Pub Date : 2025-12-20DOI: 10.1016/j.ces.2025.123201
Silin Rao, Jingtao Wang
{"title":"Temporal Dynamic Label Smoothing Against Horizon-Induced Distribution Overlap: Improving Early Fault Detection and Diagnosis in Chemical Process","authors":"Silin Rao, Jingtao Wang","doi":"10.1016/j.ces.2025.123201","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123201","url":null,"abstract":"","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"6 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145785444","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 conversion of CO2 and propylene oxide (PO) into propylene carbonate (PC), a high value-added product, via cycloaddition method is the most mainstream way for producing PC and one of the most promising methods for chemically fixing CO2. However, when PO is synthesized in two currently dominant methods, chlorohydrin process versus hydrogen peroxide process (HPPO), the economic and environmental impact of the whole PC production process with a coupled Carbon Capture, Utilization and Storage (CCUS) unit can vary greatly. To quantitatively compare the advantages and disadvantages of the two processes, a complete analytical framework covering two processes was constructed to evaluate their technological, economic and socio-environmental benefits for the first time. Notably, CO2 captured from flue gas was used as the carbon source for the cycloaddition. The results showed that the cycloaddition route starting from the chlorohydrin process improved the NPV by 75.10% and the IRR by 18.58% compared with the HPPO route, but the latter consumption of non-renewable energy and the GHG emissions are reduced by 48.70% and 59.06%, respectively. These analyses will provide a quantitative reference for the future production of PO and PC.
{"title":"Comparative techno-economic and life cycle analysis for propylene carbonate production with coupling carbon capture and utilization technology","authors":"Honghua Qin, Yiwu Lu, Zongzhuang Sun, Mengzhen Zhu, Hao Yan, Yibin Liu, Xin Zhou, Xiang Feng","doi":"10.1016/j.ces.2025.123205","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123205","url":null,"abstract":"The conversion of CO<sub>2</sub> and propylene oxide (PO) into propylene carbonate (PC), a high value-added product, via cycloaddition method is the most mainstream way for producing PC and one of the most promising methods for chemically fixing CO<sub>2</sub>. However, when PO is synthesized in two currently dominant methods, chlorohydrin process versus hydrogen peroxide process (HPPO), the economic and environmental impact of the whole PC production process with a coupled Carbon Capture, Utilization and Storage (CCUS) unit can vary greatly. To quantitatively compare the advantages and disadvantages of the two processes, a complete analytical framework covering two processes was constructed to evaluate their technological, economic and socio-environmental benefits for the first time. Notably, CO<sub>2</sub> captured from flue gas was used as the carbon source for the cycloaddition. The results showed that the cycloaddition route starting from the chlorohydrin process improved the NPV by 75.10% and the IRR by 18.58% compared with the HPPO route, but the latter consumption of non-renewable energy and the GHG emissions are reduced by 48.70% and 59.06%, respectively. These analyses will provide a quantitative reference for the future production of PO and PC.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"138 1","pages":"123205"},"PeriodicalIF":4.7,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145796406","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 : 2025-12-18DOI: 10.1016/j.ces.2025.123207
Yuanhao Tang, Huanli Huang, Suchang Zou, Weilong Shi
Dual-functional coatings with integrated anti-corrosion and anti-biofouling properties hold significant application potential for marine equipment protection, yet current technologies face challenges such as complex fabrication processes and high costs. This study presents a novel composite coating incorporating thermally calcined red mud (RM) into epoxy resin (EP), demonstrating exceptional comprehensive protective performance on Q235 carbon steel substrates in simulated marine environments. Electrochemical impedance spectroscopy (EIS) reveals the RM/EP-350 coating maintains superior corrosion resistance after 60 days immersion in 3.5 wt% NaCl solution, retaining a high impedance modulus of 2.69 × 106 Ω·cm2. Remarkably, the composite exhibits outstanding anti-biofouling capabilities, achieving bacterial inhibition rates of 99.4 % against E. coli and 99.6 % against S. aureus under light irradiation, coupled with minimal algal adhesion. This study demonstrates the pioneering application of RM as a functional filler in anti-corrosion coatings, exhibiting exceptional corrosion resistance and anti-fouling performance.
