Industrial & Engineering Chemistry Research最新文献

Dynamic Control to Maximize the Performance of Protein A Resin in Antibody Extraction

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-28 DOI: 10.1021/acs.iecr.4c03098

Fred Ghanem, Kirti M. Yenkie

{"title":"Dynamic Control to Maximize the Performance of Protein A Resin in Antibody Extraction","authors":"Fred Ghanem, Kirti M. Yenkie","doi":"10.1021/acs.iecr.4c03098","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03098","url":null,"abstract":"Antibody therapies are critical in treating various diseases such as cancer and autoimmune diseases. Affinity chromatography is the most expensive and necessary step in the purification of antibodies. Therefore, optimizing this step is critical to maintaining downstream operations and minimizing costs. This work uses an accurate sigmoidal model to represent the resin process condition. Unfortunately, variations in antibody concentrations and the inherent process uncertainties in biological systems make the process optimization task challenging. Therefore, we capture the uncertainties of the process via utilization of the Ito processes. After several candidate Ito processes were tested, the Brownian motion with drift was found to be most suitable for capturing the uncertainties. Thus, the deterministic ordinary differential equation model based on the method of moments is then modified into a stochastic model, which can be optimized via the stochastic optimal control strategy. Pontryagin’s maximum principle is implemented and solved for the objective function of maximizing the theoretical plate number. Successful control via flow rate adjustments led to higher antibody extraction compared to fixed flow rates, which was also confirmed experimentally. Improvements in the affinity chromatography capacity for antibodies allow for less resin use and therefore smaller systems.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"30 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143723827","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

Effective and Scalable Graphene Ink Production for Printed Microsupercapacitors

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-28 DOI: 10.1021/acs.iecr.5c00123

Yonghyun Lee, Su Bin Park, Keon-Woo Kim, Hangjun Jo, Jin Kon Kim, Se Hyun Kim, Sooman Lim, Seung Woo Lee, Chang-Ho Choi

{"title":"Effective and Scalable Graphene Ink Production for Printed Microsupercapacitors","authors":"Yonghyun Lee, Su Bin Park, Keon-Woo Kim, Hangjun Jo, Jin Kon Kim, Se Hyun Kim, Sooman Lim, Seung Woo Lee, Chang-Ho Choi","doi":"10.1021/acs.iecr.5c00123","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00123","url":null,"abstract":"Microsupercapacitors (MSCs) are increasingly important for the commercialization of miniaturized electronics thanks to their efficient use of space and seamless integration capabilities. Traditional manufacturing methods are often complex and costly, hindering large-scale production. In contrast, printing technologies offer a commercially viable alternative by enabling simpler, cost-effective, and high-output fabrication processes. Leveraging graphene, renowned for its outstanding conductivity and stability, further enhances commercial productivity by removing the need for separate current collectors, thus, streamlining manufacturing and reducing costs. This study introduces a novel fluidic liquid-phase exfoliation (FLPE) technique for creating graphene-based MSCs. By utilizing a coil-shaped tubing reactor within an ultrasonic bath, this method efficiently exfoliates graphite, yielding stable graphene inks at various concentrations. These inks are suitable for both inkjet and screen printing, forming interdigitated electrodes with decent conductivity. The resulting MSCs exhibit high areal capacitance, exceptional cycle stability, and a robust mechanical performance. Notably, inkjet-printed patterns surpass screen-printed ones in electrochemical and mechanical performance (50.6 and 40.2 μF/cm2 at 1 μA/cm2 for inkjet and screen printing, respectively) due to film morphology variations influenced by ink rheology. This research underscores the critical influence of ink rheology on the morphology and performance of printed graphene patterns, offering valuable insights into the progression of printed electronics.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"47 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143723828","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

Material Selection for Enhanced Performance in Anion Exchange Membrane Water Electrolyzers: A Study of Membranes and Gaskets

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-27 DOI: 10.1021/acs.iecr.4c04336

