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Impact of Impurities on Nickel Sulfate Crystallization and Strategies for Removal: Advancing Toward Battery-Grade Nickel Sulfate Production
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-18 DOI: 10.1021/acs.iecr.4c03711
Kyoung Hun Choi, Jinmyung Jang, Sevan Bedrossian, Gisele Azimi
The increasing demand for high-purity nickel sulfate, particularly for lithium-ion battery cathode materials, necessitates efficient and effective purification methods. This study investigates the impact of impurities on nickel sulfate crystallization and explores strategies for mitigating these impurities to produce battery-grade nickel sulfate. Through evaporative crystallization, displacement washing, and repulping, we examined the incorporation and removal of various impurities, including magnesium, cobalt, sodium, and calcium. Our findings suggest that Mg and Co are primarily integrated into the crystal lattice via isomorphous substitution and inclusion when present in higher initial concentrations. In contrast, Na and Ca are predominantly adsorbed onto the crystal surface, regardless of their initial concentrations. Repulping, particularly under controlled conditions, proved effective in reducing the levels of Mg and Co, offering a feasible postcrystallization strategy to enhance the purity of nickel sulfate. This research provides critical insights into optimizing nickel sulfate crystallization processes for achieving the high-purity standards required in the battery industry.
{"title":"Impact of Impurities on Nickel Sulfate Crystallization and Strategies for Removal: Advancing Toward Battery-Grade Nickel Sulfate Production","authors":"Kyoung Hun Choi, Jinmyung Jang, Sevan Bedrossian, Gisele Azimi","doi":"10.1021/acs.iecr.4c03711","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03711","url":null,"abstract":"The increasing demand for high-purity nickel sulfate, particularly for lithium-ion battery cathode materials, necessitates efficient and effective purification methods. This study investigates the impact of impurities on nickel sulfate crystallization and explores strategies for mitigating these impurities to produce battery-grade nickel sulfate. Through evaporative crystallization, displacement washing, and repulping, we examined the incorporation and removal of various impurities, including magnesium, cobalt, sodium, and calcium. Our findings suggest that Mg and Co are primarily integrated into the crystal lattice via isomorphous substitution and inclusion when present in higher initial concentrations. In contrast, Na and Ca are predominantly adsorbed onto the crystal surface, regardless of their initial concentrations. Repulping, particularly under controlled conditions, proved effective in reducing the levels of Mg and Co, offering a feasible postcrystallization strategy to enhance the purity of nickel sulfate. This research provides critical insights into optimizing nickel sulfate crystallization processes for achieving the high-purity standards required in the battery industry.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"10 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435681","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}
引用次数: 0
Predicting Reaction Rate Constant of Organic Compounds with Singlet Oxygen and Revealing Its Contributors Using Machine Learning
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-18 DOI: 10.1021/acs.iecr.4c04008
Tengyi Zhu, Fulei Qi, Cuicui Tao, Yi Li, Shuyin Li, Xiaofan Lv
Singlet oxygen (1O2), as an electrophilic reagent, is widely used for oxidative degradation of organic compounds (OCs). The 1O2 reaction rate constant (k) is an important index for evaluating the OCs degradation rate. Under limited conditions, owing to the difficulty in experimentally determining k of all OCs, researchers have gradually developed predictive models. However, research on how to evaluate the best modeling method from multiple models is still lacking. In addition, this study also introduces the environmental variable (pH) in log k model development for the first time. On this basis, eight models were developed using linear and nonlinear methods, and a comprehensive evaluation system based on the TOPSIS method was proposed. The evaluation results indicated that the CatB model (Rtra2 = 0.980, QLoo2 = 0.775, Qtest2 = 0.868) exhibited outstanding comprehensive performance and the best prediction effect. The interpretation based on the SHAP values revealed that the key influences of E(HOMO), pH, electronegativity, van der Waals surface area and molecular structure had major effects on the degradation of OCs by 1O2. Interpretable machine learning methods provide a potential shortcut for predicting k, offering significant guidance for optimizing experimental design and improving environmental management efficiency.
