ACS Engineering AuPub Date : 2024-11-27DOI: 10.1021/acsengineeringau.4c0002710.1021/acsengineeringau.4c00027
Lisa Schulz, Norbert Kockmann and Thorsten Röder*,
{"title":"Model-Based Scale-Up of a Homogeneously Catalyzed Sonogashira Coupling Reaction in a 3D Printed Continuous-Flow Reactor","authors":"Lisa Schulz, Norbert Kockmann and Thorsten Röder*, ","doi":"10.1021/acsengineeringau.4c0002710.1021/acsengineeringau.4c00027","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00027https://doi.org/10.1021/acsengineeringau.4c00027","url":null,"abstract":"<p >The model-based scale-up of a homogeneously catalyzed Sonogashira coupling reaction is performed in a 3D printed metal continuous-flow reactor. The reaction is monitored with inline Raman spectroscopy with a low calibration effort, applying a multivariate curve resolution approach. Manufacturing conditions result in a space time yield of 412 kg m<sup>–3</sup> h<sup>–1</sup> and a productivity rate of 0.078 kg h<sup>–1</sup>.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"4 6","pages":"519–523 519–523"},"PeriodicalIF":4.3,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00027","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142851018","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}
ACS Engineering AuPub Date : 2024-11-20DOI: 10.1021/acsengineeringau.4c0003210.1021/acsengineeringau.4c00032
Jae-Hun Kim, Soo Youn Lee, Hye Jin Lee, Hae In Lee, Dong-Ha Lim, Yoo Seok Lee*, Hee Soo Kim* and Sahng Hyuck Woo*,
{"title":"Strategies for the Design and Synthesis of Pt-Based Nanostructured Electrocatalysts in Proton Exchange Membrane Fuel Cells (PEMFCs)","authors":"Jae-Hun Kim, Soo Youn Lee, Hye Jin Lee, Hae In Lee, Dong-Ha Lim, Yoo Seok Lee*, Hee Soo Kim* and Sahng Hyuck Woo*, ","doi":"10.1021/acsengineeringau.4c0003210.1021/acsengineeringau.4c00032","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00032https://doi.org/10.1021/acsengineeringau.4c00032","url":null,"abstract":"<p >With the rapidly increasing use of fossil fuels, the exploration of various renewable energy sources has become critical. Among these, proton exchange membrane fuel cells (PEMFCs) are garnering significant attention as the next generation of green energy, which is ascribed to their ability to directly convert chemical energy into electricity without emitting pollutants. Specifically, the design and synthesis of effective catalysts are crucial in reducing the cost of commercial PEMFCs because the performance of the oxygen reduction reaction (ORR), which is the most critical reaction in PEMFCs, dictates the overall performance of the cell. Consequently, numerous research groups have recently focused on enhancing the performance and durability of the ORR catalysts. These improvements are being pursued in various fields, including geometry engineering and interfacial engineering. Efforts involve tuning the size and chemical composition of Pt catalysts, as well as developing diverse nanostructures that can be selectively positioned on the crystal surface or alloyed with transition metals. This review delves into the fundamentals of fuel cells and ORR catalysts, which are pivotal energy sources in the realm of green energy. It also outlines a series of catalyst synthesis strategies aimed at boosting their performance. Additionally, this paper offers new insights and highlights key considerations for the future development of platinum-based ORR catalysts in fuel cells.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 1","pages":"1–9 1–9"},"PeriodicalIF":4.3,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00032","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435831","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}
ACS Engineering AuPub Date : 2024-11-06DOI: 10.1021/acsengineeringau.4c0003410.1021/acsengineeringau.4c00034
Alan R. Taschin, Davi D. Petrolini, Adriano H. Braga, Alexandre Baiotto, Adriana Paula Ferreira, Alejandro Lopez-Castillo, João Batista O. Santos and José M. C. Bueno*,