{"title":"Utilization of red mud waste in epoxy resin composite coatings for corrosion and biological contamination resistance","authors":"Yuanhao Tang, Huanli Huang, Suchang Zou, Weilong Shi","doi":"10.1016/j.ces.2025.123207","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123207","url":null,"abstract":"Dual-functional coatings with integrated anti-corrosion and anti-biofouling properties hold significant application potential for marine equipment protection, yet current technologies face challenges such as complex fabrication processes and high costs. This study presents a novel composite coating incorporating thermally calcined red mud (RM) into epoxy resin (EP), demonstrating exceptional comprehensive protective performance on Q235 carbon steel substrates in simulated marine environments. Electrochemical impedance spectroscopy (EIS) reveals the RM/EP-350 coating maintains superior corrosion resistance after 60 days immersion in 3.5 wt% NaCl solution, retaining a high impedance modulus of 2.69 × 10<sup>6</sup> Ω·cm<sup>2</sup>. Remarkably, the composite exhibits outstanding anti-biofouling capabilities, achieving bacterial inhibition rates of 99.4 % against <em>E. coli</em> and 99.6 % against <em>S. aureus</em> under light irradiation, coupled with minimal algal adhesion. This study demonstrates the pioneering application of RM as a functional filler in anti-corrosion coatings, exhibiting exceptional corrosion resistance and anti-fouling performance.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"16 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145771698","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 : 2025-12-17DOI: 10.1016/j.ces.2025.123196
Gizem Başaran Dindaş, Sude Öz, Gizem Buğa, Hüseyin Cengiz Yatmaz
CoB (Cobalt/Bentonite) heterogeneous composite catalysts were developed in 3 different size ranges (<0.125, 0.125–1.18 and 1.18–2 mm) using CoSO4 and CoCl2 as transition metal ion sources. The produced composite catalysts were named as CoB-I and CoB-II, respectively. According to the characterization analysis, it was observed that the amount of cobalt by weight in the CoB heterogeneous composite catalyst increased with increasing bentonite diameter. It was also determined that the CoB-I and CoB-II heterogeneous composite catalysts (1.18–2 mm) contained 3.1 and 13.5 wt% cobalt, respectively. The oxidative performance of the CoB-II catalyst within this size range, in the presence of PMS (Peroxymonosulfate), was evaluated for the degradation of Reactive Orange 16 (RO16) textile dyestuff and real textile wastewater. Three parameters were examined to determine the best oxidation conditions: the catalyst loading (0.5–1.5 g/L CoB), PMS concentration (1–5 mM) and pH value of RO16 dyestuff solution (2–9). The most effective and optimum color removal efficiency was achieved as 98 % with 1 g/L CoB-II catalyst loading, 1 mM PMS, pH ∼6 and 40 °C oxidation temperature in a 60 min reaction time. To evaluate the active radical species function on the RO16 color removal efficiency in the optimum catalytic oxidation system, methanol, butanol, phenol and humic acid were separately added to the dyestuff solution. The color removal efficiency was expressively decreased from 97.6 % to 50.6 % after the addition of phenol. Finally, the optimum conditions were applied for the treatment of textile wastewater and the TOC removal efficiency value was approximately attained as 25 %.