{"title":"Predicting Reaction Rate Constant of Organic Compounds with Singlet Oxygen and Revealing Its Contributors Using Machine Learning","authors":"Tengyi Zhu, Fulei Qi, Cuicui Tao, Yi Li, Shuyin Li, Xiaofan Lv","doi":"10.1021/acs.iecr.4c04008","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04008","url":null,"abstract":"Singlet oxygen (<sup>1</sup>O<sub>2</sub>), as an electrophilic reagent, is widely used for oxidative degradation of organic compounds (OCs). The <sup>1</sup>O<sub>2</sub> reaction rate constant (<i>k</i>) is an important index for evaluating the OCs degradation rate. Under limited conditions, owing to the difficulty in experimentally determining <i>k</i> of all OCs, researchers have gradually developed predictive models. However, research on how to evaluate the best modeling method from multiple models is still lacking. In addition, this study also introduces the environmental variable (pH) in log <i>k</i> model development for the first time. On this basis, eight models were developed using linear and nonlinear methods, and a comprehensive evaluation system based on the TOPSIS method was proposed. The evaluation results indicated that the CatB model (<i>R</i><sub>tra</sub><sup>2</sup> = 0.980, <i>Q</i><sub>Loo</sub><sup>2</sup> = 0.775, <i>Q</i><sub>test</sub><sup>2</sup> = 0.868) exhibited outstanding comprehensive performance and the best prediction effect. The interpretation based on the SHAP values revealed that the key influences of <i>E</i><sub>(HOMO)</sub>, pH, electronegativity, van der Waals surface area and molecular structure had major effects on the degradation of OCs by <sup>1</sup>O<sub>2</sub>. Interpretable machine learning methods provide a potential shortcut for predicting <i>k</i>, offering significant guidance for optimizing experimental design and improving environmental management efficiency.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"4 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435678","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}
引用次数: 0
The Case for Biojet Fuel from Bioethanol in Brazil: An Optimization-Based Analysis Using Historical Market Data
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-17 DOI: 10.1021/acs.iecr.4c03039
Madelynn J. Watson, Aline V. da Silva, Pedro G. Machado, Celma O. Ribeiro, Cláudio A.O. Nascimento, Alexander W. Dowling
Biojet fuel is an attractive option to reduce global greenhouse gas (GHG) emissions from the aviation industry. In this paper, we propose a two-stage stochastic linear program to analyze the optimal operation of an integrated sugarcane mill that produces sustainable aviation fuel (SAF) using historical time-series commodities price data from Brazil. We find currently available alcohol-to-jet (ATJ) technologies require premiums between 0.4 $ L–1 (2.07 R$ L–1) and 2 $ L–1 (10.34 R$ L–1) to incentivize biojet fuel production from sugarcane. Similarly, with emerging ATJ technologies, premiums between 0.1 $ L–1 (0.52 R$ L–1) and 1.25 $ L–1 (6.46 R$ L–1) are required. Sensitivity analysis quantifies the impact of ATJ technologies' conversion and operating costs, as well as SAF incentives, on the fraction of weeks biojet fuel production is favorable, which can guide technology and policy development. Currently, sugarcane mills are operated with little flexibility due to the structure of the Brazilian market. We also estimate that a hypothetical, fully flexible sugarcane mill could gain up to 6 million R$ per year in profit; most of this value comes from the flexible operation of the ATJ process, which motivates standalone upgrading facilities. Finally, we show how analyzing the optimality conditions of the integrated sugarcane mill allows for easy communication of optimal behavior in terms of relative product prices. These results provide a basis to guide biojet fuel policy and technology development in the context of Brazil, and these ideas can be extended to develop biojet fuel capacity and supply chains globally.
