Magdalena Saramok, , , Katarzyna Antoniak-Jurak, , , Monika Ruszak, , , Bogdan Samojeden, , , Monika Motak, , and , Marek Inger*,
{"title":"The Effect of Diffusion Limitations on the NH3–SCR Process over a Shaped Fe-Modified Clinoptilolite Catalyst","authors":"Magdalena Saramok, , , Katarzyna Antoniak-Jurak, , , Monika Ruszak, , , Bogdan Samojeden, , , Monika Motak, , and , Marek Inger*, ","doi":"10.1021/acs.iecr.5c03158","DOIUrl":"10.1021/acs.iecr.5c03158","url":null,"abstract":"<p >Research was carried out on the catalytic effect of Fe-modified clinoptilolite in the selective catalytic NO<sub><i>x</i></sub> reduction by NH<sub>3</sub> (NH<sub>3</sub>–SCR) in the real tail gas stream, taken from the Łukasiewicz – INS pilot plant for testing the ammonia oxidation process. To obtain a catalyst with the desired textural parameters and increase the acidity of a zeolite and the content of Fe<sup>3+</sup> active sites, clinoptilolite was modified with iron using a two-stage method, including dealumination and wet impregnation. Catalytic tests were performed over the shaped Fe-modified clinoptilolite to study the effect of diffusion limitations on the overall NH<sub>3</sub>–SCR reaction rate. The effectiveness factor of the catalyst shaped into pellets was determined based on the Weisz modulus. It was found that diffusion limitations influence the rate of the contact process to a greater extent, the larger the size of the shaped catalyst body. The contact process over the pellets 5.0 mm in diameter and 4.8 mm high occurred in the diffusion regime, and the diffusion limitations were influenced more by Knudsen diffusion than by molecular diffusion. Simulation calculations of the <i></i><math><msub><mi>X</mi><mrow><msub><mrow><mi>NO</mi></mrow><mrow><mi>x</mi></mrow></msub></mrow></msub><mo>=</mo><mi>f</mi><mo>(</mo><mi>T</mi><mo>,</mo><mi>τ</mi><mo>)</mo></math> relationship were performed for various sizes of the catalyst pellets. It was found that the temperature had an insignificant effect on the shaped catalyst’s performance within the considered “temperature window”. The pellet size and contact time proved to be significantly more critical for achieving high conversion.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19418–19427"},"PeriodicalIF":3.9,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.iecr.5c03158","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145153639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shahla Alizadeh, , , Souvik Ta, , , Ajay K. Ray, , and , Lakshminarayanan Samavedham*,
{"title":"Physics-Informed Neural Network with NSGA II and Levenberg–Marquardt Method for Kinetic Modeling in Heavy Oil Hydrocracking","authors":"Shahla Alizadeh, , , Souvik Ta, , , Ajay K. Ray, , and , Lakshminarayanan Samavedham*, ","doi":"10.1021/acs.iecr.5c02581","DOIUrl":"10.1021/acs.iecr.5c02581","url":null,"abstract":"<p >Accurately modeling reaction kinetics in heavy oil hydrocracking is essential for optimizing reactor performance and improving product distribution predictions. This study proposes a novel hybrid framework that integrates a physics-informed neural network (PINN) with nondominated sorting genetic algorithm II (NSGA-II) and Levenberg–Marquardt (LM) optimization method to achieve fast and accurate estimation of kinetic parameters. Unlike conventional approaches, the proposed method combines global and local search: NSGA-II generates high-quality initial parameter estimates, while LM efficiently refines them, ensuring convergence within 300 epochs. This hybrid framework leverages a neural network to model time-evolving behavior, while a Runge–Kutta–based solver enforces reaction kinetics, enabling robust kinetic parameter estimation under physical constraints. Four kinetic models previously proposed in hydrocracking research were implemented as physics constraints and systematically evaluated using the PINN framework. Among them, the most detailed, referred to here as model 4, emerged as the most comprehensive and accurate, capturing all major saturates, aromatics, resins, and asphaltenes (SARA) conversions and byproduct formation (gas and coke). Building upon this, a refined 10-parameter kinetic model was proposed by excluding three low-sensitivity reaction parameters. The simplified model preserved all dominant pathways and demonstrated excellent predictive accuracy across four temperatures (360–400 °C), total error (data + physics MSE on mass