Kailash Singh, Kaliaperumal Selvaraj

{"title":"Material Selection for Enhanced Performance in Anion Exchange Membrane Water Electrolyzers: A Study of Membranes and Gaskets","authors":"Kailash Singh, Kaliaperumal Selvaraj","doi":"10.1021/acs.iecr.4c04336","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04336","url":null,"abstract":"Anion exchange membrane water electrolyzer (AEMWE) is an emerging technology for large-scale hydrogen production, where membrane electrode assembly (MEA) plays a critical role in the electrolyzer efficiency. This study investigates the effects of different membranes (Piperion, Aemion, and Sustainion) and gaskets (Viton, poly(tetrafluoroethylene) (PTFE), and Silicon) using a non-platinum group metal (non-PGM) bifunctional electrocatalyst under fixed compression and flow rates. Membrane properties such as ionic resistance and diffusion and gasket properties like thermal suitability and compressibility significantly affect the overall performance of AEMWE. The results indicate that Sustainion and Aemion membranes are best suited for lab-scale and industrial applications, respectively, while Silicon and PTFE gaskets are optimal for corresponding scales. Understanding these effects can help to improve the efficiency and guide material selection. This study provides valuable insights for researchers developing AEMWE technology, enabling advancements from laboratory research to megawatt-level industrial hydrogen production and supporting the transition to clean-energy solutions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"29 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713487","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

Efficient Model Predictive Control Implementation via Machine Learning: An Algorithm Selection and Configuration Approach

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-27 DOI: 10.1021/acs.iecr.4c03782

Ilias Mitrai, Prodromos Daoutidis

{"title":"Efficient Model Predictive Control Implementation via Machine Learning: An Algorithm Selection and Configuration Approach","authors":"Ilias Mitrai, Prodromos Daoutidis","doi":"10.1021/acs.iecr.4c03782","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03782","url":null,"abstract":"Model Predictive Control (MPC) is a widely used optimization-based control strategy for constrained systems. MPC relies on the repeated online solution of an optimal control problem, which determines the operation of the underlying system. However, the online solution of the optimal control problem can be computationally expensive. This necessitates a compromise between solution quality and solution time. In this paper, we propose a machine learning-based automated framework for algorithm selection and configuration for MPC applications. This framework aids the online implementation of MPC by selecting the best solution strategy and its tuning while accounting for solution quality and time. The proposed approach is applied to a mixed-integer economic MPC problem that arises in the operation of multiproduct process systems. The proposed approach allows us to (1) decide whether to use a heuristic or exact solution approach and (2) tune the exact algorithm if needed. The results show that machine learning can be used to guide the implementation of MPC and ultimately lead to lower average solution time while maintaining solution quality.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"95 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713447","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

Modeling of a Multizone Circulating Reactor for Gas-Phase Propylene (Co)Polymerization: From Pilot to Full Scale Reactors

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-27 DOI: 10.1021/acs.iecr.4c04558

Kusuma Kulajanpeng, Nida Sheibat-Othman, Wiwut Tanthapanichakoon, Timothy F. L. McKenna

{"title":"Modeling of a Multizone Circulating Reactor for Gas-Phase Propylene (Co)Polymerization: From Pilot to Full Scale Reactors","authors":"Kusuma Kulajanpeng, Nida Sheibat-Othman, Wiwut Tanthapanichakoon, Timothy F. L. McKenna","doi":"10.1021/acs.iecr.4c04558","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04558","url":null,"abstract":"A multiscale steady state model of a multizone circulating reactor (MZCR) is developed for propylene homo- and copolymerization on supported pseudo-single-site catalyst. The model includes nonideal thermodynamics to describe monomer sorption effects, a population balance to predict the particle size distribution (PSD), momentum balances to describe the residence time distribution (RTD) of the particles, and a full kinetic model to calculate the polymerization rate, cumulative molecular weight (MWD), and chemical composition (CCD) distributions of a pseudo-single-site ZN catalyst. The model was first compared with the available literature data that was based on simplified kinetics and Henry’s law for monomer sorption. The full kinetic and thermodynamic models were then included to demonstrate that they are quite important to consider. The full model was then used to understand the relationship among the reactor operating conditions, reactor performance, and product characteristics in a commercial-scale MZCR reactor. When model predictions are compared to available patent data, the proposed model is shown to be capable of describing the MZCR performance in a large-scale operation as well as predicting the monomodal and bimodal shapes of the MWDs.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"35 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713488","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

High-Performance Engineered ZIF-67@PES Beads for Uranium Extraction from Aqueous Solutions

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-27 DOI: 10.1021/acs.iecr.4c04757

