{"title":"Co-Optimization of Design and Energy Economics of a Multi-Functional Catalytic Reactor for Combined Water–Gas Shift and COS Hydrolysis","authors":"Pranav V. Kherdekar, Shantanu Roy, Divesh Bhatia","doi":"10.1021/acs.iecr.4c03859","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03859","url":null,"abstract":"A model-based methodological framework is presented for optimization of catalytic water–gas shift (WGS) and COS hydrolysis reactions that occur during the conditioning of syngas derived from carbonaceous fuels, for 100 metric tonnes/day methanol production. A 1D + 1D model is used to simulate a conventional system of two parallel fixed-bed reactors, and the system is optimized using the multiobjective NSGA-II algorithm to achieve the desired CO conversion (40%) while maximizing the COS conversion. Pareto-optimal fronts involving decision variables such as feed split in each reactor, operating temperature, catalyst particle diameter, and quantity are obtained. Design conditions required to attain low deviation from the desired CO conversion result in a lower COS conversion. Further, the total COS conversion is predominantly dependent on the design of the WGS reactor. A multifunctional reactor is then optimized, and the required CO and COS conversions could be achieved in the optimized single reactor. Reactor designs with low feed temperatures (220–280 °C) and high molar ratio of steam and CO (>0.95) result in high COS conversions, and the former is attributed to equilibrium limitations. Techno-economic optimization of the multifunctional reactor is further performed wherein the reactor and the associated heat exchanger network are optimized simultaneously, in contrast to the conventional sequential optimization. It is shown that higher feed temperatures (283–305 °C) are preferable from the perspective of heat integration and could eliminate the need for hot utility. While a high steam-to-CO ratio (∼1) results in high COS conversion, it also results in high operating costs. The multifunctional reactor is found to yield performance comparable to that of the conventional system, albeit with a lower total annualized cost.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"121 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837363","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":"Regeneration of Spent Iron Molybdate Catalysts via Ammonia Leaching for Catalytic Methanol Oxidation to Formaldehyde","authors":"Yuji Qi, Yafei Liang, Mingli Bi, Shushuang Li, Zhen Shi, Jian Zhang, Xindang Zhang, Shuai Zhang, Yehong Wang, Feng Wang","doi":"10.1021/acs.iecr.5c00025","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00025","url":null,"abstract":"The iron molybdate (FeMo) catalyst, due to its excellent catalytic activity, has been widely used in the oxidation of methanol to produce formaldehyde, while the partial loss of active molybdenum species leads to a short lifetime. The spent FeMo catalyst is generally discarded as solid waste; however, it still contains a significant amount of molybdenum species. Thus, the recovery and regeneration of molybdenum are greatly needed, yet it remains a great challenge. In this study, ammonia leaching was applied to recover molybdenum species from the spent FeMo catalyst, achieving a high recovery efficiency of 95.3%. Based on the results from XRD, Raman, and UV–vis analyses, the spent FeMo catalyst was found to consist of MoO<sub>3</sub>, Fe<sub>2</sub>(MoO<sub>4</sub>)<sub>3</sub>, and segregated FeO<i><sub><i>x</i></sub></i>, and then, a possible process for Mo leaching was proposed: Mo species leached rapidly from MoO<sub>3</sub> at low pH values (<6.3), followed by leaching from Fe<sub>2</sub>(MoO<sub>4</sub>)<sub>3</sub> at pH > 6.3. Meanwhile, segregated FeO<i><sub><i>x</i></sub></i> remained completely insoluble. Correspondingly, Mo species were leached as Mo<sub>3</sub>O<sub>10</sub><sup>2–</sup>, MoO<sub>4</sub><sup>2–</sup>, and Mo<sub>7</sub>O<sub>24</sub><sup>6–</sup>, which depend on the pH values during the leaching process. Finally, the leached Mo species were applied to prepare fresh FeMo catalysts for methanol oxidation. It showed 99.9% methanol conversion and 89.3% formaldehyde selectivity, which was comparable to that over the industrial FeMo catalyst. It also showed excellent catalytic stability in an ∼510 h continuous life test. These findings offer a potential pathway for large-scale industrial recovery and reuse of spent FeMo catalysts and other molybdenum-containing catalysts.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"22 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837365","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}
