Pub Date : 2025-02-12DOI: 10.1016/j.ces.2025.121359
Yi Shi, Weimin Zhong, Xin Peng, Kaixun He, Dong Xue
Catalytic Reforming (CCR) units are pivotal in refining industries for hydrogen and aromatics production. Traditional CCR optimization, focusing on operational conditions and lumping kinetics, fails to capture molecular interactions and feedstock variability, leading to inefficiencies. This research introduces a CCR optimization framework leveraging molecular reconstruction adaptable to minor feedstock changes. We propose the Transformer-driven Entropy Maximization (TREM) method, integrating historical data to improve naphtha composition accuracy. A molecular-level CCR kinetic model is then developed, linked to the TREM method, within a multi-objective optimization (MOO) framework for enhanced production adaptability. Furthermore, we introduce the Online Synchronized Learning Multi-Objective Optimization (OSLMOO) method, applying online learning to a meta-heuristic algorithm, reducing computational complexity and enhancing adaptability to property and market fluctuations. These methods collectively enhance the efficiency and profitability of CCR operations by overcoming the limitations of traditional optimization approaches.
{"title":"Molecular Management in Continuous Catalytic Reforming Operations by Enhanced Aromatics Production through Transformer-Driven Entropy Maximization Reconstruction","authors":"Yi Shi, Weimin Zhong, Xin Peng, Kaixun He, Dong Xue","doi":"10.1016/j.ces.2025.121359","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121359","url":null,"abstract":"Catalytic Reforming (CCR) units are pivotal in refining industries for hydrogen and aromatics production. Traditional CCR optimization, focusing on operational conditions and lumping kinetics, fails to capture molecular interactions and feedstock variability, leading to inefficiencies. This research introduces a CCR optimization framework leveraging molecular reconstruction adaptable to minor feedstock changes. We propose the Transformer-driven Entropy Maximization (TREM) method, integrating historical data to improve naphtha composition accuracy. A molecular-level CCR kinetic model is then developed, linked to the TREM method, within a multi-objective optimization (MOO) framework for enhanced production adaptability. Furthermore, we introduce the Online Synchronized Learning Multi-Objective Optimization (OSLMOO) method, applying online learning to a meta-heuristic algorithm, reducing computational complexity and enhancing adaptability to property and market fluctuations. These methods collectively enhance the efficiency and profitability of CCR operations by overcoming the limitations of traditional optimization approaches.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"63 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393313","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-12DOI: 10.1016/j.ces.2025.121323
Chengyu Wang , Wei Wang , Yanji Sun , Yanqiu Pan , Chuanzhi Jia
Hybrid modeling of fluidized bed reactor (FBR) remains as a challenging issue. A novel hybrid model was developed for the real-time optimization and control of FBR in the methanol to olefin (MTO) process. Specifically, a pseudo-homogeneous moving bed reactor (PHMBR) model was proposed as an approximation of the FBR, and then a correction model based on the artificial neural network (ANN) was adopted to compensate errors. A data expansion method based on the bootstrap algorithm was used to supplement insufficient training data for the ANN. Two hybrid models with deviation correction and factor correction were compared in order to attain the better predictive performance. The results showed that the hybrid model of MTO-FBR with factor correction could predict FBR outlet parameters with solution time below 0.03 s, RMSE below 2.85, and MRE below 7.63 %. The proposed modeling approach is expected to provide a new strategy for other reaction processes.
