Pub Date : 2026-01-28DOI: 10.1021/acs.iecr.5c04095
Wei-Dong Fu, Jin-Jin Li, Qi-Lin Li, Jie Jiang, Ling Zhao, Zhenhao Xi
Ring-opening polymerization (ROP) of ε-caprolactone (ε-CL) provides an efficient route to synthesize the widely used biodegradable polymer poly(ε-caprolactone) (PCL). Compared to homogeneous catalysts, heterogeneous double metal cyanide (DMC) catalysts offer the advantages of easy separation and recyclability, thereby improving product purity for the polymer industry. In this work, Zn/Co DMC catalysts are synthesized from cobalt cyanic acid (H3[Co(CN)6]) and zinc 2-ethylhexanoate (Zn(EH)2) using methanol as a solvent. The structure and composition of the prepared DMC catalyst are determined with comprehensive characterizations (e.g., ICP, elemental analysis, FTIR, TGA, XRD, and XPS). Kinetic studies of ROP of ε-CL catalyzed by the prepared Zn/Co DMC catalysts with and without an external initiator are systemically investigated, and the corresponding kinetic equations are developed as well. Results show that coordinated methanol exclusively initiates polymerization without an external initiator. Adding an external benzyl alcohol initiator or increasing catalyst loading accelerates polymerization but reduces the average molar mass of the resulting polymers. Finally, by integrating structural features with polymerization kinetics, a reaction mechanism for DMC-catalyzed ε-CL ROP is proposed. This mechanism delineates the functional role of each component, establishing a theoretical framework for advancing DMC catalyst applications.
{"title":"Ring-Opening Polymerization of ε-Caprolactone Catalyzed by Zn/Co Double Metal Cyanide Catalysts: The Vital Role of Coordinated Methanol","authors":"Wei-Dong Fu, Jin-Jin Li, Qi-Lin Li, Jie Jiang, Ling Zhao, Zhenhao Xi","doi":"10.1021/acs.iecr.5c04095","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04095","url":null,"abstract":"Ring-opening polymerization (ROP) of ε-caprolactone (ε-CL) provides an efficient route to synthesize the widely used biodegradable polymer poly(ε-caprolactone) (PCL). Compared to homogeneous catalysts, heterogeneous double metal cyanide (DMC) catalysts offer the advantages of easy separation and recyclability, thereby improving product purity for the polymer industry. In this work, Zn/Co DMC catalysts are synthesized from cobalt cyanic acid (H<sub>3</sub>[Co(CN)<sub>6</sub>]) and zinc 2-ethylhexanoate (Zn(EH)<sub>2</sub>) using methanol as a solvent. The structure and composition of the prepared DMC catalyst are determined with comprehensive characterizations (e.g., ICP, elemental analysis, FTIR, TGA, XRD, and XPS). Kinetic studies of ROP of ε-CL catalyzed by the prepared Zn/Co DMC catalysts with and without an external initiator are systemically investigated, and the corresponding kinetic equations are developed as well. Results show that coordinated methanol exclusively initiates polymerization without an external initiator. Adding an external benzyl alcohol initiator or increasing catalyst loading accelerates polymerization but reduces the average molar mass of the resulting polymers. Finally, by integrating structural features with polymerization kinetics, a reaction mechanism for DMC-catalyzed ε-CL ROP is proposed. This mechanism delineates the functional role of each component, establishing a theoretical framework for advancing DMC catalyst applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"2 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146070540","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}
Pub Date : 2026-01-28DOI: 10.1021/acs.iecr.5c05138
Leibing Chen, Kairui Li, Jing Li, Xinwei Du, Haisheng Wei
The development of highly dispersed supported noble-metal catalysts is crucial for maximizing atomic utilization and enhancing catalytic performance. This work demonstrates a highly efficient Au–Pt bimetallic catalyst supported on 2-methylimidazole-modified ZnO (N-ZnO) for the chemoselective hydrogenation of nitroarenes. The modification creates strong anchoring sites for metal precursors, which, as confirmed by DFT calculations, effectively suppress metal aggregation and yield highly dispersed nanoparticles with an average size of 2.9 nm. The resulting Au–Pt/N-ZnO catalyst exhibits exceptional performance in the hydrogenation of p-chloronitrobenzene under mild conditions (50 °C and 0.5 MPa H2), achieving >99% conversion and 98.6% selectivity to p-chloroaniline, significantly outperforming its monometallic counterparts due to the synergistic effect. The catalyst also exhibited excellent recyclability and broad substrate applicability for various substituted nitroarenes. This work provides an effective strategy for fabricating highly efficient supported bimetallic catalysts through the organic ligand-mediated surface modification of metal oxide supports.