{"title":"The Case for Biojet Fuel from Bioethanol in Brazil: An Optimization-Based Analysis Using Historical Market Data","authors":"Madelynn J. Watson, Aline V. da Silva, Pedro G. Machado, Celma O. Ribeiro, Cláudio A.O. Nascimento, Alexander W. Dowling","doi":"10.1021/acs.iecr.4c03039","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03039","url":null,"abstract":"Biojet fuel is an attractive option to reduce global greenhouse gas (GHG) emissions from the aviation industry. In this paper, we propose a two-stage stochastic linear program to analyze the optimal operation of an integrated sugarcane mill that produces sustainable aviation fuel (SAF) using historical time-series commodities price data from Brazil. We find currently available alcohol-to-jet (ATJ) technologies require premiums between 0.4 $ L<sup>–1</sup> (2.07 R$ L<sup>–1</sup>) and 2 $ L<sup>–1</sup> (10.34 R$ L<sup>–1</sup>) to incentivize biojet fuel production from sugarcane. Similarly, with emerging ATJ technologies, premiums between 0.1 $ L<sup>–1</sup> (0.52 R$ L<sup>–1</sup>) and 1.25 $ L<sup>–1</sup> (6.46 R$ L<sup>–1</sup>) are required. Sensitivity analysis quantifies the impact of ATJ technologies' conversion and operating costs, as well as SAF incentives, on the fraction of weeks biojet fuel production is favorable, which can guide technology and policy development. Currently, sugarcane mills are operated with little flexibility due to the structure of the Brazilian market. We also estimate that a hypothetical, fully flexible sugarcane mill could gain up to 6 million R$ per year in profit; most of this value comes from the flexible operation of the ATJ process, which motivates standalone upgrading facilities. Finally, we show how analyzing the optimality conditions of the integrated sugarcane mill allows for easy communication of optimal behavior in terms of relative product prices. These results provide a basis to guide biojet fuel policy and technology development in the context of Brazil, and these ideas can be extended to develop biojet fuel capacity and supply chains globally.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"49 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427395","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}
引用次数: 0
Radiation Effects on the Performance of Advanced Sulfur Monochloride Chlorination Processes
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-17 DOI: 10.1021/acs.iecr.4c03798
Corey D. Pilgrim, Jacy K. Conrad, Michael E. Woods, Meghan S. Fujimoto, Gregory P. Horne
Advanced sulfur chloride-based chlorination technologies are being developed to enable efficient recycling of aluminum and zirconium-based materials used in the nuclear industry. However, the impacts of ionizing radiation on the performance of these sulfur chloride compounds are not well established, despite this being critical knowledge for assessing their feasibility and longevity under envisioned process conditions. In the present article, we report on the effects of cobalt-60 gamma irradiation (≤5 MGy) on the aluminum alloy 6061 (AA6061-T6) chlorination yield in sulfur monochloride (S2Cl2). Our findings indicate that, compared to nonirradiated solvent, radiation-induced changes in the chemical composition of S2Cl2─identified using Raman spectroscopy─afford an additional, dose-dependent exothermic process prior to the chlorination reaction’s typical thermodynamic behavior. We attribute this new process to reactions involving aluminum species (metal, oxide, or [oxy]hydroxides) and sulfur dichloride (SCl2), an S2Cl2 radiolysis product that accumulates with absorbed gamma dose, but is absent following an AA6061-T6 chlorination study. Despite the exothermicity of this new process, the overall yield of chlorination decreased with increasing preirradiation dose. Consequently, the chemical reactivity, specificity (aluminum metal vs aluminum passivation and corrosion layer constituents), and byproducts of SCl2 must be more thoroughly evaluated to support the continued development of advanced S2Cl2 chlorination technologies.
{"title":"Radiation Effects on the Performance of Advanced Sulfur Monochloride Chlorination Processes","authors":"Corey D. Pilgrim, Jacy K. Conrad, Michael E. Woods, Meghan S. Fujimoto, Gregory P. Horne","doi":"10.1021/acs.iecr.4c03798","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03798","url":null,"abstract":"Advanced sulfur chloride-based chlorination technologies are being developed to enable efficient recycling of aluminum and zirconium-based materials used in the nuclear industry. However, the impacts of ionizing radiation on the performance of these sulfur chloride compounds are not well established, despite this being critical knowledge for assessing their feasibility and longevity under envisioned process conditions. In the present article, we report on the effects of cobalt-60 gamma irradiation (≤5 MGy) on the aluminum alloy 6061 (AA6061-T6) chlorination yield in sulfur monochloride (S<sub>2</sub>Cl<sub>2</sub>). Our findings indicate that, compared to nonirradiated solvent, radiation-induced changes in the chemical composition of S<sub>2</sub>Cl<sub>2</sub>─identified using Raman spectroscopy─afford an additional, dose-dependent exothermic process prior to the chlorination reaction’s typical thermodynamic behavior. We attribute this new process to reactions involving aluminum species (metal, oxide, or [oxy]hydroxides) and sulfur dichloride (SCl<sub>2</sub>), an S<sub>2</sub>Cl<sub>2</sub> radiolysis product that accumulates with absorbed gamma dose, but is absent following an AA6061-T6 chlorination study. Despite the exothermicity of this new process, the overall yield of chlorination decreased with increasing preirradiation dose. Consequently, the chemical reactivity, specificity (aluminum metal vs aluminum passivation and corrosion layer constituents), and byproducts of SCl<sub>2</sub> must be more thoroughly evaluated to support the continued development of advanced S<sub>2</sub>Cl<sub>2</sub> chlorination technologies.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"60 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427399","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}
引用次数: 0
Experimental Study on Dynamic Evolution Characteristics of Dust Layer Structure Based on Curing Method
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-17 DOI: 10.1021/acs.iecr.4c04727
Wenhan Yu, Feng Chen, Minghua Li, Haiyu Cao, Xiaolin Wu, Zhongli Ji