{"title":"Heterogeneous catalytic oxidation of reactive dyestuff with cobalt modified natural bentonite catalyst and peroxymonosulfate","authors":"Gizem Başaran Dindaş, Sude Öz, Gizem Buğa, Hüseyin Cengiz Yatmaz","doi":"10.1016/j.ces.2025.123196","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123196","url":null,"abstract":"CoB (Cobalt/Bentonite) heterogeneous composite catalysts were developed in 3 different size ranges (<0.125, 0.125–1.18 and 1.18–2 mm) using CoSO<sub>4</sub> and CoCl<sub>2</sub> as transition metal ion sources. The produced composite catalysts were named as CoB-I and CoB-II, respectively. According to the characterization analysis, it was observed that the amount of cobalt by weight in the CoB heterogeneous composite catalyst increased with increasing bentonite diameter. It was also determined that the CoB-I and CoB-II heterogeneous composite catalysts (1.18–2 mm) contained 3.1 and 13.5 wt% cobalt, respectively. The oxidative performance of the CoB-II catalyst within this size range, in the presence of PMS (Peroxymonosulfate), was evaluated for the degradation of Reactive Orange 16 (RO16) textile dyestuff and real textile wastewater. Three parameters were examined to determine the best oxidation conditions: the catalyst loading (0.5–1.5 g/L CoB), PMS concentration (1–5 mM) and pH value of RO16 dyestuff solution (2–9). The most effective and optimum color removal efficiency was achieved as 98 % with 1 g/L CoB-II catalyst loading, 1 mM PMS, pH ∼6 and 40 °C oxidation temperature in a 60 min reaction time. To evaluate the active radical species function on the RO16 color removal efficiency in the optimum catalytic oxidation system, methanol, butanol, phenol and humic acid were separately added to the dyestuff solution. The color removal efficiency was expressively decreased from 97.6 % to 50.6 % after the addition of phenol. Finally, the optimum conditions were applied for the treatment of textile wastewater and the TOC removal efficiency value was approximately attained as 25 %.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"7 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145771699","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 : 2025-12-17DOI: 10.1016/j.ces.2025.123191
Emanuel da Cruz Lima, Francisco Xavier Nobre, Taiane Maria de Oliveira, Gabriel e Silva Sales, Natália da Silva Ferreira, Alyne Rodrigues de Araujo-Nobre, Jardel Meneses Rocha, Carlos Alberto Lira Júnior, Cristiani Campos Plá Cid, Deise Schafer, José Milton Elias de Matos
Titanate nanotubes (TNTs) were synthesized by the alkaline hydrothermal method and doped with silver ions, forming the catalyst Ag-TNT, for use in photocatalytic studies with the drug tetracycline hydrochloride (TC-HCl) and in microbiological assays. Silver doping promoted the disappearance of the characteristic interlayer peak at 10°, as well as the emergence of new phases related to AgO and Ag0, evidencing the incorporation of metal ions into the TNT structure. Morphological analyses revealed multilayer nanotubes decorated with Ag0 NPs, while electronic characterization confirmed the coexistence of Ag+ and Ag0 in the TNT. These structural modifications resulted in a reduction of the bandgap energy from 3.48 eV to 2.75 eV, shifting the absorption to the UV–Vis region. The photocatalytic studies revealed that the optimal experimental conditions were: pH 5, TC-HCl concentration of 20 × 10−3 gL−1 and mass of Ag-TNT 5.0 × 10−3 g, within 120 min of UV–Vis irradiation, achieving TC-HCl degradation of 87.7 %. The main species active in the photodegradation of the drug are (e−) and (O2•−). The antibacterial activity of Ag-TNT against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus showed that the Minimum Inhibitory Concentration (MIC) was 18.7, 9.3, and 18.7 µgmL−1, respectively. With bactericidal effect for E. coli, presenting a Minimum Bactericidal Concentration (MBC) equal to 18.7 µgmL−1. Therefore, Ag-TNT has high antibacterial potential, especially against E. coli, as well as considerable photocatalytic performance against TC-HCl.