{"title":"Surface Engineering of ZnO with 2-Methylimidazole for Highly Dispersed Au–Pt Nanoparticles and Enhanced Hydrogenation Catalysis","authors":"Leibing Chen, Kairui Li, Jing Li, Xinwei Du, Haisheng Wei","doi":"10.1021/acs.iecr.5c05138","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c05138","url":null,"abstract":"The development of highly dispersed supported noble-metal catalysts is crucial for maximizing atomic utilization and enhancing catalytic performance. This work demonstrates a highly efficient Au–Pt bimetallic catalyst supported on 2-methylimidazole-modified ZnO (N-ZnO) for the chemoselective hydrogenation of nitroarenes. The modification creates strong anchoring sites for metal precursors, which, as confirmed by DFT calculations, effectively suppress metal aggregation and yield highly dispersed nanoparticles with an average size of 2.9 nm. The resulting Au–Pt/N-ZnO catalyst exhibits exceptional performance in the hydrogenation of <i>p</i>-chloronitrobenzene under mild conditions (50 °C and 0.5 MPa H<sub>2</sub>), achieving >99% conversion and 98.6% selectivity to <i>p</i>-chloroaniline, significantly outperforming its monometallic counterparts due to the synergistic effect. The catalyst also exhibited excellent recyclability and broad substrate applicability for various substituted nitroarenes. This work provides an effective strategy for fabricating highly efficient supported bimetallic catalysts through the organic ligand-mediated surface modification of metal oxide supports.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"105 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146070543","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}
Fe-based Prussian blue analogues (Fe-PBAs) possess a high specific capacity as cathode materials for sodium-ion batteries (SIBs), yet framework instability and inherent Fe(CN)64– defects significantly hamper their practical application. Here, we employ an innovative high-entropy doping strategy to overcome these limitations. By substantially boosting the material’s configurational entropy (to 1.73 R), we dramatically enhanced its electrochemical performance, achieving exceptional full-cell results: 88.8% capacity retention after 1000 cycles at 150 mA g–1. Mössbauer spectroscopy revealed that high-entropy doping effectively regulates the spin state of Fe. ICP-OES analysis confirmed that this strategy significantly reduces Fe(CN)64– defects within the material. In situ XRD demonstrated that the high-entropy structure mitigates volume strain during charging and discharging. Furthermore, density functional theory (DFT) calculations indicated that the high-entropy design strengthens Fe–N bonds and the rigidity of Fe–C bonds, thereby stabilizing the framework structure.
铁基普鲁士蓝类似物（Fe- pbas）作为钠离子电池（sib）正极材料具有很高的比容量，但其结构不稳定性和固有的Fe(CN)64 -缺陷严重阻碍了其实际应用。在这里，我们采用一种创新的高熵掺杂策略来克服这些限制。通过大幅提高材料的构型熵（达到1.73 R），我们显著提高了其电化学性能，实现了出色的全电池结果：在150 mA g-1下循环1000次后，容量保持率为88.8%。Mössbauer光谱分析表明，高熵掺杂有效地调控了Fe的自旋态。ICP-OES分析证实，该策略显著降低了材料中的Fe(CN)64 -缺陷。原位XRD分析表明，高熵结构减轻了充放电过程中的体积应变。此外，密度泛函理论（DFT）计算表明，高熵设计增强了Fe-N键和Fe-C键的刚度，从而稳定了框架结构。
{"title":"Unveiling the Mechanism of High-Entropy Doping in Regulating Fe Spin State, Fe(CN)64– Defects, and Fe–N Bond Strength in Fe-Based Prussian Blue Analogues for Sodium-Ion Batteries","authors":"Yu-Yan Zhou, Hao-Tian Tong, Yan-Jiang Liu, Bing-Hao Wang, Ting-Liang Xie, Zhong-Yuan Huang, Shuang-Feng Yin","doi":"10.1021/acs.iecr.5c04999","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04999","url":null,"abstract":"Fe-based Prussian blue analogues (Fe-PBAs) possess a high specific capacity as cathode materials for sodium-ion batteries (SIBs), yet framework instability and inherent Fe(CN)<sub>6</sub><sup>4–</sup> defects significantly hamper their practical application. Here, we employ an innovative high-entropy doping strategy to overcome these limitations. By substantially boosting the material’s configurational entropy (to 1.73 R), we dramatically enhanced its electrochemical performance, achieving exceptional full-cell results: 88.8% capacity retention after 1000 cycles at 150 mA g<sup>–1</sup>. Mössbauer spectroscopy revealed that high-entropy doping effectively regulates the spin state of Fe. ICP-OES analysis confirmed that this strategy significantly reduces Fe(CN)<sub>6</sub><sup>4–</sup> defects within the material. In situ XRD demonstrated that the high-entropy structure mitigates volume strain during charging and discharging. Furthermore, density functional theory (DFT) calculations indicated that the high-entropy design strengthens Fe–N bonds and the rigidity of Fe–C bonds, thereby stabilizing the framework structure.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"30 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056950","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}
