Pub Date : 2024-11-27DOI: 10.1021/acs.iecr.4c02781
Samuel Arce Munoz, Jonathan Pershing, John D. Hedengren
Advancements in deep learning tools originally designed for natural language processing are also applied to applications in the field of process control. Transformers, in particular, have been used to leverage self-attention mechanisms and effectively capture long-range dependencies. However, these architectures require extensive data representative of a specific process, which is not always available. To address this issue, transfer learning has emerged as a machine learning technique that enables pretrained models to adapt to new tasks with minimal additional training. This paper demonstrates a process that combines transfer learning with transformer architectures to enable a data-driven approach to control tasks, such as system identification and surrogate control modeling, when data are scarce. In this study, large amounts of data from a source system are used to train a transformer that models the dynamics of target systems for which limited data are available. The paper compares the predictive performance of models trained only on target system data with models using transfer learning including a modified transformer architecture with a physics-informed neural network (PINN) component. The results demonstrate improved predictive accuracy in system identification by up to 45% with transfer learning and up to 74% with both transfer learning and a PINN architecture. Similar accuracy improvements were observed in surrogate control tasks, with enhancements of up to 44% using transfer learning and up to 98% with transfer learning and a PINN architecture.
{"title":"Physics-Informed Transfer Learning for Process Control Applications","authors":"Samuel Arce Munoz, Jonathan Pershing, John D. Hedengren","doi":"10.1021/acs.iecr.4c02781","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02781","url":null,"abstract":"Advancements in deep learning tools originally designed for natural language processing are also applied to applications in the field of process control. Transformers, in particular, have been used to leverage self-attention mechanisms and effectively capture long-range dependencies. However, these architectures require extensive data representative of a specific process, which is not always available. To address this issue, transfer learning has emerged as a machine learning technique that enables pretrained models to adapt to new tasks with minimal additional training. This paper demonstrates a process that combines transfer learning with transformer architectures to enable a data-driven approach to control tasks, such as system identification and surrogate control modeling, when data are scarce. In this study, large amounts of data from a source system are used to train a transformer that models the dynamics of target systems for which limited data are available. The paper compares the predictive performance of models trained only on target system data with models using transfer learning including a modified transformer architecture with a physics-informed neural network (PINN) component. The results demonstrate improved predictive accuracy in system identification by up to 45% with transfer learning and up to 74% with both transfer learning and a PINN architecture. Similar accuracy improvements were observed in surrogate control tasks, with enhancements of up to 44% using transfer learning and up to 98% with transfer learning and a PINN architecture.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"65 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142753342","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}
Pub Date : 2024-11-27DOI: 10.1021/acs.iecr.4c03125
Sudip K. Ganguly, Sunil Kumar, Dev Choudhary, Vivek Rathore, Bharat L. Newalkar, Vivek K. Chaudhary, Yashika Sharma, Ashwinth K, Anjan Ray, Tuhin S. Khan
The sweetening of lighter petroleum fractions such as liquefied petroleum gas (LPG) involves the extraction of lighter thiols (RSHs) by caustication to form mercaptides (NaSRs). Oxygen subsequently oxidizes these NaSRs to disulfides (RSSRs) in the presence of a catalyst typically – based on cobalt phthalocyanines (CoPc) and an alkali. The present study focuses on joint development and commercialization efforts for an LPG sweetening catalyst – Thoxcat ES – by CSIR-Indian Institute of Petroleum (IIP) and Bharat Petroleum Corporation Ltd. (BPCL) using a step-by-step approach toward elucidating mechanistic pathways, establishing applicable rate laws, laboratory reactor design, and determining kinetic parameters for the catalyst–substrate system. Gas–liquid (G-L) kinetics studies using oxygen were conducted in an agitated and sparged tank contactor (ASTC) equipped with a turbine impeller operated in the total recirculation regime (TRR) using 1-ethanethiol in the range of 400–700 ppm w at temperature (T) = 303–317 K and atmospheric pressure. The derived rate law, though similar to the Michaelis–Menten rate law, simplifies into a linear form for the usual industrial process conditions. The experimental activation energy (Ea) determined as 50.715 kJ mol–1 compared within a range of ±2.0% with density functional theory (DFT) predictions indicates adequate representation of intrinsic kinetics after discounting hydrodynamic and mass transfer limitations. During refinery runs, such kinetic models are helpful in optimization of catalyst makeup dosages and dosing frequency for achieving operating cost competitiveness in petroleum refineries.