Raj P. Singh Gaur, Thomas A. Wolfe, Scott A. Braymiller
{"title":"Sodium Carbonate-Roasting-Aqueous-Leaching Method to Process Flot-Grade Scheelite-Sulfide Tungsten Ore Concentrates","authors":"Raj P. Singh Gaur, Thomas A. Wolfe, Scott A. Braymiller","doi":"10.1021/acs.iecr.4c03754","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03754","url":null,"abstract":"Tungsten, the strongest natural metal on earth, has two main economic minerals: Wolframite (Fe,Mn)WO<sub>4</sub> and scheelite (CaWO<sub>4</sub>). Approximately two-thirds of the world’s tungsten reserves consist of scheelite deposits. Scheelite high grade ore concentrate is expected to contain more than 50% W. However, low-grade (flot grade) scheelite concentrates with W-content as low as 11% are also reported. During the scheelite ore concentration process at the mine site, two grades of ore concentrates are prepared. These are known as high grade ore concentrate containing 55–60% tungsten and flot grade ore concentrate containing 12–36% tungsten. Most APT (Ammonium Para Tungstate) producing plants prefer to process only high-grade ore concentrates. Scheelite in flot grade ore concentrates is diluted with the presence of non-tungsten minerals such as phlogopite: KMg<sub>3</sub>(Si<sub>3</sub>Al)O<sub>10</sub>(OH)<sub>2</sub>; talc: Mg<sub>3</sub>Si<sub>4</sub>O<sub>10</sub>(OH)<sub>2</sub>; calcite: CaCO<sub>3</sub>; sulfide phases such as chalcopyrite: CuFeS<sub>2</sub>; and pyrrhotite: Fe<sub>1–<i>x</i></sub>S; and calcium hydroxy apatite: Ca<sub>5</sub>(PO<sub>4</sub>)<sub>3</sub>(OH). These concentrates also contain flotation-chemicals, especially fatty acids which are not acceptable to the APT plants due to their suspected interference in the LIX (liquid ion exchange) step of the APT process. In fact, the conventional LIX process is not suitable to process flot grade scheelite ore concentrate without removing flotation chemicals and sulfide phases by heat treatment, an additional step that needs to be performed either at a third-party site, at the APT plant site or the mine site. In this paper, we propose an economic method that uses high and/or low temperature roasting of scheelite-sulfide flot grade ore concentrate in sodium carbonate. Tungsten from roasted scheelite flot concentrate is extracted in water, leaving a residue that could be disposed of or used in other applications. Sodium carbonate roasting experiments were conducted with 100 g of scheelite-sulfide flot grade ore concentrate in a furnace at the temperature 650–900 °C for 1–15 h. No oxidant, such as NaNO<sub>3</sub>, was used. The method is optimized for the amount of sodium carbonate, roasting temperature, and time as well as corrosion of the calciner tube metal. The amount of sodium carbonate used was 30–45% less than the amount of ore concentrates used in the roasting. Aqueous leaching of roasted concentrate resulted in concentrated filtrates containing 78 to120 g per liter tungsten, which can be economically processed for APT production (using LIX). The method aligns with circular hydrometallurgy for processing flot grade scheelite-sulfide ore concentrate, as it has one fewer step and uses cheaper Na<sub>2</sub>CO<sub>3</sub> in place of NaOH.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"40 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143831961","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}
Yanbo Deng, Jiacheng Gao, Anmin Zhao, Wenjia Song, Wenhua Yin, Jiaxi He, Lei Yang, Li Yuan, Yuan Wang, Like Ouyang