{"title":"Hybrid modeling of methanol to olefin fluidized bed reactor corrected by artificial neural network","authors":"Chengyu Wang , Wei Wang , Yanji Sun , Yanqiu Pan , Chuanzhi Jia","doi":"10.1016/j.ces.2025.121323","DOIUrl":"10.1016/j.ces.2025.121323","url":null,"abstract":"<div><div>Hybrid modeling of fluidized bed reactor (FBR) remains as a challenging issue. A novel hybrid model was developed for the real-time optimization and control of FBR in the methanol to olefin (MTO) process. Specifically, a pseudo-homogeneous moving bed reactor (PHMBR) model was proposed as an approximation of the FBR, and then a correction model based on the artificial neural network (ANN) was adopted to compensate errors. A data expansion method based on the bootstrap algorithm was used to supplement insufficient training data for the ANN. Two hybrid models with deviation correction and factor correction were compared in order to attain the better predictive performance. The results showed that the hybrid model of MTO-FBR with factor correction could predict FBR outlet parameters with solution time below 0.03 s, RMSE below 2.85, and MRE below 7.63 %. The proposed modeling approach is expected to provide a new strategy for other reaction processes.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121323"},"PeriodicalIF":4.1,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143401381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-12DOI: 10.1016/j.ces.2025.121362
Maryam Naseer , Sadia Nazir , Abida Kausar , Muhammad Abid Rashid , Muhammad Usman , Rehana Naseer , Jibran Iqbal
HKUST-1, graphene oxide (GO), and their composite (HKUST-1/GO) were synthesized and characterized via FTIR, XRD, SEM, BET, and TGA. The composite was evaluated for the adsorption of Astrazon Pink FG, Cationic Red 3R, and Basic Yellow 28 dyes. Batch adsorption experiments were conducted to optimize key parameters, with maximum removal observed under the following conditions: AP FG (pH 9, contact time 80 min, 30 °C), CR 3R (pH 11, contact time 80 min, 30 °C), and BY 28 (pH 10, contact time 20 min, 30 °C). The HKUST-1/GO composite exhibited high removal efficiencies of 82.35 % (AP FG), 78.73 % (CR 3R), and 75.89 % (BY 28), with corresponding maximum adsorption capacities of 7.445 mg/g, 6.42 mg/g, and 5.58 mg/g, respectively. The adsorption followed a pseudo-second-order model and well described by Freundlich, Langmuir, Halsey, and Temkin isotherms models. Thermodynamic parameters confirmed spontaneous, exothermic dyes adsorption onto HKUST-1/GO, effectively treating industrial effluent.
{"title":"Enhanced removal of cationic dyes using copper-based MOF-graphene oxide composite: Synthesis, characterization and performance evaluation","authors":"Maryam Naseer , Sadia Nazir , Abida Kausar , Muhammad Abid Rashid , Muhammad Usman , Rehana Naseer , Jibran Iqbal","doi":"10.1016/j.ces.2025.121362","DOIUrl":"10.1016/j.ces.2025.121362","url":null,"abstract":"<div><div>HKUST-1, graphene oxide (GO), and their composite (HKUST-1/GO) were synthesized and characterized via FTIR, XRD, SEM, BET, and TGA. The composite was evaluated for the adsorption of Astrazon Pink FG, Cationic Red 3R, and Basic Yellow 28 dyes. Batch adsorption experiments were conducted to optimize key parameters, with maximum removal observed under the following conditions: AP FG (pH 9, contact time 80 min, 30 °C), CR 3R (pH 11, contact time 80 min, 30 °C), and BY 28 (pH 10, contact time 20 min, 30 °C). The HKUST-1/GO composite exhibited high removal efficiencies of 82.35 % (AP FG), 78.73 % (CR 3R), and 75.89 % (BY 28)<strong>,</strong> with corresponding maximum adsorption capacities of 7.445 mg/g, 6.42 mg/g, and 5.58 mg/g, respectively. The adsorption followed a pseudo-second-order model and well described by Freundlich, Langmuir, Halsey, and Temkin isotherms models. Thermodynamic parameters confirmed spontaneous, exothermic dyes adsorption onto HKUST-1/GO, effectively treating industrial effluent.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121362"},"PeriodicalIF":4.1,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-12DOI: 10.1016/j.ces.2025.121360
E.M. Ofuchi , H. Stel , E. Mancilla , R.E.M. Morales
This work uses Particle Image Velocimetry (PIV) to calculate the liquid flow field in a radial centrifugal rotor operating with single and two-phase air–water flows. Different liquid and gas flow rates, as well as different rotating speeds, were tested. Results have shown that the liquid velocity presented slight changes, whereas the turbulent kinetic energy and the turbulent shear stress increased for a small gas volume fraction. However, increasing the mean bubble diameter at the intake has reduced the turbulent kinetic energy. This effect could be due to the energy absorption on the surface of the bubbles. Moreover, the turbulent has increased by increasing the liquid flow rate while keeping the gas flow rate fixed. The findings from this work shed light on the gas-phase effect over the liquid flow field, especially on bubble-induced turbulence. Furthermore, the results presented herein can be useful for numerical modeling validation and for improving models such as turbulence enhancement or suppression caused by bubbles.