{"title":"Impact of Potassium Addition on the Performance of Ni/MgAl2O4 Catalysts in Steam Reforming of Bio-Oil Model Compounds","authors":"Alan R. Taschin, Davi D. Petrolini, Adriano H. Braga, Alexandre Baiotto, Adriana Paula Ferreira, Alejandro Lopez-Castillo, João Batista O. Santos and José M. C. Bueno*, ","doi":"10.1021/acsengineeringau.4c0003410.1021/acsengineeringau.4c00034","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00034https://doi.org/10.1021/acsengineeringau.4c00034","url":null,"abstract":"<p >Ni/MgAl<sub>2</sub>O<sub>4</sub> catalysts with and without K promotion were tested in steam reforming of phenol (SRP), ethanol (SRE), and butanol (SRB), to evaluate the effect of K on catalytic activity and methane formation. The catalysts were prepared by a wet impregnation method and were characterized using nitrogen adsorption, in situ XRD, H<sub>2</sub>-TPR, TEM, XPS, and XANES techniques. Catalytic evaluations were performed at temperatures ranging from 250 to 650 °C. DFT calculations were employed to study the hydrogenation of CH<sub><i>x</i></sub> species on Ni modified by K. The addition of K to the Ni catalysts weakened the NiO-support interaction, causing NiO agglomeration and an increase in Ni particle size. The effect of K on CH<sub>4</sub> formation was strongly influenced by the structure of the reformed molecule, leading to the formation of different CH<sub><i>x</i></sub> species during the reaction. The introduction of K into the Ni catalyst suppressed formation of CH<sub>4</sub> by hydrogenation of CH, with this effect diminishing for CH<sub>2</sub> and being absent for CH<sub>3</sub> species. DFT calculations of the interaction between CH<sub><i>x</i></sub> species absorbed in an Ni<sub>4</sub> cluster (CH<sub><i>x</i></sub>-Ni<sub>4</sub>) and K, particularly KOH, indicated that species such as HOKH<sub><i>x</i></sub>C–Ni<sub>4</sub> were stabilized, with decreased energies of −291.5, −242.4, and −27.7 kJ/mol for CH, CH<sub>2</sub>, and CH<sub>3</sub>, respectively. The increased heat of adsorption for CH and CH<sub>2</sub> species reduced their hydrogenation activity toward methane.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"5 1","pages":"10–26 10–26"},"PeriodicalIF":4.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00034","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435953","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}
ACS Engineering AuPub Date : 2024-10-31DOI: 10.1021/acsengineeringau.4c0002610.1021/acsengineeringau.4c00026
Chen Chuan Nathaniel Don Lim, Michelle Jui Hsien Ong, Mingyue Wu, Chi-Lik Ken Lee and Ping Sen Choong*,
{"title":"Emerging Trends in Nonisocyanate Polyurethane Foams: A Review","authors":"Chen Chuan Nathaniel Don Lim, Michelle Jui Hsien Ong, Mingyue Wu, Chi-Lik Ken Lee and Ping Sen Choong*, ","doi":"10.1021/acsengineeringau.4c0002610.1021/acsengineeringau.4c00026","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00026https://doi.org/10.1021/acsengineeringau.4c00026","url":null,"abstract":"<p >Polyurethane foams (PUF) are essential materials known for their exceptional chemical and mechanical properties, making them ubiquitous in a wide range of applications. Conventionally, PUF are produced through polyaddition reactions between polyols and polyisocyanates at room temperature, where water plays a critical role in this process by hydrolyzing the isocyanates, leading to the release of carbon dioxide (CO<sub>2</sub>) as a blowing agent. In recent years, isocyanates have raised significant concerns in industries and consumers due to their high toxicity. Therefore, driving the need to explore alternative synthesis routes for PUF that do not involve the use of isocyanates. Nonisocyanate polyurethane foams (NIPUF) derived from the aminolysis of cyclic carbonates have emerged as the most promising solution to replace the conventional method of producing PUF. Despite this, the challenging aspect lies in identifying a suitable foaming strategy for NIPUF that can satisfy both sustainability and performance requirements. In view of this, the first part of this review focuses on the background, chemistry, and challenges of PUF. In the second part, the chemistry of NIPUF and the various foaming strategies used to prepare them are discussed and analyzed. Finally, the outlook and future research focus areas for NIPUF are outlined.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"4 6","pages":"493–518 493–518"},"PeriodicalIF":4.3,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00026","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850701","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}