Embedding Si nanoparticles in the graphite matrix to form silicon–carbon composite anodes is an effective approach to enhancing the battery performance of silicon anodes. However, poor adhesion at the graphite–silicon interface fails to fully accommodate silicon’s volume changes during cycling, causing the silicon–carbon composite to crack, consequently resulting in poor cycling stability. Here, we report a green and economical method to prepare nano-Si@carbon/graphite (Si@C/G) anode materials by encapsulating silicon nanoparticles within an industrial lignin-derived carbon shell to form core–shell Si@C nanoparticles, which are then embedded within a commercial graphite matrix to produce the Si@C/G composite. Compared to bare nano-Si, the Si@C nanoparticles exhibit stronger van der Waals interactions with graphite (−30.2 kcal/mol vs −24.7 kcal/mol) and a large interfacial contact area, attributed to efficient π–π stacking between the lignin-derived carbon shell and graphite. Additionally, the average adhesion force between Si@C nanoparticles and graphite (−1.039 ± 0.523 mN/m) is substantially greater than the adhesion force between Si and graphite (−0.369 ± 0.211 mN/m), confirming that the lignin-derived carbon coating dramatically enhances adhesion. This enhanced interface facilitates fast electron transport and contributes to the anode’s excellent mechanical stability. Furthermore, the graphite matrix buffers the overall volume expansion and boosts the conductive performance of the prepared anode. Consequently, the LIB employing the Si@C/G anode delivers 777.4 mAh·g–1 at a high current density of 5.0 A·g–1. The material also shows a notably stable cycling performance, maintaining a capacity of as high as 956 mAh·g–1 after 200 cycles at 1 A·g–1, corresponding to a capacity retention rate exceeding 77%. This study presents an economical strategy to fabricate next-generation Si/C anodes for LIBs while also offering a high-value utilization pathway for industrial lignin.
{"title":"Large-Scale Construction of Multiscale-Structured Nano-Si@C/Graphite Composites toward a High-Stability Lithium Ion Battery Anode","authors":"Yiqiang Sun, Shipeng Chen, Xihong Zu, Leyu Cai, Haiping Guo, Liheng Chen, Qiyu Liu, Jinxin Lin, Xueqing Qiu, Wenli Zhang","doi":"10.1021/acs.iecr.5c03951","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03951","url":null,"abstract":"Embedding Si nanoparticles in the graphite matrix to form silicon–carbon composite anodes is an effective approach to enhancing the battery performance of silicon anodes. However, poor adhesion at the graphite–silicon interface fails to fully accommodate silicon’s volume changes during cycling, causing the silicon–carbon composite to crack, consequently resulting in poor cycling stability. Here, we report a green and economical method to prepare nano-Si@carbon/graphite (Si@C/G) anode materials by encapsulating silicon nanoparticles within an industrial lignin-derived carbon shell to form core–shell Si@C nanoparticles, which are then embedded within a commercial graphite matrix to produce the Si@C/G composite. Compared to bare nano-Si, the Si@C nanoparticles exhibit stronger van der Waals interactions with graphite (−30.2 kcal/mol vs −24.7 kcal/mol) and a large interfacial contact area, attributed to efficient π–π stacking between the lignin-derived carbon shell and graphite. Additionally, the average adhesion force between Si@C nanoparticles and graphite (−1.039 ± 0.523 mN/m) is substantially greater than the adhesion force between Si and graphite (−0.369 ± 0.211 mN/m), confirming that the lignin-derived carbon coating dramatically enhances adhesion. This enhanced interface facilitates fast electron transport and contributes to the anode’s excellent mechanical stability. Furthermore, the graphite matrix buffers the overall volume expansion and boosts the conductive performance of the prepared anode. Consequently, the LIB employing the Si@C/G anode delivers 777.4 mAh·g<sup>–1</sup> at a high current density of 5.0 A·g<sup>–1</sup>. The material also shows a notably stable cycling performance, maintaining a capacity of as high as 956 mAh·g<sup>–1</sup> after 200 cycles at 1 A·g<sup>–1</sup>, corresponding to a capacity retention rate exceeding 77%. This study presents an economical strategy to fabricate next-generation Si/C anodes for LIBs while also offering a high-value utilization pathway for industrial lignin.