms, synthesis methodologies and the mechanisms underlying H₂O₂ production. Furthermore, this review underscores the potential future application of these catalysts in environmental treatment, particularly in the context of H₂O₂ production. By focusing on the functionality and efficacy of employing SACs for H₂O₂ production, this study aims to inform the development of future implementations to mitigate environmental impacts. Consequently, these materials emerge as promising candidates for environmentally friendly applications including refined fuel production and associated environmental treatment processes.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 2","pages":"70–88 70–88"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00017","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832706","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optical Coherence Tomography Velocimetry for In-Line Processing: Velocity Profiles and the Intermittency of Opaque Complex Fluids In Situ","authors":"Owen Watts Moore,&nbsp;Thomas Andrew Waigh*,&nbsp;Ali Arafeh,&nbsp;Philip Martin,&nbsp;Cesar Mendoza and Adam Kowalski,&nbsp;","doi":"10.1021/acsengineeringau.4c0004310.1021/acsengineeringau.4c00043","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00043https://doi.org/10.1021/acsengineeringau.4c00043","url":null,"abstract":"<p >We demonstrate optical coherence tomography (OCT) velocimetry with in-line processing of complex fluids for the first time. The OCT measurements were performed on a perspex section of a test rig containing ∼40 L of complex fluids, analogous to real-world manufacturing conditions. Opaque solutions of lamellar surfactant gel networks (LGNs) and powdered milk were explored. Velocity profiles characteristic of power law fluids were found in the LGNs, in good agreement with independent measurements of the flow rate and off-line determination of viscosity. The velocity fluctuations of 3.4 pL volumes of the fluids in the test rig were also explored. LGNs demonstrated smooth, steady flows, whereas the powdered milk demonstrated marked instability, both showing intermittent behavior and Kolmogorov scaling for fully developed classical turbulence of Newtonian fluids (<i>P</i>(ω) ∼ ω^–5/3, where <i>P</i>(ω) is the power spectral density of the velocity fluctuations, and ω is the frequency). The effects of dynamic changes in formulation on velocimetry measurements could be observed with LGNs during the addition of salt and with the milk powder due to biofouling.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 2","pages":"115–127 115–127"},"PeriodicalIF":4.3,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00043","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Gold Extraction from a Refractory Ore Using Calcium Hypochlorite at Moderate Pressure and Temperature before Cyanidation","authors":"Yesica Raquel Quijada-Noriega*,&nbsp;Jesus Leobardo Valenzuela-Garcia*,&nbsp;Maria Mercedes Salazar-Campoy*,&nbsp;Guillermo Tiburcio-Munive,&nbsp;Victor Manuel Vazquez-Vazquez and Jose Refugio Parga-Torres,&nbsp;","doi":"10.1021/acsengineeringau.4c0003810.1021/acsengineeringau.4c00038","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00038https://doi.org/10.1021/acsengineeringau.4c00038","url":null,"abstract":"<p >Conventional leaching, the standard method for gold extraction, involves using a cyanide solution to dissolve gold from the ore. However, this process is often ineffective for refractory ores due to the presence of sulfide minerals. This study aims to improve the efficiency of gold extraction from refractory ores by introducing an oxidative pretreatment step using a calcium hypochlorite. This compound plays a crucial role in the process as it facilitates the oxidation of the sulfide minerals, mainly pyrite and quartz. The study also investigates how this approach affects oxidation at different temperatures and pressures inside a titanium reactor at 600 rpm. After the pretreatment, the mineral is in contact with a solution of sodium cyanide (1000 ppm) inside a stirred reactor (300 rpm) under atmospheric conditions. Some results obtained were more than 60% extraction of gold, but there were conditions under which gold extraction was less than 40%. The effect of the concentration of calcium hypochlorite 10 and 30 wt % was more significant compared with the temperature (25, 60, and 80 °C) and oxygen pressure (80 and 120 psi). This effect is due to a protective layer confirmed in the characterization using scanning electron microscopy (SEM-EDS) of the solid material previously leached.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 2","pages":"89–97 89–97"},"PeriodicalIF":4.3,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00038","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction to \"Model-Based Scale-Up of a Homogeneously Catalyzed Sonogashira Coupling Reaction in a 3D Printed Continuous-Flow Reactor\".","authors":"Lisa Schulz, Norbert Kockmann, Thorsten Röder","doi":"10.1021/acsengineeringau.5c00006","DOIUrl":"https://doi.org/10.1021/acsengineeringau.5c00006","url":null,"abstract":"<p><p>[This corrects the article DOI: 10.1021/acsengineeringau.4c00027.].</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 1","pages":"66"},"PeriodicalIF":4.3,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11843603/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143484084","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}