{"title":"Two-phase flow Investigation in a centrifugal rotor through particle image velocimetry","authors":"E.M. Ofuchi , H. Stel , E. Mancilla , R.E.M. Morales","doi":"10.1016/j.ces.2025.121360","DOIUrl":"10.1016/j.ces.2025.121360","url":null,"abstract":"<div><div>This work uses Particle Image Velocimetry (PIV) to calculate the liquid flow field in a radial centrifugal rotor operating with single and two-phase air–water flows. Different liquid and gas flow rates, as well as different rotating speeds, were tested. Results have shown that the liquid velocity presented slight changes, whereas the turbulent kinetic energy and the turbulent shear stress increased for a small gas volume fraction. However, increasing the mean bubble diameter at the intake has reduced the turbulent kinetic energy. This effect could be due to the energy absorption on the surface of the bubbles. Moreover, the turbulent has increased by increasing the liquid flow rate while keeping the gas flow rate fixed. The findings from this work shed light on the gas-phase effect over the liquid flow field, especially on bubble-induced turbulence. Furthermore, the results presented herein can be useful for numerical modeling validation and for improving models such as turbulence enhancement or suppression caused by bubbles.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121360"},"PeriodicalIF":4.1,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143401380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-11DOI: 10.1016/j.ces.2025.121351
Yida Li , Liping Dong , Bo Li , Yun Li , Pei Shi , Hao Yang , Nianke Zheng , Zhongqi Ren , Zhiyong Zhou
In this research, the rare earth elements in NdFeB wastes were recovered by combining chlorinated roasting and citric acid leaching. The NdFeB waste was first leached, and the maximum leaching efficiency of Nd reached up to 65.46 % under the conditions with citric acid concentration of 1.0 mol/L, leaching temperature of 90 °C, leaching time of 5 h, and liquid–solid ratio of 50/1 (ml/g). After that the waste was subjected to chlorinated roasting. Ammonium chloride was used as the chlorination reagent with the addition of ammonium chloride at a mass ratio of 3:1, the roasting temperature of 400 °C, and the roasting time of 2 h. The leaching efficiency of Nd after chlorinated roasting was increased to 94.2 % by using citric acid leaching. Nd was finally recovered by oxalic acid precipitation, and the obtained rare earth oxalate was roasted to obtain a rare earth oxide product with a purity of 93.51 %.
