Industrial & Engineering Chemistry Research最新文献

{"title":"Novel Decarbonized Desalination System: Technoeconomic–Environmental Feasibility with Optimal Designing","authors":"Rajdeep Mukherjee, Amiya K. Jana","doi":"10.1021/acs.iecr.5c00642","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00642","url":null,"abstract":"In this contribution, technoeconomic–environmental feasibility is explored for large-scale freshwater production via the multi-effect distillation (MED) route. Along with thermal vapor compression (TVC), its mechanical counterpart (MVC) and their optimal coupling (TVC + MVC) are introduced to retrofit with the existing MED and for a new plant. These three energy-intensified configurations are scaled up from a plant scenario prior to globally optimizing them within the framework of the genetic algorithm. To account for the impact of CO₂ emission, the cost model is updated with carbon tax indices. The proposed desalination systems are further integrated with a solar device to make them self-sustainable from an energy perspective. Finally, a comprehensive feasibility study for both the solar and nonsolar configurations of the three large-scale desalinators (capacity = 400,000 m³/day) is conducted to present a clear picture that would assist to choose the best MED option with different priorities from an economic, environmental, efficiency, and productivity perspective.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"3 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154242","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}

{"title":"Optimizing Mesoporous Structure of Nitrogen-Doped Carbon Supports to Enhance the Activity and Stability of PtCo Intermetallic Alloy toward Oxygen Reduction Reaction","authors":"Gongming Liu, Qiqi Guo, Honglai Liu, Quan Li, Jingkun Li","doi":"10.1021/acs.iecr.5c01588","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01588","url":null,"abstract":"Platinum is the most efficient electrocatalyst to accelerate the sluggish oxygen reduction reaction (ORR), a crucial process at the cathode of proton exchange membrane fuel cells (PEMFCs). Reducing platinum loading in PEMFCs is critical yet challenging due to its insufficient activity and stability. This study focuses on optimizing the mesoporous structure of nitrogen-doped carbon supports to enhance the activity and stability of the Pt-based catalysts. We synthesized nitrogen-doped mesoporous carbon (NMC) supports with different pore sizes via the hard templating method and then loaded a Pt₃Co intermetallic alloy inside the mesopores of NMCs. The resulting PtCo/NMC-4 (with an average mesopore size of ∼5 nm) catalyst exhibits superior ORR activity with a half-wave potential (<i>E</i>_1/2) of 0.939 V vs reversible hydrogen electrode and a mass activity of 2.36 A g_Pt^–1, which is about 1 order of magnitude higher than that of commercial Pt/C. Moreover, the physical confinement of mesopores and the strong metal–support interaction induced by nitrogen defects inhibit the aggregation of Pt₃Co alloy during cycling, leading to the remarkable durability of PtCo/NMC-4 with a loss in cell potential of 12.7 mV at 0.8 A cm^–2 after accelerated durability testing for 30,000 cycles. This study demonstrates the effectiveness of support optimization in enhancing the activity and stability of Pt-based ORR catalysts.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"16 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154267","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}

{"title":"An Efficient Sequential Synthesis Model for Optimization of Steam-Organic Rankine Cycles and Work–Heat Integration","authors":"Ling Li, Yu Zhuang, Yongjian Huang, Yafeng Xing, Jian Du","doi":"10.1021/acs.iecr.5c00170","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00170","url":null,"abstract":"In light of the growing tension between global energy issues and economic and social development, the necessity of energy conservation is becoming increasingly apparent. The existing studies rarely investigate the multiple energy synergistic optimization of heat allocation, heat recovery, and work–heat conversion to achieve energy savings because they are confined to mixed-integer nonlinear programs that are difficult to solve. To address this challenge, this paper proposes an efficient two-stage sequential synthesis model for the optimization of steam-organic Rankine cycles (SORC) and work–heat integration. The innovative modeling method combines the pinch-location approach with mathematical programming techniques to derive several optimal network configurations from heat supply to heat recovery by balancing exergy consumption with total annualized cost. The pressure manipulation routes of low-/high-pressure streams, SORC operating conditions, and amount of multigrade steams are simultaneously optimized to determine the minimum exergy consumption in the first stage. Work-integrated heat exchange networks (WHEN) with interstage steams are synthesized in the second stage to obtain the optimal network configurations. Two examples are tested for illustration purposes, where the SORC-integrated network exhibits a 7.6–8.4% reduction in exergy consumption compared with the nonintegrated scheme.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"45 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154241","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}