{"title":"Synthesis and Scale-up of a Sulfonamide Catalyst for Mercaptan Removal from Light Oils: A Reaction Kinetics Investigation with Density Functional Theory Validation","authors":"Sudip K. Ganguly, Sunil Kumar, Dev Choudhary, Vivek Rathore, Bharat L. Newalkar, Vivek K. Chaudhary, Yashika Sharma, Ashwinth K, Anjan Ray, Tuhin S. Khan","doi":"10.1021/acs.iecr.4c03125","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03125","url":null,"abstract":"The sweetening of lighter petroleum fractions such as liquefied petroleum gas (LPG) involves the extraction of lighter thiols (RSHs) by caustication to form mercaptides (NaSRs). Oxygen subsequently oxidizes these NaSRs to disulfides (RSSRs) in the presence of a catalyst typically – based on cobalt phthalocyanines (CoPc) and an alkali. The present study focuses on joint development and commercialization efforts for an LPG sweetening catalyst – Thoxcat ES – by CSIR-Indian Institute of Petroleum (IIP) and Bharat Petroleum Corporation Ltd. (BPCL) using a step-by-step approach toward elucidating mechanistic pathways, establishing applicable rate laws, laboratory reactor design, and determining kinetic parameters for the catalyst–substrate system. Gas–liquid (G-L) kinetics studies using oxygen were conducted in an agitated and sparged tank contactor (ASTC) equipped with a turbine impeller operated in the total recirculation regime (TRR) using 1-ethanethiol in the range of 400–700 ppm w at temperature (<i>T</i>) = 303–317 K and atmospheric pressure. The derived rate law, though similar to the Michaelis–Menten rate law, simplifies into a linear form for the usual industrial process conditions. The experimental activation energy (<i>E</i><sub><i>a</i></sub>) determined as 50.715 kJ mol<sup>–1</sup> compared within a range of ±2.0% with density functional theory (DFT) predictions indicates adequate representation of intrinsic kinetics after discounting hydrodynamic and mass transfer limitations. During refinery runs, such kinetic models are helpful in optimization of catalyst makeup dosages and dosing frequency for achieving operating cost competitiveness in petroleum refineries.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"16 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142718517","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}
Pub Date : 2024-11-27DOI: 10.1021/acs.iecr.4c03632
Marcellino D’Avino, Ruth Chilton, Gang Si, Mark R. Sivik, David A. Fulton
The design of more sustainable and eco-friendly solutions is one of the central challenges in the formulation of today’s laundry products. Water-soluble polymers are indispensable additives in laundry detergents as they play a wide range of functions. At present, the vast majority of these are still produced from petrochemical resources. In order to explore more sustainable alternatives, in this work, we have synthesized, characterized, and tested a novel group of anti-redeposition and soil release polymers based on hydrophobically modified 2, 3-dihydroxypropyl chitosan (DHPCH), a highly water-soluble chitosan derivative. Chitosan was selected on the basis of its environmental profile. Our results suggest that hydrophobic moieties are essential to observe cleaning benefits on synthetic based-textile. The level of modifications and the molecular weight of the unmodified chitosan were also shown to be decisive in conveying observable cleaning properties. This work is significant because it illustrates that DHPCH is a valid biorenewable platform for the development of new sustainable polymers for laundry detergents.