{"title":"Selective recovery of neodymium from NdFeB wastes by chlorinated roasting and citric acid leaching","authors":"Yida Li , Liping Dong , Bo Li , Yun Li , Pei Shi , Hao Yang , Nianke Zheng , Zhongqi Ren , Zhiyong Zhou","doi":"10.1016/j.ces.2025.121351","DOIUrl":"10.1016/j.ces.2025.121351","url":null,"abstract":"<div><div>In this research, the rare earth elements in NdFeB wastes were recovered by combining chlorinated roasting and citric acid leaching. The NdFeB waste was first leached, and the maximum leaching efficiency of Nd reached up to 65.46 % under the conditions with citric acid concentration of 1.0 mol/L, leaching temperature of 90 °C, leaching time of 5 h, and liquid–solid ratio of 50/1 (ml/g). After that the waste was subjected to chlorinated roasting. Ammonium chloride was used as the chlorination reagent with the addition of ammonium chloride at a mass ratio of 3:1, the roasting temperature of 400 °C, and the roasting time of 2 h. The leaching efficiency of Nd after chlorinated roasting was increased to 94.2 % by using citric acid leaching. Nd was finally recovered by oxalic acid precipitation, and the obtained rare earth oxalate was roasted to obtain a rare earth oxide product with a purity of 93.51 %.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121351"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393759","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-11DOI: 10.1016/j.ces.2025.121350
Xin Zhou , Zhibo Zhang , Huibing Shi , Deming Zhao , Yaowei Wang , Haiyan Luo , Hao Yan , Weitao Zhang , Lianying Wu , Chaohe Yang
This study proposed a hybrid model employing molecular-level process mechanism and data-driven surrogate optimization. We applied the hybrid model to realize the many-objective optimization for industrial chemical engineering process. The hybrid model is applied as an optimization paradigm in a novel processing route that maximizes chemicals from offshore crude oil. Molecular-level modeling procedures driven by mechanism models were employed to boost the deep learning database. Our methodology can be extended to general chemical engineering processes. A comparative analysis and evaluation by the hybrid model that is compared with the conventional direct solving model are implemented under varying operating modes. The proposed framework highlights significant arithmetic power advantages. Ulteriorly, two scenarios are assessed via employing the life cycle outlook. Results indicate that the orientation towards producing high-octane gasoline exhibits significantly 2.91% less non-renewable energy and 4.85% less CO2 emissions compared with the orientation towards maximizing chemicals.
{"title":"Computer-aided many-objective optimization framework via deep learning surrogate models: Promoting carbon reduction in refining processes from a life cycle perspective","authors":"Xin Zhou , Zhibo Zhang , Huibing Shi , Deming Zhao , Yaowei Wang , Haiyan Luo , Hao Yan , Weitao Zhang , Lianying Wu , Chaohe Yang","doi":"10.1016/j.ces.2025.121350","DOIUrl":"10.1016/j.ces.2025.121350","url":null,"abstract":"<div><div>This study proposed a hybrid model employing molecular-level process mechanism and data-driven surrogate optimization. We applied the hybrid model to realize the many-objective optimization for industrial chemical engineering process. The hybrid model is applied as an optimization paradigm in a novel processing route that maximizes chemicals from offshore crude oil. Molecular-level modeling procedures driven by mechanism models were employed to boost the deep learning database. Our methodology can be extended to general chemical engineering processes. A comparative analysis and evaluation by the hybrid model that is compared with the conventional direct solving model are implemented under varying operating modes. The proposed framework highlights significant arithmetic power advantages. Ulteriorly, two scenarios are assessed via employing the life cycle outlook. Results indicate that the orientation towards producing high-octane gasoline exhibits significantly 2.91% less non-renewable energy and 4.85% less CO<sub>2</sub> emissions compared with the orientation towards maximizing chemicals.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121350"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Exploiting highly active heterogeneous catalysts is vital for depolymerizing lignin. Herein, a NiRu/Al2O3-IT catalyst via simple in situ topological transformation of layered double hydroxide was fabricated for catalytic transfer hydrogenolysis of enzymatic hydrolysis lignin (EHL). Model compounds containing aryl ether bonds and C–C linkages can be effectively cleaved and hydrogenated, respectively over the catalyst under mild conditions, indicating the high activity. Effect of reaction temperature on NiRu/Al2O3-IT catalytic performance for EHL hydrogenolysis and the resulting soluble portion (SP) composition was comparatively explored. The results exhibit that strong interaction between Ni and Ru and high dispersion of NiRu/Al2O3-IT are responsible for the efficient cleavage of ether bonds in EHL. The submaximum and maximum yields of SP with high monomers/dimers contents were acquired at 210 (SP210) and 300 °C (SP300), respectively. Monomeric phenols detected in SP210 accounts for 69% of total organic compounds, while considerable hydrogenated compounds were identified in SP300. In addition, more lowly condensed oxygenates with less oxygen atoms were analyzed in SP300 with FTICRMS, indicating that hydrogenation and deoxygenation were significantly enhanced with NiRu/Al2O3-IT at higher temperature, which was also proved by ultimate and 2D HSQC NMR analyses.