{"title":"Modified Spent FCC Catalysts with Accessible and Balanced Distribution of Acid Sites for the Stereospecific Synthesis of Turpentine into High-Quality Borneol and Associated Kinetics","authors":"Hanqi Chang, Xiaopeng Chen, Xiaoxuan Liang, Hairong Mo, Xiaojie Wei, Mingda Zhang, Linlin Wang","doi":"10.1021/acs.iecr.5c00166","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00166","url":null,"abstract":"The spent fluid catalytic cracking catalyst (SFCC), as both hazardous solid wastes and valuable resources, requires environmentally safe and resource-efficient treatment to support the sustainable development of the petrochemical industry. In this study, a ″top-down″ approach was employed to modify SFCC, aiming to address the poor selectivity of existing catalysts for endobornyl ester in the esterification of α-pinene to borneol. The BET surface area of the modified catalyst (HS-SFCC) was 143.09 m² g^–1, with a hierarchical structure consisting of mesopores of 1.3 nm and macropores ranging from 9 to 25 nm. Advanced infrared techniques with different probe molecules precisely revealed a significant number of Lewis acid sites exposed on the outer surface of HS-SFCC, along with a fraction of Brønsted acid sites at the micropore openings. The balanced distribution of accessible acid sites contributed to the remarkable catalytic performance of HS-SFCC in esterification reactions. After a 6-h esterification reaction of turpentine with HS-SFCC followed by a 1-h saponification reaction, high-quality borneol was synthesized with an endoborneol content of up to 80.5%, indicating excellent catalytic activity and high selectivity of HS-SFCC. Furthermore, HS-SFCC exhibited satisfactory stability and reusability after 12 cycles. A complex reaction network for the esterification of turpentine with oxalic acid catalyzed by the HS-SFCC catalyst was constructed, and the intrinsic kinetics of turpentine esterification were first investigated using a lumped kinetic model, with activation energies and pre-exponential factors calculated from the Arrhenius relationship. The activation energies for the main esterification ranged from 99.46 to 115.63 kJ mol^–1.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"5 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146263","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}

{"title":"Experimental Study on Inductive Heating Characteristics and Motion Behaviors of Metal Particles under Alternating Magnetic Field","authors":"Jiarui Wang, Yinglong Wu, Yang Liu, Simin Wang","doi":"10.1021/acs.iecr.5c01414","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01414","url":null,"abstract":"Induction heating, characterized by rapid and clean heat generation, has seen emerging applications in industrial processing, such as heating and sterilization in the food industry. Currently, the primary method for fluid heating involves heat transfer through metal pipe walls, which suffers from significant temperature inhomogeneity. Heating metal particles within pipes can substantially improve thermal uniformity but encounters challenges of lower heating efficiency that hinder industrial adoption. Therefore, this study systematically investigates the induction heating power and energy conversion efficiency of metal particles with various properties under different excitation conditions, while also analyzing particulate flow behavior under alternating magnetic fields. The results show that the heat power and efficiency of nickel-coated iron particles increase with the excitation current, particle diameter, and bed mass and are superior to those of copper particles. However, due to magnetization caused by the alternating magnetic field, the fluidization behavior of nickel-coated iron particles deteriorates as the excitation current increases. In contrast, the motion of copper particles under an alternating magnetic field shows little difference compared to their behavior without the magnetic field, resulting in better fluidization performance than nickel-coated iron particles.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"50 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154244","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}