{"title":"Dihydroxypropyl Chitosan: A Biorenewable Platform for the Design of Novel Fabric Care Additives","authors":"Marcellino D’Avino, Ruth Chilton, Gang Si, Mark R. Sivik, David A. Fulton","doi":"10.1021/acs.iecr.4c03632","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03632","url":null,"abstract":"The design of more sustainable and eco-friendly solutions is one of the central challenges in the formulation of today’s laundry products. Water-soluble polymers are indispensable additives in laundry detergents as they play a wide range of functions. At present, the vast majority of these are still produced from petrochemical resources. In order to explore more sustainable alternatives, in this work, we have synthesized, characterized, and tested a novel group of anti-redeposition and soil release polymers based on hydrophobically modified 2, 3-dihydroxypropyl chitosan (DHPCH), a highly water-soluble chitosan derivative. Chitosan was selected on the basis of its environmental profile. Our results suggest that hydrophobic moieties are essential to observe cleaning benefits on synthetic based-textile. The level of modifications and the molecular weight of the unmodified chitosan were also shown to be decisive in conveying observable cleaning properties. This work is significant because it illustrates that DHPCH is a valid biorenewable platform for the development of new sustainable polymers for laundry detergents.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"9 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142718518","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}
Pub Date : 2024-11-27DOI: 10.1021/acs.iecr.4c02863
Juan Ye, Zihua Zhang, Shengjun Huang, Yueyang Liu, Weishan Wen, Hongping Xiang
Silicone adhesives play an important role in many fields, but they are still challenged by their weak adhesion strength and long curing time. Herein, an ultraviolet (UV)-curable, high-adhesion-strength, aging-resistant silicone-based adhesive is realized by the synergy of a novel methacryloxy-functionalized silicone resin with 15 wt % acrylic acid (AA). This silicone-based adhesive can be UV-cured within 60 s, and the shear strength reaches 6.1 MPa, which is much higher than those of most commercially available silicone adhesives. Moreover, this adhesive has outstanding aging resistance; its adhesion strength still exceeds 4 MPa after being aged at 150 °C, immersed in water at 25 °C for 168 h, or treated under 85 °C and 85% relative humidity for 1000 h. The excellent adhesion and aging resistance mainly depend on the synergism of the polar carboxyl and methacryloxy groups and stable Si–O–Si skeletons. Therefore, this adhesive will be used in electronics, construction, optics, and other fields.
有机硅粘合剂在许多领域发挥着重要作用，但其粘合强度弱、固化时间长等问题仍是其面临的挑战。本文通过一种新型甲基丙烯酰氧基官能化硅树脂与 15 wt % 丙烯酸（AA）的协同作用，实现了一种紫外线（UV）固化、高粘合强度、耐老化的有机硅粘合剂。这种硅基粘合剂可在 60 秒内完成紫外线固化，剪切强度达到 6.1 兆帕，远高于大多数市售硅基粘合剂。此外，这种粘合剂还具有出色的耐老化性；在 150 °C 下老化、在 25 °C 的水中浸泡 168 小时或在 85 °C 和 85% 的相对湿度下处理 1000 小时后，其粘合强度仍超过 4 兆帕。因此，这种粘合剂可用于电子、建筑、光学等领域。
{"title":"UV-Curing Silicone-Based Adhesives with Improved Adhesion Strength and Aging Resistance","authors":"Juan Ye, Zihua Zhang, Shengjun Huang, Yueyang Liu, Weishan Wen, Hongping Xiang","doi":"10.1021/acs.iecr.4c02863","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02863","url":null,"abstract":"Silicone adhesives play an important role in many fields, but they are still challenged by their weak adhesion strength and long curing time. Herein, an ultraviolet (UV)-curable, high-adhesion-strength, aging-resistant silicone-based adhesive is realized by the synergy of a novel methacryloxy-functionalized silicone resin with 15 wt % acrylic acid (AA). This silicone-based adhesive can be UV-cured within 60 s, and the shear strength reaches 6.1 MPa, which is much higher than those of most commercially available silicone adhesives. Moreover, this adhesive has outstanding aging resistance; its adhesion strength still exceeds 4 MPa after being aged at 150 °C, immersed in water at 25 °C for 168 h, or treated under 85 °C and 85% relative humidity for 1000 h. The excellent adhesion and aging resistance mainly depend on the synergism of the polar carboxyl and methacryloxy groups and stable Si–O–Si skeletons. Therefore, this adhesive will be used in electronics, construction, optics, and other fields.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"79 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142718516","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}
Pub Date : 2024-11-27DOI: 10.1021/acs.iecr.4c02871
Gracia María Cabello González, Laura Romero-Piñeiro, Ángel Luis Villanueva Perales, Fernando Vidal-Barrero
Biobutanol offers promise as a biofuel and platform chemical. Renewable butanol can be synthesized from bioethanol via the Guerbet reaction, in which higher alcohols are produced from short-chain alcohols. This research addresses the design and implementation of the separation system for the complex azeotropic mixture arising from ethanol-based biobutanol production. Using established conceptual design methods, an engineering-oriented approach was followed to deal with the numerous compounds present in the mixture and its complex phase behavior. To demonstrate the resulting design, a pilot plant composed of five distillation columns and two molecular sieves was constructed and operated. This plant constitutes the first experimental investigation of a separation system for this process. The recovery of unconverted ethanol was effectively demonstrated, and the production of high-purity butanol (∼99 wt %) was also achieved. From the experience of the construction and operation of the pilot plant, recommendations are given for industrial implementation of the separation system.