fractions) was on the order of 10<sup>–3</sup> to 10<sup>–2</sup> across training, validation, and testing, with <i>R</i><sup>2</sup> between 0.93 and 0.99. To prevent overfitting and improve generalization, early stopping and a 20% dropout strategy were employed. This study presents a novel application of a hybrid PINN framework that integrates a multiobjective evolutionary algorithm with numerical optimization for kinetic modeling in heavy oil hydrocracking. By embedding physical constraints into the learning process, the framework offers a scalable, interpretable, and accurate approach for estimating reaction parameters and capturing the dynamic behavior of the hydrocracking process.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19624–19640"},"PeriodicalIF":3.9,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145140848","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}
Fred Closmann*, , , Cameron S. Carter, , , Gary T. Rochelle, , and , Fahad Alshehri,
{"title":"Amino Acids: Critical Oxidation Products in CO2 Capture by Aqueous Piperazine","authors":"Fred Closmann*, , , Cameron S. Carter, , , Gary T. Rochelle, , and , Fahad Alshehri, ","doi":"10.1021/acs.iecr.4c03927","DOIUrl":"10.1021/acs.iecr.4c03927","url":null,"abstract":"<p >CO<sub>2</sub> capture by aqueous piperazine (PZ) or other amines must address the degradation of the amine by reaction with oxygen from the flue gas. Ammonia, ethylenediamine (EDA), formate, and oxopiperazine (OPZ) have previously been quantified as important degradation products of PZ. In this work, a quadrupole time-of-flight mass spectrometer (QTOF-MS) coupled to a high-performance liquid chromatograph (HPLC) detected six amino acids and their lactams and amides with PZ. These six amino acids were identified and quantified using anion chromatography with pulsed amperometric detection (PAD). Samples were hydrolyzed to amides with NaOH to allow analysis of the total amino acids. The hydrolyzed amino acids included aminoethylglycine (AEG), piperazineacetic acid (PZAA), glycine (GLY), and 3-oxopiperazineacetic acid (3OPZA), the lactam of ethylenediaminediacetic acid. The total amino acids in hydrolyzed pilot campaign samples were present at concentrations (140 mmol/kg), which likely enhanced the effective solubility of Fe<sup>2+</sup>/Fe<sup>3+</sup> and increased the rate of PZ oxidation.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19661–19675"},"PeriodicalIF":3.9,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145140575","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}
Giuliana V. G. Lesak, , , Marcos L. Corazza, , , Luiz Fernando de Lima Luz Jr., , and , Fernando V. Lima*,
{"title":"Biomethane and CO2-Based Biorefinery: Process Concept and Operability Analysis","authors":"Giuliana V. G. Lesak, , , Marcos L. Corazza, , , Luiz Fernando de Lima Luz Jr., , and , Fernando V. Lima*, ","doi":"10.1021/acs.iecr.5c02143","DOIUrl":"10.1021/acs.iecr.5c02143","url":null,"abstract":"<p >The climate crisis, along with the need to improve human living standards and preserve the environment, is driving the demand for processes that are sustainable in terms of emissions, heat demand, electricity sources, water usage, and food supply. Developing such processes requires renewable and sufficient raw materials, heat, power, and complex mass and heat integration schemes. In this context, a process for synthetic hydrocarbon production from biomethane with power cogeneration is proposed. Biomethane is used as a raw material for the process and for the power plant, while CO<sub>2</sub> is fed to the process in similar mass proportions to biomethane. By this process, including steam methane reforming, reverse water–gas shift, and Fischer–Tropsch synthesis (FTS) reactions, it is possible to obtain 29.3 tons/h (1048 m<sup>3</sup>/day) of synthetic liquid fuels. The process is self-sufficient in terms of water and power, and it provides a considerable amount of excess heat for byproduct generation, showing itself as a promising alternative for sustainable fuel production. Operability analyses are performed for the first time in the literature on simulations of FTS plants to assess the effect of key process input variables on the simulation convergence and process output regions. A set of 26 inequality constraints that describe the feasible input region for the process is obtained, which can be used for future optimization. The proposed approach enhances the process understanding and represents an important step forward to allow hard-to-converge flowsheet optimizations of complex and highly integrated process models.