{"title":"Learning System Physics Using Symbolic Neural Integration (SyNISM) with Applications to Chemical Processes","authors":"Deepak Kumar, Vinayak Dixit, Manojkumar Ramteke, Hariprasad Kodamana","doi":"10.1021/acs.iecr.5c00107","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00107","url":null,"abstract":"Learning the underlying physics of complex systems is a fundamental step in advancing data-driven modeling and engineering design. Symbolic regression (SR) is crucial for deriving data-driven, interpretable mathematical models that provide insights into complex systems, particularly in chemical engineering. While neural networks (NNs) excel at modeling nonlinear relationships, they often lack interpretability, making it difficult to extract explicit mathematical expressions. SR addresses this challenge, but combining it with NNs presents difficulties in handling complex mathematical operations, such as multiplication, division, and transcendental functions. To address these challenges, we propose a hybrid framework, SyNISM, that learns system physics by combining SR and NNs. Using a parameter hypernetwork to dynamically generate sparse parameters, SyNISM ensures interpretability while learning physically consistent representations of the system dynamics. This approach resolves challenges related to the differentiability and parameter selection using custom activation functions and probabilistic sampling. The framework is validated through case studies on batch reactors, continuous stirred tank reactors (CSTRs), series reactions, unsteady-state heat transfer, and thermophysical property modeling, where it accurately learns underlying physics and produces symbolic equations aligned with analytical solutions. SyNISM also performed better than traditional SR approaches in more than 75% of the applied cases in predicting beyond the training data.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"59 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146261","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}

{"title":"State-of-the-Art Achievements and Challenges in Photochemical Conversion of Plastics to Chemicals and Composites","authors":"Arindam Modak, Jiamin Zheng, Fanyu Wang, Ailijiang Tuerdi, Abdukader Abdukayum, Xiao Liu","doi":"10.1021/acs.iecr.5c01002","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01002","url":null,"abstract":"Plastics are low-cost materials characterized by their lightweight nature, ease of handling, and high mechanical strength, rendering them highly useful in daily life. Despite the advantages, the detrimental effects of plastics on the environment are rapidly increasing, which results in environmental damage and widespread pollution around the world. In this regard, incineration and disposal of waste plastics in landfills would generate tremendous amounts of microplastics that damage biodiversity. In contrast to thermocatalytic methods, photochemical conversion of plastics is considered promising and has garnered quite a bit of attention. This Review highlights the difficulties and current developments in the pretreatment methods and photocatalytic upcycling of different plastic polymers. To effectively interact with catalysts, pretreatment techniques are necessary to overcome the inherent chemical inertness and insolubility of plastics. The light-driven upcycling mechanisms of polyethylene (PE), polyethylene terephthalate (PET), polyurethane (PU), and polyamide (PA) are examined, and their interactions with various photocatalysts (organic, inorganic, hybrid, 2D materials, metal single atoms) are reviewed. Furthermore, we highlight the economic and environmental sustainability of photocatalytic plastic conversion. To achieve selective plastic conversion, heterogeneous photocatalysts are clarified with an emphasis on the mechanism of photoexcitation and redox reactions. Importantly, this Review presents a range of photocatalysts, and their design principles which could effectively convert different plastic wastes into hydrogen and other value-added chemicals without complete mineralization to CO₂. Hence, this photochemical approach is promising for mitigating greenhouse gas emissions. Such circumstances contribute to the reduction of pollution and are crucial for advancing a more circular economy. The main ideas and developments in the field of photocatalyst-based plastic upcycling showcase the importance of this technology for resource recovery and sustainable waste management policies. At the end, the limitations and the scope of future research directions are summarized.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"83 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146269","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}

{"title":"Cooperative Effect of Pd2+ and Pd0 in Selective Hydrogenation of Nitrile Rubber","authors":"Jing Wu, Yi Chen, Molin Xia, Songtao Huang, Guanglu Dong, Jianfeng Li, Xiaonian Li, Zhongzhe Wei, Jianguo Wang","doi":"10.1021/acs.iecr.5c00504","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00504","url":null,"abstract":"The selective hydrogenation of nitrile butadiene rubber (NBR) to hydrogenated nitrile butadiene rubber (HNBR) plays a crucial role in automotive, aerospace, and other industries. However, this reaction faces challenges, including low activity, poor stability, and an unclear deactivation mechanism of the catalyst. In this work, Pd/Al₂O₃ with a Pd²⁺ content exceeding 60% was synthesized through a one-step process involving high-temperature pyrolysis and rapid cooling. Under extremely mild reaction conditions of 30 °C and 0.1 MPa, the Pd/Al₂O₃ catalyst achieves efficient hydrogenation of NBR, with a hydrogenation degree of NBR exceeding 99 and 100% selectivity for HNBR within 2 h. Through a series of characterizations and experimental analyses, it was revealed that the primary reason for catalyst deactivation is the change in the electronic structure of Pd, specifically, the <i>in situ</i> reduction of some Pd²⁺ in the catalyst to Pd⁰ during the reaction process. By precise control of the proportion of Pd²⁺ in the catalyst, a linear relationship between the Pd²⁺ content and the hydrogenation degree of NBR was established. The synergistic effect of Pd²⁺ and Pd⁰ synergistically reduces the reaction energy barriers, thereby enhancing the catalyst activity.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"29 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146325","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}