{"title":"Use of Ag-TNT catalyst in antibacterial activity and optimization of photocatalytic conditions for tetracycline hydrochloride degradation","authors":"Emanuel da Cruz Lima, Francisco Xavier Nobre, Taiane Maria de Oliveira, Gabriel e Silva Sales, Natália da Silva Ferreira, Alyne Rodrigues de Araujo-Nobre, Jardel Meneses Rocha, Carlos Alberto Lira Júnior, Cristiani Campos Plá Cid, Deise Schafer, José Milton Elias de Matos","doi":"10.1016/j.ces.2025.123191","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123191","url":null,"abstract":"Titanate nanotubes (TNTs) were synthesized by the alkaline hydrothermal method and doped with silver ions, forming the catalyst Ag-TNT, for use in photocatalytic studies with the drug tetracycline hydrochloride (TC-HCl) and in microbiological assays. Silver doping promoted the disappearance of the characteristic interlayer peak at 10°, as well as the emergence of new phases related to AgO and Ag<sup>0</sup>, evidencing the incorporation of metal ions into the TNT structure. Morphological analyses revealed multilayer nanotubes decorated with Ag<sup>0</sup> NPs, while electronic characterization confirmed the coexistence of Ag<sup>+</sup> and Ag<sup>0</sup> in the TNT. These structural modifications resulted in a reduction of the bandgap energy from 3.48 eV to 2.75 eV, shifting the absorption to the UV–Vis region. The photocatalytic studies revealed that the optimal experimental conditions were: pH 5, TC-HCl concentration of 20 × 10<sup>−3</sup> gL<sup>−1</sup> and mass of Ag-TNT 5.0 × 10<sup>−3</sup> g, within 120 min of UV–Vis irradiation, achieving TC-HCl degradation of 87.7 %. The main species active in the photodegradation of the drug are (<em>e</em><sup>−</sup>) and (O<sub>2</sub><sup>•−</sup>). The antibacterial activity of Ag-TNT against <em>Escherichia coli, Pseudomonas aeruginosa</em>, and <em>Staphylococcus aureus</em> showed that the Minimum Inhibitory Concentration (MIC) was 18.7, 9.3, and 18.7 µgmL<sup>−1</sup>, respectively. With bactericidal effect for <em>E. coli</em>, presenting a Minimum Bactericidal Concentration (MBC) equal to 18.7 µgmL<sup>−1</sup>. Therefore, Ag-TNT has high antibacterial potential, especially against <em>E. coli,</em> as well as considerable photocatalytic performance against TC-HCl.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"22 1","pages":"123191"},"PeriodicalIF":4.7,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145786387","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 : 2025-12-17DOI: 10.1016/j.ces.2025.123195
Mingqiang Chen, Pingshun Zhao, Defang Liang, Yishuang Wang, Chang Li, Haosheng Xin, Jun Wang, Peng Wang, Zhuowu Men
The valorization of crude glycerol from biodiesel production is essential for sustainable development. Aqueous phase reforming and in-situ hydrogenolysis of glycerol (ARHG) for producing green hydrogen and chemicals has emerged as a promising yet challenging strategy. Herein, we employed NaOH coupled with high-temperature treated attapulgite (A-OH) to prepare transition metals modified A-OH supported Pt catalysts (Pt-MOx/A-OH, M = Fe, Co, Ni or Cu) for ARHG. The introduction of transition metal oxides promoted the reduction of Pt and effectively mitigated the leaching of Pt. Amongst, Pt-FeOx/A-OH achieved the optimal hydrogen production rate of 795.87 μmol/gcat/min at 240°C during 1 h reaction. Upon extending the reaction time to 3 h, it exhibited the highest glycerol conversion (51.82 %) and the superior selectivity of 1,2-propanediol reached to 48.27 %. Characterizations revealed that, in Pt-FeOx/A-OH, the specific SiIV-O-Al(4) of A-OH could interact with Fe to form SiIV-O-Fe interfaces, effectively improving Pt species distribution. Additionally, the electron transfer from Fe to Pt led phase transformation from Fe3O4 to Fe2O3 and promoted the formation of electron-enriched Ptδ− and increased lattice oxygen concentration (OL). Combination of in-situ DRIFTS spectrum and the distribution of gas/liquid products, it demonstrated that the synergistic effect of Ptδ−/Pt0 sites with OL facilitated the adsorption and activation of glycerol. Notably, the presence of Ptδ− facilitated the desorption of hydrogen species (H*) to promote their recombination to form molecular hydrogen (H2). Additionally, the generated H* further reacted with acetol intermediates from glycerol dehydration to yield 1,2-PDO. Ptδ− species accelerated H* species desorption to inhibit excessive hydrogenolysis of 1,2-PDO.