The fiber filter in the engine intake system of a vehicle acts as a crucial barrier that shields the engine from damage caused by dust particles. While there has been extensive research on the filtration efficiency, dust-holding capacity and dust layer structure of this type of filter, limited research has been conducted on the dynamic evolution of dust layer particles on the surface of fiber materials (“coverage-growth-compression”) and its mechanism. In this study, a resin bonding method for low-strength fiber filter materials was proposed to cure the dust layer, and the particle deposition state in the dust layer was revealed by scanning electron microscopy. Particle aggregation and deposition theories were used to analyze the dynamic deposition process of dust layer particles at a microscopic level. The results revealed that during the coverage stage, large particles were directly deposited on the free surface following the airflow, while small particles aggregated on the surface of the filter material or large particles to form agglomerates, with bridging between the agglomerates. In the growth stage, the deposition pattern of large particles remained consistent, whereas small particles formed aggregates and particle chains within the pores of the dust layer. As particle deposition increased, the dust layer was compressed, leading to decreased porosity and nonuniformity in its structure along the thickness direction. The primary causes of dust layer compression were identified as relative particle movement, deformation and the collapse of aggregates and chains. Additionally, this study incorporated features of dust found in actual vehicle operating environments, employing 3D contour scanning technology and machine learning-based microscopic image analysis to investigate the influence of dust particle size distribution and apparent filtration gas velocity on dust layer structure. Experimental results revealed that layers containing smaller particles of equivalent mass exhibited an increased pressure drop and greater compression. Additionally, higher gas velocity during filtration decreased the porosity of the dust layer and led to a more uniform structure along the thickness direction. This study offers theoretical support and data for the optimization and development of fiber filtration media.
{"title":"Experimental Study on Dynamic Evolution Characteristics of Dust Layer Structure Based on Curing Method","authors":"Wenhan Yu, Feng Chen, Minghua Li, Haiyu Cao, Xiaolin Wu, Zhongli Ji","doi":"10.1021/acs.iecr.4c04727","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04727","url":null,"abstract":"The fiber filter in the engine intake system of a vehicle acts as a crucial barrier that shields the engine from damage caused by dust particles. While there has been extensive research on the filtration efficiency, dust-holding capacity and dust layer structure of this type of filter, limited research has been conducted on the dynamic evolution of dust layer particles on the surface of fiber materials (“coverage-growth-compression”) and its mechanism. In this study, a resin bonding method for low-strength fiber filter materials was proposed to cure the dust layer, and the particle deposition state in the dust layer was revealed by scanning electron microscopy. Particle aggregation and deposition theories were used to analyze the dynamic deposition process of dust layer particles at a microscopic level. The results revealed that during the coverage stage, large particles were directly deposited on the free surface following the airflow, while small particles aggregated on the surface of the filter material or large particles to form agglomerates, with bridging between the agglomerates. In the growth stage, the deposition pattern of large particles remained consistent, whereas small particles formed aggregates and particle chains within the pores of the dust layer. As particle deposition increased, the dust layer was compressed, leading to decreased porosity and nonuniformity in its structure along the thickness direction. The primary causes of dust layer compression were identified as relative particle movement, deformation and the collapse of aggregates and chains. Additionally, this study incorporated features of dust found in actual vehicle operating environments, employing 3D contour scanning technology and machine learning-based microscopic image analysis to investigate the influence of dust particle size distribution and apparent filtration gas velocity on dust layer structure. Experimental results revealed that layers containing smaller particles of equivalent mass exhibited an increased pressure drop and greater compression. Additionally, higher gas velocity during filtration decreased the porosity of the dust layer and led to a more uniform structure along the thickness direction. This study offers theoretical support and data for the optimization and development of fiber filtration media.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"33 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427422","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}
引用次数: 0
MOF-Based Frustrated Lewis Pairs: Expanding Horizons in Catalysis
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-17 DOI: 10.1021/acs.iecr.4c04514
Qazi Mohammad Junaid, Yong Wang, Numan Zada Khan Mohmand, Kamal Syad, Minahal Amin, Muhammad Hashir Shabir, Yiwei Liu, Xiao Feng
The integration of frustrated Lewis pairs (FLPs) into metal–organic frameworks (MOFs) has emerged as an effective approach to enhance catalytic performance and broaden the applications of FLP chemistry. MOFs, with their tunable porosity, high surface area, and modular design, offer an ideal platform for the precise construction of FLPs. This review highlights recent progress in the design and synthesis of FLP-based MOFs, categorizing the strategies into four key approaches: linker modification, node functionalization, node as Lewis acid, and intrinsic FLPs within node. The catalytic potential of these systems is explored, focusing on their ability to activate small molecules and facilitate reactions such as hydrogenation and CO2 reduction. Emerging trends are also discussed, including the expansion of the heterogeneous FLP concept, advancements in in situ characterization techniques, and the development of MOF-based FLPs for sustainable and green catalytic processes. By consolidating recent advancements, this review aims to inspire innovative strategies in materials design and catalysis.