ACS Engineering AuPub Date : 2024-10-29DOI: 10.1021/acsengineeringau.4c0003010.1021/acsengineeringau.4c00030
Nicolas Chaussard*, Clémence Nikitine and Pascal Fongarland,
{"title":"Intrinsic Kinetics Resolution of an Enantioselective Transesterification Catalyzed with the Immobilized Enzyme Novozym435","authors":"Nicolas Chaussard*, Clémence Nikitine and Pascal Fongarland, ","doi":"10.1021/acsengineeringau.4c0003010.1021/acsengineeringau.4c00030","DOIUrl":"https://doi.org/10.1021/acsengineeringau.4c00030https://doi.org/10.1021/acsengineeringau.4c00030","url":null,"abstract":"<p >This work investigates the kinetics of the enantioselective transesterification of ethyl butyrate and (<i>R</i>)-2-pentanol in a solventless medium biocatalyzed by <i>Novozym435</i>, an immobilized <i>Candida antarctica</i> <i>Lipase B</i>. A reaction-diffusion reversible Ping-Pong bi-bi model was developed to represent the reaction rate with the additional estimation of the internal mass transfer using an orthogonal collocations method. A total of 18 experiments (774 data points) were realized in the SpinChem Vessel V2 batch reactor at a constant stirring speed of 400 rpm, varying temperatures (30–60 °C), component initial molar fraction (0.2–0.8), catalyst ratio (1–4% wt), and size fraction (200–1000 μm). Kinetics data were fitted using the model with a mean average percentage error of 3.45%, the 10 optimized kinetic parameters being coherent with the expected behavior of the Ping-Pong Michaelis–Menten mechanisms. Values for the effectiveness factor η for intraparticle mass transfer diffusion vary between 0.37 and 1, confirming the necessity to include mass transfer into kinetic modeling in our case.</p>","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"4 6","pages":"545–561 545–561"},"PeriodicalIF":4.3,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsengineeringau.4c00030","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142844113","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}
Balachandran Subramanian*, K. Jeeva Jothi, Mohamedazeem M. Mohideen, R. Karthikeyan, A. Santhana Krishna Kumar*, Ganeshraja Ayyakannu Sundaram, K. Thirumalai, Munirah D. Albaqami, Saikh Mohammad and M. Swaminathan*,
{"title":"","authors":"Balachandran Subramanian*, K. Jeeva Jothi, Mohamedazeem M. Mohideen, R. Karthikeyan, A. Santhana Krishna Kumar*, Ganeshraja Ayyakannu Sundaram, K. Thirumalai, Munirah D. Albaqami, Saikh Mohammad and M. Swaminathan*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"4 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.3,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsengineeringau.4c00025","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144461878","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}
Jonathan P. P. Noble*, Simon J. Bending and Alfred K. Hill*,
{"title":"","authors":"Jonathan P. P. Noble*, Simon J. Bending and Alfred K. Hill*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"4 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.3,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsengineeringau.4c00009","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144461876","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}
Lucia Cancelada, Jorge M. Meichtry, Hugo Destaillats and Marta I. Litter*,
{"title":"","authors":"Lucia Cancelada, Jorge M. Meichtry, Hugo Destaillats and Marta I. Litter*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29804,"journal":{"name":"ACS Engineering Au","volume":"4 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":4.3,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsengineeringau.4c00011","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144461873","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}