生物柴油生产中粗甘油的增值对可持续发展至关重要。甘油的水相重整和原位氢解（ARHG）生产绿色氢气和化学品已经成为一种有前途但具有挑战性的策略。本文采用NaOH与高温凹凸棒土（A-OH）偶联制备过渡金属修饰的A-OH负载Pt催化剂（Pt- mox /A-OH, M = Fe, Co， Ni或Cu）用于ARHG。过渡金属氧化物的引入促进了Pt的还原，有效地减缓了Pt的浸出。其中，Pt- feox /A-OH在240℃下反应1 h时的最佳产氢速率为795.87 μmol/gcat/min。当反应时间延长至3 h时，甘油转化率最高（51.82 %），1,2-丙二醇的选择性达到48.27 %。表征表明，在Pt- feox /A-OH中，A-OH的特异性SiIV-O-Al(4)可与Fe相互作用形成SiIV-O-Fe界面，有效改善Pt的种类分布。此外，Fe到Pt的电子转移导致了Fe3O4到Fe2O3的相变，促进了富电子Ptδ−的形成，提高了晶格氧浓度（OL）。结合原位漂移光谱和气液产物的分布，表明Ptδ−/Pt0位点与OL的协同作用促进了甘油的吸附和活化。值得注意的是，Ptδ−的存在促进了氢（H*）的解吸，促进了它们的重组形成分子氢（H2）。此外，生成的H*进一步与甘油脱水产生的乙醇中间体反应生成1,2- pdo。Ptδ−加速H*的解吸，抑制1,2- pdo的过度氢解。
{"title":"Producing H2 and 1,2-propanediol by aqueous phase reforming and in-situ hydrogenolysis of glycerol over Pt-based attapulgite catalysts: Effects of NaOH coupled with high-temperature treatment and transition metals modification","authors":"Mingqiang Chen, Pingshun Zhao, Defang Liang, Yishuang Wang, Chang Li, Haosheng Xin, Jun Wang, Peng Wang, Zhuowu Men","doi":"10.1016/j.ces.2025.123195","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123195","url":null,"abstract":"The valorization of crude glycerol from biodiesel production is essential for sustainable development. Aqueous phase reforming and in-situ hydrogenolysis of glycerol (ARHG) for producing green hydrogen and chemicals has emerged as a promising yet challenging strategy. Herein, we employed NaOH coupled with high-temperature treated attapulgite (A-OH) to prepare transition metals modified A-OH supported Pt catalysts (Pt-MOx/A-OH, M = Fe, Co, Ni or Cu) for ARHG. The introduction of transition metal oxides promoted the reduction of Pt and effectively mitigated the leaching of Pt. Amongst, Pt-FeOx/A-OH achieved the optimal hydrogen production rate of 795.87 μmol/g<sub>cat</sub>/min at 240°C during 1 h reaction. Upon extending the reaction time to 3 h, it exhibited the highest glycerol conversion (51.82 %) and the superior selectivity of 1,2-propanediol reached to 48.27 %. Characterizations revealed that, in Pt-FeOx/A-OH, the specific Si<sup>IV</sup>-O-Al(4) of A-OH could interact with Fe to form Si<sup>IV</sup>-O-Fe interfaces, effectively improving Pt species distribution. Additionally, the electron transfer from Fe to Pt led phase transformation from Fe<sub>3</sub>O<sub>4</sub> to Fe<sub>2</sub>O<sub>3</sub> and promoted the formation of electron-enriched Pt<sup>δ−</sup> and increased lattice oxygen concentration (O<sub>L</sub>). Combination of in-situ DRIFTS spectrum and the distribution of gas/liquid products, it demonstrated that the synergistic effect of Pt<sup>δ−</sup>/Pt<sup>0</sup> sites with O<sub>L</sub> facilitated the adsorption and activation of glycerol. Notably, the presence of Pt<sup>δ−</sup> facilitated the desorption of hydrogen species (H*) to promote their recombination to form molecular hydrogen (H<sub>2</sub>). Additionally, the generated H* further reacted with acetol intermediates from glycerol dehydration to yield 1,2-PDO. Pt<sup>δ−</sup> species accelerated H* species desorption to inhibit excessive hydrogenolysis of 1,2-PDO.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"56 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145771700","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 : 2025-12-16DOI: 10.1016/j.ces.2025.123198
Liang Jinqiang, Shao Zimo, Fang Qinzhu, Zhang Luoyuan, Yan Lijun, Peng Wei, Ye Mao
Fluidized Catalytic Cracking (FCC) is a major source of carbon emissions in refineries. Promoting its low-carbon transition is crucial for China’s “Dual Carbon” goals. This study simulates the FCC catalyst regeneration process using Aspen Plus, comparing Air Combustion FCC (AC-FCC) with No-nitrogen (O2/CO2) Combustion FCC (NNC-FCC) in terms of heat exchanger duty, CO2 emissions, exergy efficiency, and economics. At 25 vol% O2 in the combustion atmosphere, the NNC-FCC route exhibits an external heat exchanger duty of 19007.32 kW, 2.3 times higher than AC-FCC (8213.34 kW), indicating enhanced coke combustion. The CO2 concentration in the flue gas reaches 97.43 vol%, an 82.81-percentage-point increase from the AC-FCC baseline (14.62 vol%), demonstrating strong CO2 enrichment. With integrated Carbon Capture, Utilization, and Storage (CCUS), both routes achieve near-zero on-factory CO2 emissions. The exergy efficiency of the NNC-FCC energy recovery system is 65.26 %, 17.61 percentage points higher than AC-FCC (47.65 %), confirming improved energy utilization. Economically, NNC-FCC reduces the product cost to 3223.71 CNY/t, 19.22 % lower than AC-FCC (3990.57 CNY/t). The annual net profit increases by 94.81 million CNY, underscoring its outstanding economic benefits. Sensitivity analysis identifies raw material price as the primary factor influencing production cost. In summary, NNC-FCC technology offers synergistic advantages in emission reduction, energy efficiency, and economic performance, supporting the green transition of FCC processes.