{"title":"Promotion Effect of Alkali Metals on Pt/Co-CeO2 Nanorod Catalysts for Low-Temperature CO Oxidation","authors":"Yanbo Deng, Jiacheng Gao, Anmin Zhao, Wenjia Song, Wenhua Yin, Jiaxi He, Lei Yang, Li Yuan, Yuan Wang, Like Ouyang","doi":"10.1021/acs.iecr.4c04731","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04731","url":null,"abstract":"Cerium-based materials show great potential in the field of CO catalytic oxidation. Introducing transition metals into CeO<sub>2</sub> can effectively increase its oxygen vacancy concentration and adjust the surface and interface structures of the catalyst. Additionally, optimizing the electronic structure of the Pt active site through alkali metals can further improve the CO oxidation activity and stability. In this work, systematic characterization techniques including XRD, TEM, and BET confirmed the uniform dispersion of alkali metals and noble metal Pt on Co-CeO<sub>2</sub> nanorods. Surface studies revealed that the alkali metals facilitated electron transfer from the support to the Pt active sites. In addition, in situ DRIFTS spectroscopy confirmed that CO catalysis oxidation on the Pt/K/Co-CeO<sub>2</sub> catalyst predominantly follows the MvK mechanism, with carbonates serving as key intermediates. The activation of gas-phase O<sub>2</sub> by abundant oxygen vacancies facilitates the generation of active oxygen species, thereby enhancing the level of CO oxidation. This study reveals promising perspectives for improving the catalysis activity of supported metal catalysts in CO oxidation through alkali metal modification.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"60 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832292","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 Studies of the Highly Active Cu–Ni/In2O3 Catalyst for CO2 Hydrogenation to Methanol","authors":"Xuewu Zhang, Liangkai Xu, Rui Zou, Chang-Jun Liu","doi":"10.1021/acs.iecr.5c00237","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00237","url":null,"abstract":"The copper-based catalysts have been extensively exploited for the hydrogenation of CO<sub>2</sub> to methanol. The In<sub>2</sub>O<sub>3</sub>-supported copper catalyst has also been investigated. However, its activity is not satisfactory, compared to that of other metal-promoted In<sub>2</sub>O<sub>3</sub> catalysts. Herein, the In<sub>2</sub>O<sub>3</sub>-supported Cu–Ni bimetallic catalyst with a high dispersion of Ni and Cu species was prepared by chemical reduction. The addition of nickel leads to significantly higher activity at each temperature tested compared to Cu/In<sub>2</sub>O<sub>3</sub>. The activity of the bimetallic catalyst is also slightly higher than that of Ni/In<sub>2</sub>O<sub>3</sub>. For example, over Cu–Ni/In<sub>2</sub>O<sub>3</sub> with a ca. 5/5 Cu/Ni weight percentage ratio, the CO<sub>2</sub> conversion reaches 12.7% at 275 °C with a methanol selectivity of 66.6% and a methanol STY of 0.46 g<sub>MeOH</sub> g<sub>cat</sub><sup>–1</sup> h<sup>–1</sup>. However, the CO<sub>2</sub> conversion and methanol selectivity are only 5.9 and 68.7% for Cu/In<sub>2</sub>O<sub>3</sub> and 12.1 and 62.7% for Ni/In<sub>2</sub>O<sub>3</sub> under the same condition. The use of Ni promotes the dispersion and activity of Cu/In<sub>2</sub>O<sub>3</sub> and improves the stability of oxygen vacancies on the surface of In<sub>2</sub>O<sub>3</sub>, inhibiting the formation of the CuIn alloy. With the assistance of nickel, the Cu species also causes the formation of strongly CO adsorbed sites, resulting in improved methanol selectivity. Moreover, the Cu–Ni bimetallic catalyst has a strong hydrogen spillover effect, leading to more oxygen vacancies and improved CO<sub>2</sub> adsorption.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"3 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837366","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":"Optimal Design of Multieffect Vacuum Membrane Distillation Modules Based on the Combination of Computational Fluid Dynamics and Design of Experiments","authors":"Weichen Jia, Xin Wang, Fang Cheng, Yulei Xing, Xiaoyue Zhao, Haiyang Chang, Zhi Wu","doi":"10.1021/acs.iecr.5c00278","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00278","url":null,"abstract":"Multieffect membrane distillation (MD) is a process that can effectively reduce the energy consumption of the MD process, and it has broad industrial application prospects in the field of concentration and reduction of wastewater. Therefore, it is crucial to develop optimum membrane modules suitable for the multieffect distillation process. This study introduces a computational fluid dynamics (CFD) and design of experiments (DOE) integrated approach for the multiobjective optimization design of multieffect