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"117 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146048846","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}
Pub Date : 2026-01-27DOI: 10.1021/acs.iecr.5c04221
Bo Wang, Chuang Li, Mingyi Xu, Guihua Liu, Xiaohang Du, Jingde Li
Proton exchange membrane fuel cells (PEMFCs) are increasingly valued for their eco-friendly feature. Nevertheless, challenges such as restricted mass transfer and suboptimal water management have hindered its high-current-density performance. This study introduces a new Three-Dimensional Sinusoidal Twisted Flow Field (3D-STFF) for PEMFCs, and its performance is evaluated using computational fluid dynamics (CFD) modeling. The 3D-STFF incorporates a helical architecture that enhances reactant delivery, optimizes water evacuation, and reduces energy losses. Compared with parallel flow fields, CFD results reveal that the 3D-STFF improves the mass transfer and water management in PEMFCs, yielding a 22.6% boost in current density (0.532 A·cm–2) and a 15.0% increase in net power density (0.504 W·cm–2) within the medium-to-high voltage range (0.5–0.8 V), while maintaining a minimal pressure drop of 174.2 Pa at 353 K, 100% relative humidity, and 1 atm. The design ensures superior oxygen distribution with a nonuniformity index of 0.259 and an oxygen molar concentration of 6.45 mol·m–3, effectively mitigating downstream oxygen depletion. The 3D-STFF design generates periodic velocity oscillations (peak at 20.5 m·s–1), fostering enhanced lateral gas diffusion and consistent reactant supply. Additionally, the 3D-STFF demonstrates superior water management compared to other flow fields, reducing liquid accumulation at both the midchannel and outlet, thereby mitigating cathode flooding. The 3D-STFF presents a robust and effective approach to improve PEMFC performance, particularly under high-load operational conditions.
{"title":"A Novel Flow Field Design with Superimposed Vertical and Parallel Twisting for Enhanced PEMFC Performance","authors":"Bo Wang, Chuang Li, Mingyi Xu, Guihua Liu, Xiaohang Du, Jingde Li","doi":"10.1021/acs.iecr.5c04221","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04221","url":null,"abstract":"Proton exchange membrane fuel cells (PEMFCs) are increasingly valued for their eco-friendly feature. Nevertheless, challenges such as restricted mass transfer and suboptimal water management have hindered its high-current-density performance. This study introduces a new Three-Dimensional Sinusoidal Twisted Flow Field (3D-STFF) for PEMFCs, and its performance is evaluated using computational fluid dynamics (CFD) modeling. The 3D-STFF incorporates a helical architecture that enhances reactant delivery, optimizes water evacuation, and reduces energy losses. Compared with parallel flow fields, CFD results reveal that the 3D-STFF improves the mass transfer and water management in PEMFCs, yielding a 22.6% boost in current density (0.532 A·cm<sup>–2</sup>) and a 15.0% increase in net power density (0.504 W·cm<sup>–2</sup>) within the medium-to-high voltage range (0.5–0.8 V), while maintaining a minimal pressure drop of 174.2 Pa at 353 K, 100% relative humidity, and 1 atm. The design ensures superior oxygen distribution with a nonuniformity index of 0.259 and an oxygen molar concentration of 6.45 mol·m<sup>–3</sup>, effectively mitigating downstream oxygen depletion. The 3D-STFF design generates periodic velocity oscillations (peak at 20.5 m·s<sup>–1</sup>), fostering enhanced lateral gas diffusion and consistent reactant supply. Additionally, the 3D-STFF demonstrates superior water management compared to other flow fields, reducing liquid accumulation at both the midchannel and outlet, thereby mitigating cathode flooding. The 3D-STFF presents a robust and effective approach to improve PEMFC performance, particularly under high-load operational conditions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"219 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056952","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}