{"title":"MOF-Based Frustrated Lewis Pairs: Expanding Horizons in Catalysis","authors":"Qazi Mohammad Junaid, Yong Wang, Numan Zada Khan Mohmand, Kamal Syad, Minahal Amin, Muhammad Hashir Shabir, Yiwei Liu, Xiao Feng","doi":"10.1021/acs.iecr.4c04514","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04514","url":null,"abstract":"The integration of frustrated Lewis pairs (FLPs) into metal–organic frameworks (MOFs) has emerged as an effective approach to enhance catalytic performance and broaden the applications of FLP chemistry. MOFs, with their tunable porosity, high surface area, and modular design, offer an ideal platform for the precise construction of FLPs. This review highlights recent progress in the design and synthesis of FLP-based MOFs, categorizing the strategies into four key approaches: linker modification, node functionalization, node as Lewis acid, and intrinsic FLPs within node. The catalytic potential of these systems is explored, focusing on their ability to activate small molecules and facilitate reactions such as hydrogenation and CO<sub>2</sub> reduction. Emerging trends are also discussed, including the expansion of the heterogeneous FLP concept, advancements in in situ characterization techniques, and the development of MOF-based FLPs for sustainable and green catalytic processes. By consolidating recent advancements, this review aims to inspire innovative strategies in materials design and catalysis.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"10 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427403","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}
引用次数: 0
Construction of Transition Metal-Based MoNi4/WO3 Heterostructure for Enhanced Hydrogen Evolution Reaction
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-17 DOI: 10.1021/acs.iecr.4c04646
Xiaoxiao Yin, Xiao Fu, Xu Liu, Yujia Wang, Yi Wang, Zhongqing Liu
The metal/metal oxide heterostructured electrocatalysts provide a potential solution for enhancing hydrogen evolution reaction (HER) performance by regulating their surface/interface electronic structure and optimizing the interfacial adsorption/desorption of reaction intermediates. By introducing Mo into a Ni and W-containing electrolyte, crystalline MoNi4 phases are induced during electrodeposition, constructing a filamentous porous MoNi4/WO3 heterostructure on a stainless steel mesh substrate. The incorporation of Mo improves the crystallinity of the catalyst surface, promoting charge transfer. The MoNi4/WO3 heterostructure facilitates the generation of abundant defect sites and oxygen vacancies, optimizing processes such as the adsorption, transfer, and desorption of H* at metal active sites, thereby significantly enhancing the electrocatalytic kinetics for HER. A stability test conducted at 100 mA cm–2 for 24 h showed minimal change in HER performance. This work provides a new approach for designing and constructing high-performance non-noble metal-based heterostructured electrocatalysts with great potential for future applications.