VMD modules, systematically investigating the interrelationships between structural variables and their coupled effects on module performance. First, a three-dimensional CFD model was established to calculate mass transfer flux (<i>J</i><sub>v</sub>), gain output ratio (GOR), and permeate-to-feed ratio (ϕ<sub>p</sub>), and the CFD model was validated experimentally in a lab-scale VMD system. Based on the Box-Behnken response surface method (BBD response surface method), the inlet position, membrane surface length, and channel height of VMD modules were taken as variable factors to perform CFD simulation, and the response values of different variable combinations were obtained. The results show that inlet position and channel height are the main factors influencing <i>J</i><sub>v</sub>, and channel height is the main factor influencing GOR and ϕ<sub>p</sub>. Based on these results, regression equations were developed to predict <i>J</i><sub>v</sub>, GOR, and ϕ<sub>p</sub>, providing critical guidance for practical VMD module design. By application of the developed models, the structural dimensions of VMD modules were optimized to achieve concurrent improvements in both thermal efficiency and water productivity. These results establish a theoretical basis for deploying the optimized module in industrial-scale multieffect VMD systems.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"6 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837368","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}
Pengcheng Zhu, Fei Zhao*, Gang Chen, Bo Chen* and Xi Chen,
{"title":"Multi-Fidelity Predictive Modeling for Residual Oil Hydrotreating Process","authors":"Pengcheng Zhu, Fei Zhao*, Gang Chen, Bo Chen* and Xi Chen, ","doi":"10.1021/acs.iecr.4c0433310.1021/acs.iecr.4c04333","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04333https://doi.org/10.1021/acs.iecr.4c04333","url":null,"abstract":"<p >The residual oil hydrotreating process presents challenges in input–output modeling due to its complex compositions, inaccurate mechanisms, and limited available data sets. Previous efforts indicate that single-fidelity modeling based on first-principles or actual data is inadequate for predicting effluent compositions. This work proposes an improved multifidelity modeling method, termed gradient addition and factor selection based nonlinear Gaussian process (GFNGP), which effectively integrates prior mechanisms and industrial data. By incorporating gradients and selecting factors, GFNGP outperforms the traditional multifidelity nonlinear autoregressive Gaussian process, low-fidelity neural network, and high-fidelity Gaussian process. Taking the low-fidelity neural network as the baseline, GFNGP reduces prediction error by at least 27% across seven output variables. Its robustness and applicability are verified by testing different training sets, yielding median performance improvements ranging from 12% to 64%. Consequently, GFNGP is a practicable modeling strategy for the residual oil hydrotreating process and prompts the petrochemical industry to operate intelligently and efficiently.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 16","pages":"8312–8328 8312–8328"},"PeriodicalIF":3.8,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143858632","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}
Junqi Weng, Song Wen, Zhongming Shu, Jie Jiang, Guanghua Ye* and Xinggui Zhou,
{"title":"A 2D Continuum Model Based on Particle-Resolved CFD for Packed-Bed Reactors","authors":"Junqi Weng, Song Wen, Zhongming Shu, Jie Jiang, Guanghua Ye* and Xinggui Zhou, ","doi":"10.1021/acs.iecr.5c0035110.1021/acs.iecr.5c00351","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00351https://doi.org/10.1021/acs.iecr.5c00351","url":null,"abstract":"<p >Classical 2D continuum models often fail to accurately predict temperature distributions in packed bed reactors due to their reliance on empirical correlations and simplified assumptions regarding the bed structure. This work develops an improved 2D continuum model that utilizes particle-resolved computational fluid dynamics (PRCFD) simulations to determine the spatially distributed effective thermal conductivity. This model addresses the inaccuracies of classical 2D continuum models and the high computational cost of the PRCFD model. The