ACS Engineering Au最新文献

{"title":"A Systematic and General Machine Learning Approach to Build a Consistent Data Set from Different Experiments: Application to the Thermal Conductivity of Methane","authors":"Matheus Máximo-Canadas,&nbsp;Julio Cesar Duarte,&nbsp;Jakler Nichele,&nbsp;Leonardo Santos de Brito Alves,&nbsp;Luiz Octavio Vieira Pereira,&nbsp;Rogerio Ramos and Itamar Borges Jr.*,&nbsp;","doi":"10.1021/acsengineeringau.5c0000110.1021/acsengineeringau.5c00001","DOIUrl":"https://doi.org/10.1021/acsengineeringau.5c00001https://doi.org/10.1021/acsengineeringau.5c00001","url":null,"abstract":"<p >Experimental data from different sources present challenges due to variability and noise from various experimental conditions, apparatuses, and environmental factors. In this work, we propose a general method to address these challenges to build a consistent data set. As a case study, we analyze experimental data sets of methane’s thermal conductivity across the liquid, vapor, and supercritical phases. The method is based on machine learning (ML) techniques, which consistently integrate data from various experimental sources. It feeds raw data compiled by the National Institute of Standards and Technology (NIST) database to different ML algorithms to achieve this purpose. Our findings indicate that ML models yield predictions closer to the NIST’s processed data than to the original raw experimental data used to train the models. This demonstrates the models’ generalization from heterogeneous, noisy, and untreated data sets. While our approach does not eliminate preprocessing, it suggests that ML can autonomously handle noisy data, providing a faster and cost-effective alternative to traditional pre- and postprocessing methods. By guiding the refinement of labor-intensive methods, ML proves adaptable for real-time data, enabling immediate adjustments and revolutionizing industrial and scientific optimizations. Therefore, the proposed ML approach is general and efficient in handling complex and heterogeneous data to deliver reliable predictions without extensive preprocessing.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 3","pages":"226–233 226–233"},"PeriodicalIF":4.3,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.5c00001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144305650","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":"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":"","authors":"Mengmeng Cui,&nbsp;Lujain Alfilfil,&nbsp;Isidoro Morales Osorio,&nbsp;Khalid Almajnouni,&nbsp;Jorge Gascon and Pedro Castaño*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsengineeringau.4c00041","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144399957","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":"","authors":"Sohyun Ahn*,&nbsp;Suvarna Patil and Martin Rudolph,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsengineeringau.4c00042","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144350674","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":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/egv005i001_1902310","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144400525","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":"","authors":"Alan R. Taschin,&nbsp;Davi D. Petrolini,&nbsp;Adriano H. Braga,&nbsp;Alexandre Baiotto,&nbsp;Adriana Paula Ferreira,&nbsp;Alejandro Lopez-Castillo,&nbsp;João Batista O. Santos and José M. C. Bueno*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsengineeringau.4c00034","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144400532","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":"","authors":"Lisa Schulz,&nbsp;Norbert Kockmann and Thorsten Röder*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsengineeringau.5c00006","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144400511","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":"","authors":"Jae-Hun Kim,&nbsp;Soo Youn Lee,&nbsp;Hye Jin Lee,&nbsp;Hae In Lee,&nbsp;Dong-Ha Lim,&nbsp;Yoo Seok Lee*,&nbsp;Hee Soo Kim* and Sahng Hyuck Woo*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsengineeringau.4c00032","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144400521","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}