Krishan Kant Singh, Gourab Karmakar, Pallavi Singhal, Adish Tyagi, Amit Kanjilal, Kamlesh K. Bairwa, Avesh K. Tyagi

{"title":"High-Performance Engineered ZIF-67@PES Beads for Uranium Extraction from Aqueous Solutions","authors":"Krishan Kant Singh, Gourab Karmakar, Pallavi Singhal, Adish Tyagi, Amit Kanjilal, Kamlesh K. Bairwa, Avesh K. Tyagi","doi":"10.1021/acs.iecr.4c04757","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04757","url":null,"abstract":"This study presents the synthesis and performance evaluation of zeolitic imidazolate framework-67 (ZIF-67) polymer composites for uranium removal from aqueous solutions. The composites were synthesized by embedding ZIF-67 into poly(ether sulfone) (PES) beads via a phase inversion technique, yielding ZIF-67@PES beads. These beads are engineered for practical application in various aqueous streams, offering enhanced stability, reusability, and ease of operation. Furthermore, the uranium sorption capacity of the ZIF-67@PES composite was systematically evaluated under various physical conditions. The study examined the pH effect and equilibration time effect on uranium sorption, revealing that the beads achieved over 90% sorption efficiency within a pH of 3–7, and optimum sorption was achieved at pH 6, aligning with the pH of most natural water bodies. Kinetic analysis revealed that equilibrium was achieved within 90 min. The Langmuir isotherm model revealed a maximum uranium adsorption capacity of 83.26 mg U/g of the sorbent. ZIF-67@PES beads exhibited a superior performance compared to several previously reported sorbents, effectively removing uranyl ions while mitigating the effects of competing ions, underscoring their suitability for seawater treatment. Additionally, the beads exhibited successful sorption–desorption cycles, which demonstrated the beads’ reusability. The superior sorption capacity, selectivity, and reusability of ZIF-67@PES beads establish them as a promising material for uranium recovery, offering a sustainable approach to nuclear fuel resource management and environmental remediation.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"72 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713489","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

Addition/Correction to ”Advancing Sewage Sludge Valorization: Sustainable Biofuel Production through First-Principles Modeling and Process Simulation”

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-27 DOI: 10.1021/acs.iecr.5c00861

Francesco Negri, Francesco Gallo, Flavio Manenti

{"title":"Addition/Correction to ”Advancing Sewage Sludge Valorization: Sustainable Biofuel Production through First-Principles Modeling and Process Simulation”","authors":"Francesco Negri, Francesco Gallo, Flavio Manenti","doi":"10.1021/acs.iecr.5c00861","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00861","url":null,"abstract":"The authors have provided a new set of Supporting Information, to maximize compatibility among users. Supporting Information now includes Aspen HYSYS simulation files in different formats, with improved convergence behavior. Furthermore, a revised TOC Graphic created according to the official ACS Guidelines has been provided. The revised TOC Graphic is entirely original, composed of unpublished artwork created by the authors. (1) The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.iecr.5c00861. Process simulation for bio-DME production developed in Aspen HYSYS software, available in multiple file formats (ZIP) Addition/Correction to ”Advancing Sewage Sludge\u0000Valorization: Sustainable Biofuel Production through First-Principles\u0000Modeling and Process Simulation” 1 views 0 shares 0 downloads Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html. This article references 1 other publications. This article has not yet been cited by other publications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"183 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713490","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

Molecular Interactions-Promoted Mass Transfer in Polymer-Stabilized Emulsions for the Biotransformation of Chlorinated Volatile Organic Compounds

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-27 DOI: 10.1021/acs.iecr.5c00129