{"title":"Numerical simulation of O2/CO2 combustion regeneration for fluidized catalytic cracking catalysts","authors":"Liang Jinqiang, Shao Zimo, Fang Qinzhu, Zhang Luoyuan, Yan Lijun, Peng Wei, Ye Mao","doi":"10.1016/j.ces.2025.123198","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123198","url":null,"abstract":"Fluidized Catalytic Cracking (FCC) is a major source of carbon emissions in refineries. Promoting its low-carbon transition is crucial for China’s “Dual Carbon” goals. This study simulates the FCC catalyst regeneration process using Aspen Plus, comparing Air Combustion FCC (AC-FCC) with No-nitrogen (O<sub>2</sub>/CO<sub>2</sub>) Combustion FCC (NNC-FCC) in terms of heat exchanger duty, CO<sub>2</sub> emissions, exergy efficiency, and economics. At 25 vol% O<sub>2</sub> in the combustion atmosphere, the NNC-FCC route exhibits an external heat exchanger duty of 19007.32 kW, 2.3 times higher than AC-FCC (8213.34 kW), indicating enhanced coke combustion. The CO<sub>2</sub> concentration in the flue gas reaches 97.43 vol%, an 82.81-percentage-point increase from the AC-FCC baseline (14.62 vol%), demonstrating strong CO<sub>2</sub> enrichment. With integrated Carbon Capture, Utilization, and Storage (CCUS), both routes achieve near-zero on-factory CO<sub>2</sub> emissions. The exergy efficiency of the NNC-FCC energy recovery system is 65.26 %, 17.61 percentage points higher than AC-FCC (47.65 %), confirming improved energy utilization. Economically, NNC-FCC reduces the product cost to 3223.71 CNY/t, 19.22 % lower than AC-FCC (3990.57 CNY/t). The annual net profit increases by 94.81 million CNY, underscoring its outstanding economic benefits. Sensitivity analysis identifies raw material price as the primary factor influencing production cost. In summary, NNC-FCC technology offers synergistic advantages in emission reduction, energy efficiency, and economic performance, supporting the green transition of FCC processes.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"4 1","pages":"123198"},"PeriodicalIF":4.7,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145796298","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 : 2025-12-16DOI: 10.1016/j.ces.2025.123190
Cheng Sun, Gang Hou, Bofeng Zhang, Liming Xia, Guozhu Liu
Regenerative cooling technology is a key approach to addressing thermal barrier issue, while maximizing the utilization of fuel chemical heat sink remains a challenge. Traditional cracking processes are limited by complex exothermic secondary reactions, restricting the heat sink to less than 3.5 MJ/kg. Achieving directed reactions through catalytic dehydrogenation is an effective way to improve endothermic capacity. Herein, we employed methylcyclohexane as the fuel model compound and adopted a catalytic mode coupling cooling channels with packed-bed. The catalytic cooling structure regulated dehydrogenation activity by utilizing the optimal reaction temperature range of the catalyst, achieving both H2 and toluene selectivity exceeding 80 %, with a total heat sink of 4.11 MJ/kg, representing a 10.7 % improvement compared to pyrolysis. Furthermore, characterization of catalysts from different tube positions revealed that coke deposition from fuel pyrolysis (∼40 %) and Pt particle sintering (3.4 nm) under high temperatures were identified as the primary deactivation mechanisms. In addition, the established 2D model effectively predicted the fuel reaction process, revealing the axial heat sink distribution within the tube. The simulated outlet heat sink deviated from experimental measurements by only 0.7 %. Experiments on decalin and EHF-851 further confirmed that the packed-bed mode of cooling channels can effectively enhance the heat sink to approximately 4.0 MJ/kg. This offers a new solution for addressing thermal barrier issues during high-speed flight.