Pub Date : 2026-01-27DOI: 10.1021/acs.iecr.5c03905
Liping Li, Hanyu Guo, Wei Gao, Rong Chen, Shaoyun Guo
Polytetrafluoroethylene (PTFE) is widely applied in copper-clad laminates for high-frequency communication due to its extremely low dielectric constant and dielectric loss. However, bonding it to other materials without affecting its dielectric properties is challenging due to its ultralow surface energy. This study used polyfluoroalkoxy (PFA), a fluorinated polymer, as a bonding layer to enhance the interfacial adhesion while maintaining other composite properties. Plasma modification was then applied to further strengthen the PTFE/PFA/copper interface. Experimental and calculation results indicate that longer treatment durations and higher power increase surface polar group concentration, thereby improving the adhesive strength without altering the dielectric properties of the composites. The interfacial peel strength under optimized conditions increased from 0.0413 to 0.574 N/mm, representing a 1389.8% increase. This research presents a simple and effective strategy for manufacturing PTFE-based laminates with promising interface strength and dielectric properties, showing significant potential for high-frequency applications.
{"title":"The Interface Strengthening and Mechanism of Polytetrafluoroethylene/Copper Foil Composites with Ultra-Low Dielectric Loss","authors":"Liping Li, Hanyu Guo, Wei Gao, Rong Chen, Shaoyun Guo","doi":"10.1021/acs.iecr.5c03905","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03905","url":null,"abstract":"Polytetrafluoroethylene (PTFE) is widely applied in copper-clad laminates for high-frequency communication due to its extremely low dielectric constant and dielectric loss. However, bonding it to other materials without affecting its dielectric properties is challenging due to its ultralow surface energy. This study used polyfluoroalkoxy (PFA), a fluorinated polymer, as a bonding layer to enhance the interfacial adhesion while maintaining other composite properties. Plasma modification was then applied to further strengthen the PTFE/PFA/copper interface. Experimental and calculation results indicate that longer treatment durations and higher power increase surface polar group concentration, thereby improving the adhesive strength without altering the dielectric properties of the composites. The interfacial peel strength under optimized conditions increased from 0.0413 to 0.574 N/mm, representing a 1389.8% increase. This research presents a simple and effective strategy for manufacturing PTFE-based laminates with promising interface strength and dielectric properties, showing significant potential for high-frequency applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"29 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146048844","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}
Pub Date : 2026-01-27DOI: 10.1021/acs.iecr.5c03145
Ricardo N. Dias, Maria F. Serralha, Carla I. C. Pinheiro
This work introduces a novel optimization framework that integrates carbon capture and utilization (CCU) technologies into industrial symbiosis (IS) networks, promoting circular economy objectives in industrial parks. We develop a mixed-integer linear programming model in Pyomo that uses a network-flow formulation coupled with life-cycle assessment to calculate the environmental impacts while maximizing material reuse. Applied to Portugal’s largest industrial complex, the framework identifies 21 economically viable exchange pathways enabling the annual reutilization of 1.87 million tonnes of process materials. Integrating a CCU-based methanol synthesis unit achieves up to 644 kton CO2eq reduction of direct emission per year. Unlike traditional IS studies, our model embeds CCU technologies directly into the exchange network and accommodates planned capacity expansions. These results demonstrate the framework’s potential for the wide-scale deployment of CCU-driven symbiosis strategies to deliver substantial CO2eq reductions and resource efficiency gains.