{"title":"Temperature regulating the directional catalytic transfer hydrogenolysis of lignin over a in situ topologically prepared NiRu/Al2O3","authors":"Hong-Lei Yan, Hai-Tao Wang, Sheng-Chi Xia, Wei-Dong Zhang, Zhan-Ku Li, Zhi-Ping Lei, Shi-Biao Ren, Zhi-Cai Wang, Heng-Fu Shui","doi":"10.1016/j.ces.2025.121328","DOIUrl":"10.1016/j.ces.2025.121328","url":null,"abstract":"<div><div>Exploiting highly active heterogeneous catalysts is vital for depolymerizing lignin. Herein, a NiRu/Al<sub>2</sub>O<sub>3</sub><em>-I</em><sub>T</sub> catalyst <em>via</em> simple <em>in situ</em> topological transformation of layered double hydroxide was fabricated for catalytic transfer hydrogenolysis of enzymatic hydrolysis lignin (EHL). Model compounds containing aryl ether bonds and C–C linkages can be effectively cleaved and hydrogenated, respectively over the catalyst under mild conditions, indicating the high activity. Effect of reaction temperature on NiRu/Al<sub>2</sub>O<sub>3</sub>-<em>I</em><sub>T</sub> catalytic performance for EHL hydrogenolysis and the resulting soluble portion (SP) composition was comparatively explored. The results exhibit that strong interaction between Ni and Ru and high dispersion of NiRu/Al<sub>2</sub>O<sub>3</sub>-<em>I</em><sub>T</sub> are responsible for the efficient cleavage of ether bonds in EHL. The submaximum and maximum yields of SP with high monomers/dimers contents were acquired at 210 (SP<sub>210</sub>) and 300 °C (SP<sub>300</sub>), respectively. Monomeric phenols detected in SP<sub>210</sub> accounts for 69% of total organic compounds, while considerable hydrogenated compounds were identified in SP<sub>300</sub>. In addition, more lowly condensed oxygenates with less oxygen atoms were analyzed in SP<sub>300</sub> with FTICRMS, indicating that hydrogenation and deoxygenation were significantly enhanced with NiRu/Al<sub>2</sub>O<sub>3</sub>-<em>I</em><sub>T</sub> at higher temperature, which was also proved by ultimate and 2D HSQC NMR analyses.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121328"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-11DOI: 10.1016/j.ces.2025.121361
Shuwen Ke , Matin Naghizadeh , Longhui Sun , Huijia Jin , Sheying Dong , Tinglin Huang
Excessive ammonia nitrogen (NH4+-N) in wastewater worsens the living conditions of aquatic organisms and causes chronic poisoning of humans. In this work, the ZnFe2O4/TiO2 p-n heterojunction photocatalyst was prepared to remove NH4+-N. ZT-10 (the molar ratio of ZnFe2O4 to TiO2 was 1:10) removed 98.52 % of NH4+-N (50 mg/L) at pH 10 in 90 min with a stabilized crystal structure maintained over four cycles. The experiment results demonstrated universal adaptability to various representative contaminants in actual waters. The meaningful roles of superoxide radical (∙O2−), hydroxyl radical (∙OH), and holes (h+) in NH4+-N photoreduction were confirmed by radical trapping experiments. The photocatalytic mechanism revealed that the improvement of photodegradation activity was primarily due to the internal electric field (IEF) generated at the p-n heterojunction interface, which facilitated the precise migration and aggregation of photoinduced electrons (e-) and holes to space reaction sites, realizing the highly efficient surface catalysis of ZnFe2O4/TiO2 photocatalysts.