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19600–19613"},"PeriodicalIF":3.9,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.iecr.5c02143","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145140577","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Preparation and NH3-SCR Performance Study of TiVO Catalyst by Flame Synthesis Method","authors":"Bin Guan*, , , Zhongqi Zhuang, , , Lei Zhu, , , Xuehan Hu, , , Chenyu Zhu, , , Sikai Zhao, , , Junyan Chen, , , Junjie Gao, , , Kaiyou Shu, , , Hongtao Dang, , , Luyang Zhang, , , Tiankui Zhu, , , Yuan Li, , , Luoxin Xu, , , Wenbo Zeng, , , Shuai Chen, , , Linhui Wang, , , Can Zhu, , , Jiaming He, , , Qinghan Xian, , and , Zhen Huang, ","doi":"10.1021/acs.iecr.5c03140","DOIUrl":"10.1021/acs.iecr.5c03140","url":null,"abstract":"<p >One of the primary methods for reducing nitrogen oxide (NO<sub><i>x</i></sub>) emissions from diesel engines is selective catalytic reduction (SCR) technology. At medium-to-high temperatures (300–400 °C), commercial V<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> catalysts now demonstrate significant NO<sub><i>x</i></sub> reduction efficiency. The need for SCR systems to function well at low temperatures is rising as a result of more stringent requirements. Consequently, one of the most important areas of research in the field of environmental catalysis is the creation of low-temperature SCR catalysts. The physicochemical structure of catalysts can be improved and their low-temperature activity increased by using flame synthesis to create nanomaterials. In order to create NH<sub>3</sub>-SCR catalysts with high activity at low temperatures (<250 °C), this work focuses on catalytic composition and preparation techniques. To enhance vanadium-based catalysts, a premixed flame synthesis technique for SCR catalysts was created. Flame synthesis was used to create nanoscale TiVO catalysts. The structure and performance of the catalysts were thoroughly examined in relation to vanadium loading, the type and flow rate of the carrier gas, the concentration of the precursor, and the distance between the burner exit and the revolving disk. In conjunction with Chemkin computations, the catalyst particle production law was examined. It was discovered that lower flame temperature and longer residence time also produce larger manufactured catalyst particles, whereas greater precursor concentration enhances the particle collision rate, which results in larger particle size. As a result, the Ti<sub>0.9</sub>V<sub>0.1</sub>O<sub>2−δ</sub> catalyst with a vanadium loading of 6.35 wt % was optimized with a disk-to-burner distance of 20 mm, an Ar carrier gas flow rate of 17 L/min, and a precursor concentration of 304 ppm. The NO conversion efficiency of this catalyst remains above 90% within the broad temperature range of 200–400 °C. A comparison between solution combustion synthesis and premixed flame synthesis was carried out. Characterization techniques such TEM, BET, XRD, Raman, XPS, H<sub>2</sub>-TPR, and NH<sub>3</sub>-TPD were used to examine the Ti<sub>0.9</sub>V<sub>0.1</sub>O<sub>2−δ</sub> catalysts made using the two approaches. It was discovered that the flame-synthesized catalyst’s superior low-to-medium temperature performance is a result of its surface V enrichment, longer polymeric chains of surface VO<sub><i>x</i></sub> species, and dominant Bro̷nsted acid sites, despite its comparatively smaller specific surface area. Furthermore, the flame-synthesized catalyst exhibits good resistance to sulfur.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19394–19417"},"PeriodicalIF":3.9,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145133874","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}
Bernardo Zimberg*, , , Eduardo Camponogara, , and , Pablo Monzón,