{"title":"Modeling Industrial Symbiosis to Reduce CO2 Emissions in a Portuguese Industrial Park","authors":"Ricardo N. Dias, Maria F. Serralha, Carla I. C. Pinheiro","doi":"10.1021/acs.iecr.5c03145","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03145","url":null,"abstract":"This work introduces a novel optimization framework that integrates carbon capture and utilization (CCU) technologies into industrial symbiosis (IS) networks, promoting circular economy objectives in industrial parks. We develop a mixed-integer linear programming model in Pyomo that uses a network-flow formulation coupled with life-cycle assessment to calculate the environmental impacts while maximizing material reuse. Applied to Portugal’s largest industrial complex, the framework identifies 21 economically viable exchange pathways enabling the annual reutilization of 1.87 million tonnes of process materials. Integrating a CCU-based methanol synthesis unit achieves up to 644 kton <i>CO</i><sub>2<i>eq</i></sub> reduction of direct emission per year. Unlike traditional IS studies, our model embeds CCU technologies directly into the exchange network and accommodates planned capacity expansions. These results demonstrate the framework’s potential for the wide-scale deployment of CCU-driven symbiosis strategies to deliver substantial <i>CO</i><sub>2<i>eq</i></sub> reductions and resource efficiency gains.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"2 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146048843","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}
Pub Date : 2026-01-27DOI: 10.1021/acs.iecr.5c04050
Luca Fois, Luca Ossi, Giuseppe Storti, Simone Gelosa, Renato Rota, Marco Derudi, Mattia Sponchioni
Due to the complexity of the unsteady state process and the interplay between the two columns due to the two refluxes, predicting the impact of the main operating parameters on the performance of a dual reflux pressure swing adsorption (DRPSA) is challenging and usually carried out by trial-and-error. In this article, the robustness of a DRPSA process with respect to changes in several process operating parameters has been investigated experimentally and validated through model simulations in the case of a CO2–N2 mixture relevant in the field of Carbon Capture and Utilization (CCU). The process targets investigated were purity and recovery of CO2, acting as the heavy component. We found that a given percentage change in any of the investigated process parameters results in a percentage change at least 1 order of magnitude lower in both CO2 purity and recovery, thus supporting the robustness of the process with respect to undesired fluctuations in the values of such process parameters.
{"title":"Carbon Capture by DRPSA: Experimental and Modeling Analysis of the Process Robustness","authors":"Luca Fois, Luca Ossi, Giuseppe Storti, Simone Gelosa, Renato Rota, Marco Derudi, Mattia Sponchioni","doi":"10.1021/acs.iecr.5c04050","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04050","url":null,"abstract":"Due to the complexity of the unsteady state process and the interplay between the two columns due to the two refluxes, predicting the impact of the main operating parameters on the performance of a dual reflux pressure swing adsorption (DRPSA) is challenging and usually carried out by trial-and-error. In this article, the robustness of a DRPSA process with respect to changes in several process operating parameters has been investigated experimentally and validated through model simulations in the case of a CO<sub>2</sub>–N<sub>2</sub> mixture relevant in the field of Carbon Capture and Utilization (CCU). The process targets investigated were purity and recovery of CO<sub>2</sub>, acting as the heavy component. We found that a given percentage change in any of the investigated process parameters results in a percentage change at least 1 order of magnitude lower in both CO<sub>2</sub> purity and recovery, thus supporting the robustness of the process with respect to undesired fluctuations in the values of such process parameters.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"59 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146048845","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}
Developing highly efficient catalysts for the catalytic wet air oxidation (CWAO) of phenolic wastewater remains a challenge. In this paper, a series of Ru catalysts supported on La-doped nanofibers (Ru/LaCoO4-x%) were prepared via an electrospinning and impregnation method. The effect of La content (5%, 10% and 15%) on the physicochemical properties and catalytic performance in phenol degradation was systematically investigated. Characterization results (XRD, XPS, H2-TPR, O2-TPD) indicate that an optimal La doping of 10% induces significant lattice distortion, maximizes the concentration of oxygen vacancies and surface Co3+ sites, and enhances the mobility of chemisorbed oxygen. Furthermore, La doping strengthens the metal–support interaction, leading to superior dispersion of Ru species and facilitating electron transfer. These synergistic effects endow the Ru/LaCoO4-10% catalyst with the highest redox activity, which achieved a superior TOC conversion rate of 88% at 160 °C, significantly outperforming the undoped and other La-doped catalysts. The outstanding performance is attributed to the optimized balance between structural disorder, defect density, and electronic modification, underscoring the efficacy of moderate La doping in designing high-performance CWAO catalysts.