{"title":"Highly reactive ZnFe2O4/TiO2 p-n heterojunction photocatalyst accelerates interfacial charge transfer for boosted photodegradation of ammonia nitrogen","authors":"Shuwen Ke , Matin Naghizadeh , Longhui Sun , Huijia Jin , Sheying Dong , Tinglin Huang","doi":"10.1016/j.ces.2025.121361","DOIUrl":"10.1016/j.ces.2025.121361","url":null,"abstract":"<div><div>Excessive ammonia nitrogen (NH<sub>4</sub><sup>+</sup>-N) in wastewater worsens the living conditions of aquatic organisms and causes chronic poisoning of humans. In this work, the ZnFe<sub>2</sub>O<sub>4</sub>/TiO<sub>2</sub> p-n heterojunction photocatalyst was prepared to remove NH<sub>4</sub><sup>+</sup>-N. ZT-10 (the molar ratio of ZnFe<sub>2</sub>O<sub>4</sub> to TiO<sub>2</sub> was 1:10) removed 98.52 % of NH<sub>4</sub><sup>+</sup>-N (50 mg/L) at pH 10 in 90 min with a stabilized crystal structure maintained over four cycles. The experiment results demonstrated universal adaptability to various representative contaminants in actual waters. The meaningful roles of superoxide radical (∙O<sub>2</sub><sup>−</sup>), hydroxyl radical (∙OH), and holes (h<sup>+</sup>) in NH<sub>4</sub><sup>+</sup>-N photoreduction were confirmed by radical trapping experiments. The photocatalytic mechanism revealed that the improvement of photodegradation activity was primarily due<!--> <!-->to the internal electric field (IEF) generated at the p-n heterojunction interface, which facilitated the precise migration and aggregation of photoinduced electrons (e<sup>-</sup>) and holes to space reaction sites, realizing the highly efficient surface catalysis of ZnFe<sub>2</sub>O<sub>4</sub>/TiO<sub>2</sub> photocatalysts.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121361"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393370","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The concentration of pollutant emissions during the municipal solid waste incineration (MSWI) process has a significant global impact on the atmospheric environment. Developing effective pollutant emission models to support optimization for emission reduction is a critical challenge that must be addressed. To address the challenges of high uncertainty and poor interpretability in pollutant emission concentration models for the MSWI process, this article proposes a novel method for modeling multi-pollutant emission concentrations using a virtual-real data-driven method. First, a whole-process numerical simulation model for the MSWI process is developed using a multi-software coupling strategy. Virtual simulation mechanism dataset under diverse operating conditions is generated through a combination of orthogonal experimental design and implementation. Subsequently, to tackle the challenge of limited sample size resulting from the high cost of simulation, virtual sample generation (VSG) is utilized to enhance the dataset. Finally, a virtual-real data-driven multi-pollutant emission concentration model is developed, leveraging the Interval Type-2 Fuzzy Broad Learning System (IT2FBLS) and the Linear Regression Decision Tree (LRDT) algorithm with a main-compensation mechanism. The proposed methodology is validated using data from an MSWI power plant in Beijing.