{"title":"Heat sink enhancement of cycloalkanes fuel by catalytic dehydrogenation in packed-bed reactor","authors":"Cheng Sun, Gang Hou, Bofeng Zhang, Liming Xia, Guozhu Liu","doi":"10.1016/j.ces.2025.123190","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123190","url":null,"abstract":"Regenerative cooling technology is a key approach to addressing thermal barrier issue, while maximizing the utilization of fuel chemical heat sink remains a challenge. Traditional cracking processes are limited by complex exothermic secondary reactions, restricting the heat sink to less than 3.5 MJ/kg. Achieving directed reactions through catalytic dehydrogenation is an effective way to improve endothermic capacity. Herein, we employed methylcyclohexane as the fuel model compound and adopted a catalytic mode coupling cooling channels with packed-bed. The catalytic cooling structure regulated dehydrogenation activity by utilizing the optimal reaction temperature range of the catalyst, achieving both H<sub>2</sub> and toluene selectivity exceeding 80 %, with a total heat sink of 4.11 MJ/kg, representing a 10.7 % improvement compared to pyrolysis. Furthermore, characterization of catalysts from different tube positions revealed that coke deposition from fuel pyrolysis (∼40 %) and Pt particle sintering (3.4 nm) under high temperatures were identified as the primary deactivation mechanisms. In addition, the established 2D model effectively predicted the fuel reaction process, revealing the axial heat sink distribution within the tube. The simulated outlet heat sink deviated from experimental measurements by only 0.7 %. Experiments on decalin and EHF-851 further confirmed that the packed-bed mode of cooling channels can effectively enhance the heat sink to approximately 4.0 MJ/kg. This offers a new solution for addressing thermal barrier issues during high-speed flight.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"21 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145760297","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 : 2025-12-16DOI: 10.1016/j.ces.2025.123186
Yanzhe Gou, Aiping Wang, Jiaxin Liu, Baoqi Ding, Wenjing Song, Qianqian Sun, Wenxin Qu, Xuan Zhou, Li Jiang, Hengyi Guo, Penghua Jiao, Hailing Zhang, Chunguang Ren, Linlin Wang
Bacterial infection, excess reactive oxygen species (ROS), and long-term inflammation are key issues that hinder wound healing, while slow closure of the wound in the early stage and wound deformation caused by frequent movement further increase the risk of infection. Herein, we developed a series of hydrogel (PCFT) that can actively assist wound closure and adapt to wound deformation with the thermosensitive polymer poly(N-isopropylacrylamide) as matrix and combined the dual-dynamic covalent bonds between carboxymethyl chitosan, 2-formylphenylboric acid and tea polyphenols, which also introduced the anti-inflammatory drug diclofenac sodium. The dual-dynamic covalent bonds of Schiff base and borate ester bonds imparted the hydrogel with sufficient mechanical property, self-healing and fatigue resistance. The hydrogel featured good thermo-responsive contraction performance and showed significant antioxidant, antibacterial and anti-inflammatory activities. Moreover, the hydrogel possessed good biocompatibility and hemostasis effects. In full-layer skin wound models, the hydrogel facilitated the wound healing process by accelerating wound contraction and enhancing collagen deposition, offering a viable strategy for wound healing as a multifunctional wound dressing.