proposed 2D continuum model is highly accurate, as demonstrated by comparisons with classical 2D continuum models in predicting radial and axial temperature profiles. Furthermore, the accuracy of the proposed model is further improved by using the sintered metal fiber method to calculate the effective thermal conductivity (2D-PW-SMF). The 2D-PW-SMF model shows excellent adaptability, yielding precise temperature predictions under various packing heights, tube-to-pellet diameter ratios, pellet shapes, inlet velocities, and temperature zones. The accuracy of the 2D-PW-SMF model is also examined using a dry reforming of methane reaction, demonstrating its great feasibility in industrial applications. This work provides a powerful and efficient tool for the design and optimization of industrial packed bed reactors.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 16","pages":"8516–8530 8516–8530"},"PeriodicalIF":3.8,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143858634","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":"Data-Driven Fluidized Bed Flow Field Reconstruction Using Limited Measurements","authors":"Xieyu He, Yu Zhang, Qiang Zhou, Xiao Chen","doi":"10.1021/acs.iecr.5c00522","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00522","url":null,"abstract":"The rapid acquisition of internal flow field data in fluidized beds is essential for applications in monitoring, prediction, risk warning, prevention, and diagnostics. This study proposes an effective approach for reconstructing the solid volume fraction field in fluidized beds based on sensor placement optimization. First, proper orthogonal decomposition (POD) is applied to the training set to reduce the dimensionality. Next, different sensor schemes are discussed, with Gappy POD utilizing sensor selection based on QR decomposition with column pivoting, reducing reconstruction errors from 671.3 and 541.0 to 58.1%, compared to random and regular sensor selection schemes. Furthermore, when the number and spatial distribution of sensors are fixed, multilayer perceptron (MLP) models deliver the best reconstruction performance, reducing errors by approximately 9%. These findings suggest that the QR sensor scheme can effectively guide sensor placement while MLP models can be employed to further optimize reconstruction accuracy.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"40 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143831968","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":"Preparation of Z-Scheme BiVO4/g-C3N4/PANI Heterojunction and Its Photocatalytic Degradation of Enrofloxacin","authors":"Hengxin Ren, Jinghang Li, Yanan Niu, Wu Zhang, Yuguang Lv, Ying Wang, Chaoyu Song","doi":"10.1021/acs.iecr.4c04717","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04717","url":null,"abstract":"This study presents the synthesis and evaluation of a BiVO<sub>4</sub>/g-C<sub>3</sub>N<sub>4</sub>/PANI ternary heterojunction photocatalyst for the degradation of enrofloxacin (ENR) under visible light irradiation. The results demonstrate that the BiVO<sub>4</sub>/g-C<sub>3</sub>N<sub>4</sub>/PANI (10%) composite achieved a 91% removal efficiency of ENR within 120 min, following first-order kinetic behavior. Moreover, the photocatalyst exhibited stable degradation performance and maintained structural integrity after five consecutive cycles. The photocatalyst was characterized by XRD, SEM, TEM, FT-IR, XPS, and UV–vis DRS. The enhanced photocatalytic performance is attributed to the Z-scheme charge transfer mechanism facilitated by PANI, which enhances the separation of photogenerated carriers and reduces their recombination rate. Radical scavenging experiments and ESR spectroscopy confirmed that superoxide radicals (•O<sub>2</sub><sup>–</sup>) and hydroxyl radicals (•OH) play dominant roles in the degradation process. Additionally, 15 degradation products of ENR were identified, and four major degradation pathways were proposed. The findings provide a theoretical basis for the application of this ternary heterojunction in environmental remediation and highlight its potential for efficient degradation of antibiotics.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"183 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832033","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}