{"title":"Construction of Transition Metal-Based MoNi4/WO3 Heterostructure for Enhanced Hydrogen Evolution Reaction","authors":"Xiaoxiao Yin, Xiao Fu, Xu Liu, Yujia Wang, Yi Wang, Zhongqing Liu","doi":"10.1021/acs.iecr.4c04646","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04646","url":null,"abstract":"The metal/metal oxide heterostructured electrocatalysts provide a potential solution for enhancing hydrogen evolution reaction (HER) performance by regulating their surface/interface electronic structure and optimizing the interfacial adsorption/desorption of reaction intermediates. By introducing Mo into a Ni and W-containing electrolyte, crystalline MoNi<sub>4</sub> phases are induced during electrodeposition, constructing a filamentous porous MoNi<sub>4</sub>/WO<sub>3</sub> heterostructure on a stainless steel mesh substrate. The incorporation of Mo improves the crystallinity of the catalyst surface, promoting charge transfer. The MoNi<sub>4</sub>/WO<sub>3</sub> heterostructure facilitates the generation of abundant defect sites and oxygen vacancies, optimizing processes such as the adsorption, transfer, and desorption of H* at metal active sites, thereby significantly enhancing the electrocatalytic kinetics for HER. A stability test conducted at 100 mA cm<sup>–2</sup> for 24 h showed minimal change in HER performance. This work provides a new approach for designing and constructing high-performance non-noble metal-based heterostructured electrocatalysts with great potential for future applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"137 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427404","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}
引用次数: 0
Applicability of Adsorbents in Direct Air Capture (DAC): Recent Progress and Future Perspectives
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-17 DOI: 10.1021/acs.iecr.4c03265
Chong Yang Chuah, Yin Liang Ho, Abdul Moiz Hashmi Syed, K Gopala Krishnan Thivyalakshmi, Euntae Yang, Khairiraihanna Johari, Yanqin Yang, Wai Ching Poon
Carbon capture, utilization, and storage (CCUS) has been considered as an approach to mitigate CO2 emissions to achieve a net-zero target as indicated in the Paris Climate Agreement. Nevertheless, over 50% of global CO2 emissions stem from distributed sources; the incorporation of negative emission technologies (NETs) is required. Direct air capture (DAC) is recognized as one of the feasible NETs offering flexibility in installation location. This review primarily focuses on the utilization of solid sorbents, which demonstrate lower energy consumption and higher CO2/N2 selectivity compared to alternative methods (cryogenic distillation and amine scrubbing). It provides a comprehensive analysis of the performance of nonporous and nanoporous adsorbents relevant to DAC applications. Among these, amine-appended adsorbents are the key for the DAC process due to the strong affinity between CO2 and amine at low partial pressure, as highlighted in the literature. Last but not least, the future direction and the practical feasibility of the sorbent-based DAC process will be discussed to allow more effective analysis of adsorbent performance, especially in the context of the repetitive adsorption/desorption cycling process.
{"title":"Applicability of Adsorbents in Direct Air Capture (DAC): Recent Progress and Future Perspectives","authors":"Chong Yang Chuah, Yin Liang Ho, Abdul Moiz Hashmi Syed, K Gopala Krishnan Thivyalakshmi, Euntae Yang, Khairiraihanna Johari, Yanqin Yang, Wai Ching Poon","doi":"10.1021/acs.iecr.4c03265","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03265","url":null,"abstract":"Carbon capture, utilization, and storage (CCUS) has been considered as an approach to mitigate CO<sub>2</sub> emissions to achieve a net-zero target as indicated in the Paris Climate Agreement. Nevertheless, over 50% of global CO<sub>2</sub> emissions stem from distributed sources; the incorporation of negative emission technologies (NETs) is required. Direct air capture (DAC) is recognized as one of the feasible NETs offering flexibility in installation location. This review primarily focuses on the utilization of solid sorbents, which demonstrate lower energy consumption and higher CO<sub>2</sub>/N<sub>2</sub> selectivity compared to alternative methods (cryogenic distillation and amine scrubbing). It provides a comprehensive analysis of the performance of nonporous and nanoporous adsorbents relevant to DAC applications. Among these, amine-appended adsorbents are the key for the DAC process due to the strong affinity between CO<sub>2</sub> and amine at low partial pressure, as highlighted in the literature. Last but not least, the future direction and the practical feasibility of the sorbent-based DAC process will be discussed to allow more effective analysis of adsorbent performance, especially in the context of the repetitive adsorption/desorption cycling process.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"4 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427396","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}
引用次数: 0
Adsorption and Chromatographic Behavior of Dispersed Sodium Bismuthate Systems for the Separation of Americium from Curium
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-17 DOI: 10.1021/acs.iecr.4c03483
Samantha A. Labb, Ralf Sudowe
The selective partitioning of americium (Am) and curium (Cm) is integral for nuclear science areas such as the nuclear fuel cycle, stockpile stewardship, and isotope production but remains a long-standing radioanalytical challenge due to nearly identical chemical properties. Differences in redox chemistry can be exploited since Am can be oxidized to the hexavalent oxidation state. Sodium bismuthate (NaBiO3) exhibits favorable oxidation and ion exchange characteristics conducive to a rapid and efficient Am/Cm chromatographic separation. Contact of nitric acid with NaBiO3 was shown to significantly decrease the nitric acid concentration and solution volume. The adsorption, kinetic, and chromatographic behavior of Am and Cm in systems that disperse NaBiO3 in filter aids was evaluated. Dispersion of NaBiO3 increased separation factors to over 100, with rapid kinetics achieved within 1 min of contact and sustained for at least 2 h. The adsorption capacity was more than doubled from 0.066 mequiv g–1 for solid NaBiO3 alone to 0.149(6) and 0.156(9) meq g–1 when dispersed in Celite 545 and silica gel, respectively. Complete separation was achieved in all systems with ∼100% recovery in the respective eluted fractions.