{"title":"Engineering-Oriented Design of the Separation Plant of the Catalytic Conversion Process of Bioethanol into Biobutanol","authors":"Gracia María Cabello González, Laura Romero-Piñeiro, Ángel Luis Villanueva Perales, Fernando Vidal-Barrero","doi":"10.1021/acs.iecr.4c02871","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02871","url":null,"abstract":"Biobutanol offers promise as a biofuel and platform chemical. Renewable butanol can be synthesized from bioethanol via the Guerbet reaction, in which higher alcohols are produced from short-chain alcohols. This research addresses the design and implementation of the separation system for the complex azeotropic mixture arising from ethanol-based biobutanol production. Using established conceptual design methods, an engineering-oriented approach was followed to deal with the numerous compounds present in the mixture and its complex phase behavior. To demonstrate the resulting design, a pilot plant composed of five distillation columns and two molecular sieves was constructed and operated. This plant constitutes the first experimental investigation of a separation system for this process. The recovery of unconverted ethanol was effectively demonstrated, and the production of high-purity butanol (∼99 wt %) was also achieved. From the experience of the construction and operation of the pilot plant, recommendations are given for industrial implementation of the separation system.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"83 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142742476","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}
Pub Date : 2024-11-27DOI: 10.1021/acs.iecr.4c03636
Astrid Melissa Rojas Márquez, Iris Beatriz Vega Erramuspe, Brian K. Via, Bhima Sastri, Sujit Banerjee
Supercritical CO2 (sCO2) dehydrates desiccants such as silica gel, activated carbon, graphite, and molecular sieve by dissolving and emulsifying the water. Despite differences in the surface area of these desiccants, the amount of water removed under comparable conditions is the same. The main advantage of sCO2 dewatering over conventional hot-air regeneration lies in situations where the exhaust contains environmentally sensitive components, e.g., in nuclear detritiation operations where the small footprint and closed cycle benefits of the sCO2 process are especially significant. Calculations show that depressurizing the spent sCO2 to half its initial pressure drops out most of the water, after which the CO2 can be repressurized and reused. sCO2 dewatering requires about half the energy needed for thermal drying because the water is removed nonevaporatively.