Zhiyong Sun, Chengcheng Xu, Meng Wu, Yongyong Cao, Zhiliang Yu, Jianming Yu

{"title":"Molecular Interactions-Promoted Mass Transfer in Polymer-Stabilized Emulsions for the Biotransformation of Chlorinated Volatile Organic Compounds","authors":"Zhiyong Sun, Chengcheng Xu, Meng Wu, Yongyong Cao, Zhiliang Yu, Jianming Yu","doi":"10.1021/acs.iecr.5c00129","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00129","url":null,"abstract":"Mass transfer is critical in liquid–liquid biphasic catalysis, with considerable attention focused on enhancing mass transfer primarily through increasing the interfacial area. However, the driving force, determined by the concentration gradient, has received far less attention. In this work, we introduce an alternative approach that not only maximizes the interfacial area and minimizes the mass transfer distance but also enhances the driving force through molecular interactions between amphiphilic polymers and substrates, resulting in an enhanced mass transfer process. Specifically, an amphiphilic polymer was synthesized with a positively charged hydrophilic segment and a hydrophobic segment containing a pyridine motif. The pyridine motif facilitates the attraction of chlorobenzene and dichloromethane to the water-organic interface, creating a concentration gradient that boosts the driving force. Meanwhile, negatively charged bacteria are drawn to the interface through electrostatic interactions, further reducing the mass transfer distance. As a result, the degradation of chlorobenzene and dichloromethane was improved utmost 3- and 5-fold than their controls, respectively. Considering the diverse forms of molecular interactions, this work demonstrates the concept of enhancing the driving force to intensify mass transfer processes, offering promising avenues for improving reaction efficiency in advanced biosynthesis.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143723830","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

Federated Learning in Chemical Engineering: A Tutorial on a Framework for Privacy-Preserving Collaboration across Distributed Data Sources

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-27 DOI: 10.1021/acs.iecr.4c03805

Siddhant Dutta, Iago Leal de Freitas, Pedro Maciel Xavier, Claudio Miceli de Farias, David E. Bernal Neira

{"title":"Federated Learning in Chemical Engineering: A Tutorial on a Framework for Privacy-Preserving Collaboration across Distributed Data Sources","authors":"Siddhant Dutta, Iago Leal de Freitas, Pedro Maciel Xavier, Claudio Miceli de Farias, David E. Bernal Neira","doi":"10.1021/acs.iecr.4c03805","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03805","url":null,"abstract":"Federated Learning (FL) is a decentralized machine learning approach that has gained attention for its potential to enable collaborative model training across clients while protecting data privacy, making it an attractive solution for the chemical industry. This work aims to provide the chemical engineering community with an accessible introduction to the discipline. Supported by a hands-on tutorial and a comprehensive collection of examples, it explores the application of FL in tasks such as manufacturing optimization, multimodal data integration, and drug discovery while addressing the unique challenges of protecting proprietary information and managing distributed data sets. The tutorial was built using key frameworks such as Flower and TensorFlow Federated and was designed to provide chemical engineers with the right tools to adopt FL for their specific needs. We compare the performance of FL against centralized learning across three different data sets relevant to chemical engineering applications, demonstrating that FL will often maintain or improve classification performance, particularly for complex and heterogeneous data. We conclude with an outlook on the open challenges in federated learning to be tackled and current approaches designed to remediate and improve this framework.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"11 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713486","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

Establishing Quantitative Structure–Activity Relationships for the Degradation of Aromatic Organics by UV–H2O2 Using Machine Learning

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.4c04490

Zhongli Lu, Jiming Liu, Xuqian Zhang, Yanze Wu

{"title":"Establishing Quantitative Structure–Activity Relationships for the Degradation of Aromatic Organics by UV–H2O2 Using Machine Learning","authors":"Zhongli Lu, Jiming Liu, Xuqian Zhang, Yanze Wu","doi":"10.1021/acs.iecr.4c04490","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04490","url":null,"abstract":"The degradation of aromatic organic compounds in aquatic environments is critical due to their persistence and toxicity. This study establishes a machine learning (ML)-driven quantitative structure–activity relationship model to predict the pseudo-first-order reaction rate constants (K) for the UV–H2O2 degradation of aromatic organics. A data set comprising 134 experimental observations for 30 compounds was constructed, integrating reaction conditions, quantum chemical parameters, and physicochemical properties. Among the six ML algorithms evaluated, gradient boosting decision tree emerged as the optimal model, with feature importance analysis identifying H2O2 concentration, topological polar surface area, and q(C)min as the dominant factors. Theoretical calculations supported the model by linking higher reactivity of o,p’-dicofol to lower energy gaps and elevated electrophilic susceptibility. Additionally, the establishment of interpretable expressions not only provides transparency and clarity for model predictions but also aids in economic analysis, which highlighted that mildly acidic pH and low UV light intensity, along with suitable concentrations, are cost-effective conditions for the process. This work bridges ML with quantum chemistry to elucidate degradation mechanisms, offering a rapid and resource-efficient tool for optimizing advanced oxidation processes.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"33 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713491","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