{"title":"A Continuous-Time Scheduling Model for Liquefied Petroleum Gas Production, Blending and Delivery","authors":"Bernardo Zimberg*, , , Eduardo Camponogara, , and , Pablo Monzón, ","doi":"10.1021/acs.iecr.5c02011","DOIUrl":"10.1021/acs.iecr.5c02011","url":null,"abstract":"<p >Liquefied Petroleum Gases (LPG) constitute a set of leading products in the refining process. LPG primarily consists of a mixture of hydrocarbons with three and four carbons. Commercial grades commonly adhere to a set of specifications. In a configuration where blending and final product qualities are determined at a terminal and intermediate and final qualities can share capacity within a defined time horizon, the scheduler’s objective is to optimize the sequence of intermediate qualities transferred through a gas pipeline connecting the refinery to the terminal. Additionally, the scheduler must determine the optimal final quality mixtures delivered to the market while adhering to various constraints. This work aims to develop a model that optimizes the sequencing of products in the pipeline, the allocation of resources at the terminal, and the blending and delivery of final product qualities. It aims to provide an optimal solution to a real-world problem within a reasonable time frame.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19580–19599"},"PeriodicalIF":3.9,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145140920","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}
Meen Sung Koo, , , Ragab Abouzeid, , , Mohammad Shayan, , and , Qinglin Wu*,
{"title":"Performance of Oil-Based Drilling Mud Modified by Lignocellulose Nanofiber-Cottonseed Oil-Sucrose Ester Compounds at Elevated Temperatures","authors":"Meen Sung Koo, , , Ragab Abouzeid, , , Mohammad Shayan, , and , Qinglin Wu*, ","doi":"10.1021/acs.iecr.5c01970","DOIUrl":"10.1021/acs.iecr.5c01970","url":null,"abstract":"<p >Inverted-emulsion oil-based muds (OBMs) are widely used in high-temperature drilling due to their thermal stability and lubricity. However, high loadings of synthetic emulsifiers and fluid loss agents are often needed for fluid loss control, leading to environmental concerns and high costs. This study aims to develop a bioderived emulsion additive comprising lignocellulosic nanofibers (LCNFs), sucrose ester (SE), and cottonseed oil (CSO) to enhance the performance and sustainability of commercial OBM formulations. The LCNF-oil mixture (LOM) system was prepared by dispersing LCNFs (2.8 wt %) and SE (0.25–0.75 wt %) into CSO. The use of SE in the LCNF/SE system significantly improved the dispersion of LCNFs, increasing the zeta potential from −32.9 to −52.8 mV and reducing the particle size from 108 to 30 nm. In the LOM-applied OBM, yield stresses increased from 3.84 to 5.76 Pa and gel strength increased from 6.24 to 8.16 Pa, with minimal impact on plastic viscosity. With the use of LOM in the OBM, filtration performance was substantially improved, with fluid loss reduced from 12.2 to 6.0 g and filter cake thickness from 3.5 to 2.5 mm from HT/HP filtration tests. The water-wettability of the filter cake improved as shown by the decreased water contact angle from 74.1° to 43.5°. Thus, LOM functions as a multifunctional and biodegradable additive that enhances OBM rheology, filtration loss control, and wettability of the OBM, offering a promising strategy for more sustainable high-temperature drilling applications.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19459–19469"},"PeriodicalIF":3.9,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145133873","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}
Lu Zhang, , , Jianhao Qiu, , , Zongpeng Zou, , , Shengwei Tang, , and , Wenxiang Tang*,
{"title":"Z-Scheme CdS/Fe-MOF Heterojunctions Enabling Efficient Photo-Fenton Reactions through In Situ H2O2 Production","authors":"Lu Zhang, , , Jianhao Qiu, , , Zongpeng Zou, , , Shengwei Tang, , and , Wenxiang Tang*, ","doi":"10.1021/acs.iecr.5c02470","DOIUrl":"10.1021/acs.iecr.5c02470","url":null,"abstract":"<p >This work demonstrates the rational design of a Z-scheme CdS/Fe-MOF heterojunction for photo-Fenton processes utilizing in situ generated H<sub>2</sub>O<sub>2</sub> under visible light. The photocatalysts were synthesized by depositing CdS nanoparticles onto MIL-53(Fe), optimizing interfacial charge transfer and light absorption, and ensuring effective spatial segregation of photogenerated carriers, thereby maintaining robust redox potentials. The modified CdS/Fe-MOF exhibited exceptional catalytic performance, achieving 92% degradation of 40 mg·L<sup>–1</sup> tetracycline within 15 min, surpassing pure CdS (43%) and MIL-53(Fe) (30%) by factors of 2.3 and 3.3, respectively. Mechanistic studies identified on-site H<sub>2</sub>O<sub>2</sub> generation through two-step oxygen reduction (236 μmol·L<sup>–1</sup>) and its subsequent activation by Fe<sup>3+</sup>/Fe<sup>2+</sup> cycling to produce ·OH as key pathways, with h<sup>+</sup>, ·O<sub>2</sub><sup>–</sup>, <sup>1</sup>O<sub>2</sub>, and ·OH collectively driving pollutant degradation. The prepared photocatalysts demonstrated remarkable stability (>90% efficiency after five cycles) and structural integrity, attributed to the robust heterojunction interface. This study provides deep insight into designing Z-scheme photo-Fenton catalysts and advancing sustainable wastewater treatment.