{"title":"The Outstanding Promotion Effect of La on Ru/Co3O4 Nanofiber Catalyst for Catalytic Wet Air Oxidation of Phenol","authors":"Rongji Cui, Bingzheng Zhao, Qingchun Wang, Zhicheng Tang","doi":"10.1021/acs.iecr.5c04721","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04721","url":null,"abstract":"Developing highly efficient catalysts for the catalytic wet air oxidation (CWAO) of phenolic wastewater remains a challenge. In this paper, a series of Ru catalysts supported on La-doped nanofibers (Ru/LaCoO<sub>4</sub>-x%) were prepared via an electrospinning and impregnation method. The effect of La content (5%, 10% and 15%) on the physicochemical properties and catalytic performance in phenol degradation was systematically investigated. Characterization results (XRD, XPS, H<sub>2</sub>-TPR, O<sub>2</sub>-TPD) indicate that an optimal La doping of 10% induces significant lattice distortion, maximizes the concentration of oxygen vacancies and surface Co<sup>3+</sup> sites, and enhances the mobility of chemisorbed oxygen. Furthermore, La doping strengthens the metal–support interaction, leading to superior dispersion of Ru species and facilitating electron transfer. These synergistic effects endow the Ru/LaCoO<sub>4</sub>-10% catalyst with the highest redox activity, which achieved a superior TOC conversion rate of 88% at 160 °C, significantly outperforming the undoped and other La-doped catalysts. The outstanding performance is attributed to the optimized balance between structural disorder, defect density, and electronic modification, underscoring the efficacy of moderate La doping in designing high-performance CWAO catalysts.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"30 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056953","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}
Pub Date : 2026-01-26DOI: 10.1021/acs.iecr.5c03058
Beatriz Cassuriaga,Andreia Santos,Ana Carvalho
Social life cycle assessment is gaining importance, being recognized as a well-established methodology to evaluate potential social risks that might occur in value chains. Several studies have been conducted in applying traditional social databases (e.g., Social Hotspot Database) to assess social risks, but these studies generally do not consider the uncertainty associated with the characterization factors used in the models. This type of uncertainty is intrinsic to social risk modeling, as the underlying indicators and expert-based assessments are inherently variable. Therefore, this paper aims to address this literature gap by proposing an uncertainty analysis methodology that explicitly accounts for the uncertainty associated with the characterization factors. It represents one of the first studies to model such uncertainty directly within the context of the Social Life Cycle Assessment. The methodology will be applied to assess the social performance of two components, a car dashboard and a ship counter bar, manufactured using conventional materials (ABS and reinforced gypsum) and an innovative cellulose-based material. The results show that the methodology is easily employed and applicable to different case studies. The cellulose-based material exhibited significantly lower potential social impacts in the ship counter bar and consistently higher impacts in the car dashboard when compared to conventional materials, and these findings remained consistent even when accounting for uncertainty in the characterization factors. The approach also quantifies the confidence associated with each comparison, reinforcing the robustness of the conclusions. By integrating uncertainty modeling into the Social Life Cycle Assessment, the study enhances the transparency and interpretability of social performance evaluations across different value chains.
{"title":"Advancing Social Life Cycle Assessment: A Novel Approach to Uncertainty Analysis","authors":"Beatriz Cassuriaga,Andreia Santos,Ana Carvalho","doi":"10.1021/acs.iecr.5c03058","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03058","url":null,"abstract":"Social life cycle assessment is gaining importance, being recognized as a well-established methodology to evaluate potential social risks that might occur in value chains. Several studies have been conducted in applying traditional social databases (e.g., Social Hotspot Database) to assess social risks, but these studies generally do not consider the uncertainty associated with the characterization factors used in the models. This type of uncertainty is intrinsic to social risk modeling, as the underlying indicators and expert-based assessments are inherently variable. Therefore, this paper aims to address this literature gap by proposing an uncertainty analysis methodology that explicitly accounts for the uncertainty associated with the characterization factors. It represents one of the first studies to model such uncertainty directly within the context of the Social Life Cycle Assessment. The methodology will be applied to assess the social performance of two components, a car dashboard and a ship counter bar, manufactured using conventional materials (ABS and reinforced gypsum) and an innovative cellulose-based material. The results show that the methodology is easily employed and applicable to different case studies. The cellulose-based material exhibited significantly lower potential social impacts in the ship counter bar and consistently higher impacts in the car dashboard when compared to conventional materials, and these findings remained consistent even when accounting for uncertainty in the characterization factors. The approach also quantifies the confidence associated with each comparison, reinforcing the robustness of the conclusions. By integrating uncertainty modeling into the Social Life Cycle Assessment, the study enhances the transparency and interpretability of social performance evaluations across different value chains.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"4 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146044942","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}
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