超临界二氧化碳（sCO2）通过溶解和乳化水使硅胶、活性炭、石墨和分子筛等干燥剂脱水。尽管这些干燥剂的表面积不同，但在可比条件下去除的水量是相同的。与传统的热风再生法相比，sCO2 脱水法的主要优势在于废气中含有对环境敏感的成分，例如在核除尘操作中，sCO2 工艺的小占地面积和封闭循环优势尤为显著。计算表明，将用过的 sCO2 降压至初始压力的一半，大部分水就会被排出，之后 CO2 可以重新加压并重新使用。
{"title":"Regeneration of Spent Desiccants with Supercritical CO2","authors":"Astrid Melissa Rojas Márquez, Iris Beatriz Vega Erramuspe, Brian K. Via, Bhima Sastri, Sujit Banerjee","doi":"10.1021/acs.iecr.4c03636","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03636","url":null,"abstract":"Supercritical CO<sub>2</sub> (sCO<sub>2</sub>) dehydrates desiccants such as silica gel, activated carbon, graphite, and molecular sieve by dissolving and emulsifying the water. Despite differences in the surface area of these desiccants, the amount of water removed under comparable conditions is the same. The main advantage of sCO<sub>2</sub> dewatering over conventional hot-air regeneration lies in situations where the exhaust contains environmentally sensitive components, e.g., in nuclear detritiation operations where the small footprint and closed cycle benefits of the sCO<sub>2</sub> process are especially significant. Calculations show that depressurizing the spent sCO<sub>2</sub> to half its initial pressure drops out most of the water, after which the CO<sub>2</sub> can be repressurized and reused. sCO<sub>2</sub> dewatering requires about half the energy needed for thermal drying because the water is removed nonevaporatively.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"16 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142718523","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}
Pub Date : 2024-11-27DOI: 10.1021/acs.iecr.4c03009
Jie Kong, Yang Wu, Tong Xia, Xin Zhang, Yuanxin Li, Lanyi Sun
Given the sustained growth in global propylene demand, advanced propylene catalytic cracking technologies are increasingly sophisticated. This paper enhances the stabilization column for catalytic cracking to align with high-productivity propylene catalytic cracking. Optimization focuses on equipment and operating costs, with a comparative analysis of different dividing wall column configurations. Results show the side-stripper column (SSC) offers the best economic and environmental performance, reducing total annual cost (TAC) by 23.34% and CO2 emissions by 24.14%. Further energy savings and CO2 emissions reductions are achieved by recovering waste heat from stable gasoline in the SSC process. Compared to the base configuration, the SSC process with heat recovery reduces TAC by 46.26% and CO2 emissions by 50.88%. Additionally, the SSC process with heat recovery shows excellent dynamic characteristics under feed flow rate and composition disturbances, establishing a rational control scheme.
{"title":"Optimization and Control of a Stabilization Column for a Propylene-Producing Fluid Catalytic Cracking Process","authors":"Jie Kong, Yang Wu, Tong Xia, Xin Zhang, Yuanxin Li, Lanyi Sun","doi":"10.1021/acs.iecr.4c03009","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03009","url":null,"abstract":"Given the sustained growth in global propylene demand, advanced propylene catalytic cracking technologies are increasingly sophisticated. This paper enhances the stabilization column for catalytic cracking to align with high-productivity propylene catalytic cracking. Optimization focuses on equipment and operating costs, with a comparative analysis of different dividing wall column configurations. Results show the side-stripper column (SSC) offers the best economic and environmental performance, reducing total annual cost (TAC) by 23.34% and CO<sub>2</sub> emissions by 24.14%. Further energy savings and CO<sub>2</sub> emissions reductions are achieved by recovering waste heat from stable gasoline in the SSC process. Compared to the base configuration, the SSC process with heat recovery reduces TAC by 46.26% and CO<sub>2</sub> emissions by 50.88%. Additionally, the SSC process with heat recovery shows excellent dynamic characteristics under feed flow rate and composition disturbances, establishing a rational control scheme.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"257 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142718515","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}
Pub Date : 2024-11-27DOI: 10.1021/acs.iecr.4c01523
Katelyn M. Ripley, Fikile R. Brushett
Deployment of post-combustion carbon dioxide (CO2) capture technologies is needed to reduce emissions from power and industrial sources. Comparisons between existing thermochemical CO2 capture methods and emerging electrochemical concepts can help contextualize the promise of these new approaches. Here, we investigate the required absorber sizes for three capture systems: amine scrubbing using monoethanolamine (MEA), direct electrochemical (redox-active sorbent), and indirect electrochemical (pH swing). For the electrochemical systems, we study how column size varies as a function of molecular properties and operating conditions, finding that parameters most closely related to CO2 uptake rates (i.e., rate constants and pKa) have the greatest impact. Through a Monte Carlo analysis, we find that the direct process can be designed to have column sizes similar to the thermochemical process; however, the CO2 uptake rate in the indirect process is too slow to enable smaller columns. Broadly, this work connects system input parameters to absorber performance for electrochemical CO2 capture and provides a foundation for techno-economic and engineering analyses.