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引用次数: 0
Assessment of Nylon-66 Depolymerization for Circular Economy: Kinetic Modeling, Purification, and Sustainable Design
IF 4.2 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-17 DOI: 10.1021/acs.iecr.4c04411
Adam McNeeley, Y. A. Liu
Nylon-66 is an important thermoplastic that finds widespread applications in automotive parts, electronics, and textiles. Chemical depolymerization to form nylon-66 monomers, namely, adipic acid (AA) and hexamethylene diamine (HMDA), offers an efficient method to recover value from low-purity and degraded nylon-66 waste. While chemical recycling pathways for step-growth polymers, such as PET and nylon-6, have been extensively investigated, the chemical recycling of nylon-66 is not well understood. This work presents a comprehensive assessment of the academic literature and industrial patents of the three primary types of nylon-66 depolymerization processes: acid hydrolysis, alkaline hydrolysis, and ammonolysis. We use existing data to develop a kinetic model incorporating the activity coefficient for neutral hydrolysis of nylon-66 necessary to reflect the nonideal liquid phase with high water concentration, and we include degradation reactions to model byproducts. We identify purification methods for AA, HDMA, ammonolysis products, and nylon-66 salts and describe how they can be applied to chemical recycling pathways. We present the first process model for the alkaline hydrolysis of nylon-66 leveraging innovations from PET alkaline hydrolysis and demonstrating heat integration and process intensifications, such as mechanical vapor recompression. We demonstrate that the alkaline hydrolysis process for nylon-66 consumes less energy than the comparative PET alkaline hydrolysis process, while producing higher-value products. We use this collective evaluation to provide guidance for future research to further advance nylon-66 chemical recycling.
{"title":"Assessment of Nylon-66 Depolymerization for Circular Economy: Kinetic Modeling, Purification, and Sustainable Design","authors":"Adam McNeeley, Y. A. Liu","doi":"10.1021/acs.iecr.4c04411","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04411","url":null,"abstract":"Nylon-66 is an important thermoplastic that finds widespread applications in automotive parts, electronics, and textiles. Chemical depolymerization to form nylon-66 monomers, namely, adipic acid (AA) and hexamethylene diamine (HMDA), offers an efficient method to recover value from low-purity and degraded nylon-66 waste. While chemical recycling pathways for step-growth polymers, such as PET and nylon-6, have been extensively investigated, the chemical recycling of nylon-66 is not well understood. This work presents a comprehensive assessment of the academic literature and industrial patents of the three primary types of nylon-66 depolymerization processes: acid hydrolysis, alkaline hydrolysis, and ammonolysis. We use existing data to develop a kinetic model incorporating the activity coefficient for neutral hydrolysis of nylon-66 necessary to reflect the nonideal liquid phase with high water concentration, and we include degradation reactions to model byproducts. We identify purification methods for AA, HDMA, ammonolysis products, and nylon-66 salts and describe how they can be applied to chemical recycling pathways. We present the first process model for the alkaline hydrolysis of nylon-66 leveraging innovations from PET alkaline hydrolysis and demonstrating heat integration and process intensifications, such as mechanical vapor recompression. We demonstrate that the alkaline hydrolysis process for nylon-66 consumes less energy than the comparative PET alkaline hydrolysis process, while producing higher-value products. We use this collective evaluation to provide guidance for future research to further advance nylon-66 chemical recycling.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"25 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435682","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}
引用次数: 0
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Industrial & Engineering Chemistry Research
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