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19676–19683"},"PeriodicalIF":3.9,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145140645","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":"Mechanism of Selective Metal Ion Removal from Methanol Carbonylation Acetic Acid Reaction Solution by Ion Exchange Resin","authors":"Jing Yang, , , Chenyu Yu, , , Xianbing Huang, , , Jun Huang, , , Xiande Yang, , , Hongxi Zhang*, , and , Liang Wei*, ","doi":"10.1021/acs.iecr.5c02633","DOIUrl":"10.1021/acs.iecr.5c02633","url":null,"abstract":"<p >The demand for acetic acid is rising, with the methanol-based method as the main production process. However, impurity metal ions (Fe, Cr, Ni, and K) hinder catalyst activity and product purity. While ion exchange resins are used for impurity removal, their adsorption mechanisms and influencing factors are not well understood, restricting technological advancements. This study systematically examined nine types of commercial ion exchange resins, including strong acid cation, strong alkaline anion, and chelating resins, for the methanol-based circulation liquid. The type 001*7 strong acid cation exchange resin showed excellent selective adsorption for impurity ions. Static adsorption experiments examined the impact of resin dosage and contact time. Kinetic analysis using PFO, PSO, and IPD models indicated that the process is mainly chemisorption. Optimal conditions (70 g/L resin, 120 min) achieved removal efficiencies of 90.61% for Fe, 13.47% for Cr, 92.35% for Ni, and 66.46% for K, with iridium loss under 3%. Using techniques like FTIR, XPS, and zeta potential analysis, we demonstrated that the 001*7 resin effectively removes impurity ions through a combination of adsorption, electrostatic interactions, and ion exchange.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19684–19696"},"PeriodicalIF":3.9,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145127710","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":"Incorporating Cobalt to Promote the In Situ Reduction of Cu–Co/CeO2 Catalysts for Enhancing the Hydrogenation of Furfural to Furfuryl Alcohol","authors":"Jinshan Wang, , , Xitong Yao, , , Wenwen Gao, , , Yue Liang, , and , Kangjun Wang*, ","doi":"10.1021/acs.iecr.5c02565","DOIUrl":"10.1021/acs.iecr.5c02565","url":null,"abstract":"<p >Developing Cr-free and non-noble metal catalysts for the selective hydrogenation of biomass-derived furfural (FAL) to furfuryl alcohol (FOL) is highly desirable. Herein, monometallic Cu/CeO<sub>2</sub>, Co/CeO<sub>2</sub>, and bimetallic CuCo/CeO<sub>2</sub> catalysts with different amounts of cobalt were prepared by a simple coprecipitation method. The prepared catalysts were directly applied in FAL hydrogenation to FOL under near-industrial conditions without prereduction. It was observed that only 7.8 and 2.0% conversion of FAL was achieved over 10Cu/CeO<sub>2</sub> and 10Co/CeO<sub>2</sub> catalysts, respectively, while the conversion of FAL dramatically increased to 97.2% with 97.8% FOL selectivity by using 10Cu10Co/CeO<sub>2</sub> under identical reaction conditions. The physicochemical properties of the catalysts were investigated by XRD, TEM, BET, H<sub>2</sub>-TPR, and XPS. The characterization results revealed that the CuO species over the Cu-based catalysts could be reduced in situ to metallic Cu during the reaction. Moreover, the introduction of Co to the 10Cu/CeO<sub>2</sub> catalyst resulted in 10Cu10Co/CeO<sub>2</sub> exhibiting a smaller Cu particle size, favoring the formation of Cu<sup>0</sup> active species and thus enhancing the catalytic performance. A possible reaction pathway and mechanism for FAL hydrogenation over the bimetallic CuCo/CeO<sub>2</sub> catalysts was proposed.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 40","pages":"19374–19383"},"PeriodicalIF":3.9,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145127757","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}