{"title":"Modeling and Comparative Analysis of CO2 Absorption Columns in Electrochemical and Thermochemical Carbon Capture Systems","authors":"Katelyn M. Ripley, Fikile R. Brushett","doi":"10.1021/acs.iecr.4c01523","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01523","url":null,"abstract":"Deployment of post-combustion carbon dioxide (CO<sub>2</sub>) capture technologies is needed to reduce emissions from power and industrial sources. Comparisons between existing thermochemical CO<sub>2</sub> capture methods and emerging electrochemical concepts can help contextualize the promise of these new approaches. Here, we investigate the required absorber sizes for three capture systems: amine scrubbing using monoethanolamine (MEA), direct electrochemical (redox-active sorbent), and indirect electrochemical (pH swing). For the electrochemical systems, we study how column size varies as a function of molecular properties and operating conditions, finding that parameters most closely related to CO<sub>2</sub> uptake rates (i.e., rate constants and p<i>K</i><sub>a</sub>) have the greatest impact. Through a Monte Carlo analysis, we find that the direct process can be designed to have column sizes similar to the thermochemical process; however, the CO<sub>2</sub> uptake rate in the indirect process is too slow to enable smaller columns. Broadly, this work connects system input parameters to absorber performance for electrochemical CO<sub>2</sub> capture and provides a foundation for techno-economic and engineering analyses.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"11 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756121","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}
Pub Date : 2024-11-27DOI: 10.1021/acs.iecr.4c02546
Pier Francesco Ferrari, Margherita Pettinato, Micaela Bergamaschi, Patrizia Perego, Paolo Spallarossa, Eleonora Arboscello, Roberto Massimo Lemoli, Paola Bagnato, Giovanni Pratesi, Domenico Palombo, Bruno Fabiano
This transdisciplinary work aims to demonstrate cross-industry learning potential based on the application of a process safety approach to the biomedical sector for specifically understanding the molecular processes involved in the development of vascular complications associated with therapies for chronic myeloid leukemia. Two BCR::ABL1 tyrosine kinase inhibitors, nilotinib and imatinib, are currently used in the treatment of chronic myeloid leukemia with the majority of treated patients achieving complete hematological and cytogenetic remission, as well as molecular response. Nevertheless, recent long-term follow-up studies have shown an increased incidence of cardiovascular disease in patients treated with nilotinib. In this study, a bow-tie analysis is proposed to allow the visualization of molecular patterns involved in the mechanism leading to endothelial dysfunction and cardiovascular risks. Clinical observations, historical data, and expert opinions were combined with an in vitro evaluation of the effects of nilotinib on endothelial cell function. Experimental results showed that nilotinib, but not imatinib, induces both senescence and apoptosis in endothelial cells along with the modulation of endothelial markers. Through the bow-tie, understanding the molecular processes involved in the development of vascular complications associated with nilotinib, as well as the visualization and assessment of barriers and escalation factors, could contribute to the development of novel protocols aimed at preventing cardiovascular side effects.