{"title":"Thermo-responsive mechanically active hydrogel based on dual dynamic covalent cross-linked with antibacterial and antioxidant activity for wound healing","authors":"Yanzhe Gou, Aiping Wang, Jiaxin Liu, Baoqi Ding, Wenjing Song, Qianqian Sun, Wenxin Qu, Xuan Zhou, Li Jiang, Hengyi Guo, Penghua Jiao, Hailing Zhang, Chunguang Ren, Linlin Wang","doi":"10.1016/j.ces.2025.123186","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123186","url":null,"abstract":"Bacterial infection, excess reactive oxygen species (ROS), and long-term inflammation are key issues that hinder wound healing, while slow closure of the wound in the early stage and wound deformation caused by frequent movement further increase the risk of infection. Herein, we developed a series of hydrogel (PCFT) that can actively assist wound closure and adapt to wound deformation with the thermosensitive polymer poly(<em>N</em>-isopropylacrylamide) as matrix and combined the dual-dynamic covalent bonds between carboxymethyl chitosan, 2-formylphenylboric acid and tea polyphenols, which also introduced the anti-inflammatory drug diclofenac sodium. The dual-dynamic covalent bonds of Schiff base and borate ester bonds imparted the hydrogel with sufficient mechanical property, self-healing and fatigue resistance. The hydrogel featured good thermo-responsive contraction performance and showed significant antioxidant, antibacterial and anti-inflammatory activities. Moreover, the hydrogel possessed good biocompatibility and hemostasis effects. In full-layer skin wound models, the hydrogel facilitated the wound healing process by accelerating wound contraction and enhancing collagen deposition, offering a viable strategy for wound healing as a multifunctional wound dressing.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"118 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145760298","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 : 2025-12-16DOI: 10.1016/j.ces.2025.123193
Songlin Tian, Siyu Jiang, Cuimei Zhao, Sanlong Wang, Li Lin
Inorganic perovskite solar cells (IPSCs) exhibit remarkable photothermal stability and hold significant promise for applications in tandem solar cell technology. However, the current power conversion efficiency (PCE) remains relatively low, primarily due to pronounced non-radiative recombination processes that lead to substantial losses in open-circuit voltage (VOC). In this study, the surface of inorganic perovskite films was repaired using tri(carboxymethyl)amine ammonia (TCMA). The carboxyl groups present in TCMA interact with uncoordinated Pb2+ ions on the surface of the inorganic perovskite. During the subsequent annealing process, the surface of these films underwent reconstruction, leading to enhanced crystallization quality and further suppression of non-radiative recombination. The PCE of IPSCs treated with TCMA achieved a remarkable 20.58 %. By substituting bathocuproine (BCP) with zinc oxide (ZnO), the PCE was further elevated to 21.35 %, marking one of the highest PCE values reported for inverted IPSCs to date.
{"title":"Surface repair strategies for Enhancing the efficiency of inverted inorganic perovskite Photovoltaics","authors":"Songlin Tian, Siyu Jiang, Cuimei Zhao, Sanlong Wang, Li Lin","doi":"10.1016/j.ces.2025.123193","DOIUrl":"https://doi.org/10.1016/j.ces.2025.123193","url":null,"abstract":"Inorganic perovskite solar cells (IPSCs) exhibit remarkable photothermal stability and hold significant promise for applications in tandem solar cell technology. However, the current power conversion efficiency (<em>PCE</em>) remains relatively low, primarily due to pronounced non-radiative recombination processes that lead to substantial losses in open-circuit voltage (<em>V</em><sub>OC</sub>). In this study, the surface of inorganic perovskite films was repaired using tri(carboxymethyl)amine ammonia (TCMA). The carboxyl groups present in TCMA interact with uncoordinated Pb<sup>2+</sup> ions on the surface of the inorganic perovskite. During the subsequent annealing process, the surface of these films underwent reconstruction, leading to enhanced crystallization quality and further suppression of non-radiative recombination. The <em>PCE</em> of IPSCs treated with TCMA achieved a remarkable 20.58 %. By substituting bathocuproine (BCP) with zinc oxide (ZnO), the <em>PCE</em> was further elevated to 21.35 %, marking one of the highest <em>PCE</em> values reported for inverted IPSCs to date.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"24 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145771703","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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