{"title":"Modeling multi-pollutant emission concentrations in municipal solid waste incineration processes using virtual-real data-driven approach","authors":"Tianzheng Wang , Jian Tang , Loai Aljerf , Yongqi Liang , Junfei Qiao","doi":"10.1016/j.ces.2025.121358","DOIUrl":"10.1016/j.ces.2025.121358","url":null,"abstract":"<div><div>The concentration of pollutant emissions during the municipal solid waste incineration (MSWI) process has a significant global impact on the atmospheric environment. Developing effective pollutant emission models to support optimization for emission reduction is a critical challenge that must be addressed. To address the challenges of high uncertainty and poor interpretability in pollutant emission concentration models for the MSWI process, this article proposes a novel method for modeling multi-pollutant emission concentrations using a virtual-real data-driven method. First, a whole-process numerical simulation model for the MSWI process is developed using a multi-software coupling strategy. Virtual simulation mechanism dataset under diverse operating conditions is generated through a combination of orthogonal experimental design and implementation. Subsequently, to tackle the challenge of limited sample size resulting from the high cost of simulation, virtual sample generation (VSG) is utilized to enhance the dataset. Finally, a virtual-real data-driven multi-pollutant emission concentration model is developed, leveraging the Interval Type-2 Fuzzy Broad Learning System (IT2FBLS) and the Linear Regression Decision Tree (LRDT) algorithm with a main-compensation mechanism. The proposed methodology is validated using data from an MSWI power plant in Beijing.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121358"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393372","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-11DOI: 10.1016/j.ces.2025.121355
Ziyue Wang , Liansheng Liu
As marine pollution intensifies, pollutants concentrate on the surface of marine bubbles and are usually ’regurgitated’ into the atmosphere in the form of aerosols, leading to ecological contamination and disease propagation. The bubble rupture in gas space above the air–sea interface is one of the primary sources of aerosols, but the interplay between bubbles and aerosols remains unclear. This study demonstrates that the instability of the bubble film plays a critical role in governing the formation and characteristics of aerosols. Once a bubble bursts in gas space, a hole rim recedes and soon destabilizes into capillary waves. A centrifugal force, caused by a curvilinear motion of the receding rim, leads to the radial spreading and destabilization of the hole rim in a Rayleigh–Taylor type. Meanwhile, a Kelvin–Helmholtz instability is strengthened due to the shear between the spreading rim and the surrounding atmosphere. Both instabilities contribute to the rim instability of the broken curved film. Specifically, this study quantitatively examines how surface tension, viscosity, bubble radius, and film thickness affect the instability dynamics and bursting intensity through comprehensive experiments. The results have significant scientific implications and practical application value for clarifying the transmission of pollutants at the air–sea interface and the physicochemical properties of composite aerosols.
Synopsis: This study investigates the behaviors of aerosol formation from bubble bursting in gas space above the air–sea interface, offering new insights into marine pollution transmission.
{"title":"Effect of film characteristics on bursting behavior of a bubble in gas space","authors":"Ziyue Wang , Liansheng Liu","doi":"10.1016/j.ces.2025.121355","DOIUrl":"10.1016/j.ces.2025.121355","url":null,"abstract":"<div><div>As marine pollution intensifies, pollutants concentrate on the surface of marine bubbles and are usually ’regurgitated’ into the atmosphere in the form of aerosols, leading to ecological contamination and disease propagation. The bubble rupture in gas space above the air–sea interface is one of the primary sources of aerosols, but the interplay between bubbles and aerosols remains unclear. This study demonstrates that the instability of the bubble film plays a critical role in governing the formation and characteristics of aerosols. Once a bubble bursts in gas space, a hole rim recedes and soon destabilizes into capillary waves. A centrifugal force, caused by a curvilinear motion of the receding rim, leads to the radial spreading and destabilization of the hole rim in a Rayleigh–Taylor type. Meanwhile, a Kelvin–Helmholtz instability is strengthened due to the shear between the spreading rim and the surrounding atmosphere. Both instabilities contribute to the rim instability of the broken curved film. Specifically, this study quantitatively examines how surface tension, viscosity, bubble radius, and film thickness affect the instability dynamics and bursting intensity through comprehensive experiments. The results have significant scientific implications and practical application value for clarifying the transmission of pollutants at the air–sea interface and the physicochemical properties of composite aerosols.</div><div><strong>Synopsis:</strong> This study investigates the behaviors of aerosol formation from bubble bursting in gas space above the air–sea interface, offering new insights into marine pollution transmission.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121355"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393314","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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