{"title":"Ruthenium Complexes for Asymmetric Hydrogenation and Selective Dehalogenation Revealed via Bayesian Optimization","authors":"Chasheng He, Guihua Luo, Weike Su, Hongliang Duan, Yuanyuan Xie, Guijun Zhang, An Su","doi":"10.1021/acs.iecr.5c00488","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00488","url":null,"abstract":"In this study, we report the discovery of ruthenium complexes that enable efficient asymmetric hydrogenation (AH) of ketones and selective dehalogenation. Using Bayesian optimization-assisted multiparameter screening, we identified ruthenium catalysts exhibiting distinct temperature-dependent behaviors. Below 129 °C, these catalysts achieve AH of aryl ketone halides with up to 99% conversion and &gt;99% enantiomeric excess (ee), without hydrodehalogenation. Above this temperature, catalyst decomposition generates a ruthenium species that selectively promotes base-free dehalogenation using ethanol as a hydrogen donor, achieving yields up to 95%. Unlike conventional hydrodehalogenation catalyzed by metals such as Pd, Ni, or Rh, this method avoids the need for strong bases and hydrogen. These diverse catalytic activities were applied to synthesize the chiral fluoroiodobenzyl alcohol <b>2C</b>, a key intermediate of Lorlatinib, in 60% yield with 94% ee, and to selectively dechlorinate an Ipragliflozin intermediate with a 64% yield. This work highlights the potential of ruthenium complexes for sustainable and selective catalysis.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"7 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154245","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}

{"title":"O-Regulated N-Terminal Achieves Efficient Photocatalysis through Electronegativity-Induced Band Engineering","authors":"Shiyu Sun, Bin Lu, Hongxun Hao, Jiangna Xing, Zijian Zhou, Xue Bai, Khadija Tabassum, Na Wang, Ting Wang, Xin Huang","doi":"10.1021/acs.iecr.5c00700","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00700","url":null,"abstract":"Band engineering has garnered significant attention for its role in tailoring the band structures of g-C₃N₄, which is crucial for enhancing the light collection and conversion processes. In this paper, a novel visible-light-driven g-C₃N₄ was synthesized by a simple and efficient thermal polymerization method, and the morphology and bandgap were modulated by incorporating a high electronegativity oxygen element (O). Scanning electron microscopy (SEM), Fourier transform infrared (FT-IR), X-ray powder diffraction (XRD), etc., were applied to analyze the morphology and chemical structure of the samples and the photogenerated charges separation performance was also investigated by ultraviolet–visible diffuse reflectance spectroscopy (UV–vis DRS), electrochemical impedance spectroscopy (EIS), etc. Besides, tetracycline (TC) photodegradation efficiency was tested, and the results show that the reaction rate constant and removal rate of MG0.002 are 0.0933 min^–1 and 81.6% (within 60 min), and the recyclability and adaptability are excellent. Moreover, the mechanism of O regulatory was studied by element analyzer (EA) and X-ray photoelectron spectroscopy (XPS), and the results indicate that sp²-hybridized N atoms are preferentially replaced by O atoms in the MG0.02 structure. Finally, the TC degradation enhancement mechanism was investigated and the results indicated that the electrons were redistributed due to the influence of high electronegativity oxygen, which can not only generate midgap states and promote the visible light absorption, but also realize the effective transfer and separation of photogenerated carriers, thus significantly improving the photocatalytic activity.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"51 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146265","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}