{"title":"Engineering for Biomedical Sector: A Cross-Industry Approach for the Analysis of Molecular Patterns behind Endothelial Damage Related to Leukemia Therapy","authors":"Pier Francesco Ferrari, Margherita Pettinato, Micaela Bergamaschi, Patrizia Perego, Paolo Spallarossa, Eleonora Arboscello, Roberto Massimo Lemoli, Paola Bagnato, Giovanni Pratesi, Domenico Palombo, Bruno Fabiano","doi":"10.1021/acs.iecr.4c02546","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02546","url":null,"abstract":"This transdisciplinary work aims to demonstrate cross-industry learning potential based on the application of a process safety approach to the biomedical sector for specifically understanding the molecular processes involved in the development of vascular complications associated with therapies for chronic myeloid leukemia. Two BCR::ABL1 tyrosine kinase inhibitors, nilotinib and imatinib, are currently used in the treatment of chronic myeloid leukemia with the majority of treated patients achieving complete hematological and cytogenetic remission, as well as molecular response. Nevertheless, recent long-term follow-up studies have shown an increased incidence of cardiovascular disease in patients treated with nilotinib. In this study, a bow-tie analysis is proposed to allow the visualization of molecular patterns involved in the mechanism leading to endothelial dysfunction and cardiovascular risks. Clinical observations, historical data, and expert opinions were combined with an <i>in vitro</i> evaluation of the effects of nilotinib on endothelial cell function. Experimental results showed that nilotinib, but not imatinib, induces both senescence and apoptosis in endothelial cells along with the modulation of endothelial markers. Through the bow-tie, understanding the molecular processes involved in the development of vascular complications associated with nilotinib, as well as the visualization and assessment of barriers and escalation factors, could contribute to the development of novel protocols aimed at preventing cardiovascular side effects.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"13 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142718522","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}
Pub Date : 2024-11-26DOI: 10.1021/acs.iecr.4c03336
Inna V. Zinov’eva, Tatiana Yu. Chikineva, Alexey M. Salomatin, Yulia A. Zakhodyaeva, Andrey A. Voshkin
New hydrophobic eutectic solvents for extraction of a series of trivalent rare earth elements from nitrate solutions, bis(2,4,4-trimethylpentyl)dithiophosphinic acid (DTPA)/menthol and bis(2,4,4-trimethylpentyl)dithiophosphinic acid/trioctylphosphine oxide (TOPO)/menthol, were suggested and studied. The solvents were completely characterized by 31P NMR, IR spectroscopy, and differential scanning calorimetry. The physical properties of the eutectic solvents, including density, viscosity and refractive index, were determined. The dependence of viscosity on temperature was described with high accuracy using the Arrhenius and Vogel–Fulcher–Tammann equations. The extraction of rare earth elements (Pr, Nd, Eu) by the suggested eutectic solvents was studied as a function of the medium acidity, concentration of the salting-out agent, composition of the eutectic solvent, initial metal concentration, volume ratio of phases, etc. To detect the synergistic effect, a comparative analysis of the extraction of the rare earth elements by the following three eutectic solvents was carried out: DTPA/menthol, TOPO/menthol, and DTPA/TOPO/menthol. The addition of TOPO to the DTPA/menthol mixture increased the extraction efficiency of the metal ions from nitrate solutions. It has been shown that the application of the suggested extraction systems can be promising in the hydrometallurgical treatment of wastes containing rare-earth metals.
{"title":"Extraction of Rare Earth Elements from Nitrate Solutions by Hydrophobic Eutectic Solvents Based on Phosphorus-Containing Compounds","authors":"Inna V. Zinov’eva, Tatiana Yu. Chikineva, Alexey M. Salomatin, Yulia A. Zakhodyaeva, Andrey A. Voshkin","doi":"10.1021/acs.iecr.4c03336","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03336","url":null,"abstract":"New hydrophobic eutectic solvents for extraction of a series of trivalent rare earth elements from nitrate solutions, bis(2,4,4-trimethylpentyl)dithiophosphinic acid (DTPA)/menthol and bis(2,4,4-trimethylpentyl)dithiophosphinic acid/trioctylphosphine oxide (TOPO)/menthol, were suggested and studied. The solvents were completely characterized by <sup>31</sup>P NMR, IR spectroscopy, and differential scanning calorimetry. The physical properties of the eutectic solvents, including density, viscosity and refractive index, were determined. The dependence of viscosity on temperature was described with high accuracy using the Arrhenius and Vogel–Fulcher–Tammann equations. The extraction of rare earth elements (Pr, Nd, Eu) by the suggested eutectic solvents was studied as a function of the medium acidity, concentration of the salting-out agent, composition of the eutectic solvent, initial metal concentration, volume ratio of phases, <i>etc.</i> To detect the synergistic effect, a comparative analysis of the extraction of the rare earth elements by the following three eutectic solvents was carried out: DTPA/menthol, TOPO/menthol, and DTPA/TOPO/menthol. The addition of TOPO to the DTPA/menthol mixture increased the extraction efficiency of the metal ions from nitrate solutions. It has been shown that the application of the suggested extraction systems can be promising in the hydrometallurgical treatment of wastes containing rare-earth metals.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"81 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142713290","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}
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