Organic–inorganic hybrid perovskite solar cells (PSCs) have recently gained considerable attention because of their excellent power conversion efficiency (PCE), which continuously increases, depending on the growth of the perovskite layer, material composition, and fabrication processes. However, the poor stability of the carrier transport and photoactive perovskite layer has so far been prevented, and stability has improved continuously. Most articles focused on inert atmosphere device fabrication, and only a few reported reproducible methods for fabricating stable PSCs in ambient air. This article presents easy protocols for the fabrication of PSCs with SAM, SAM/Al2O3, and NiOx/SAM/Al2O3 as the hole transport layer (HTL), and C60 and C60/AZO as the electron transport layer (ETL) in p–i–n device configurations in ambient air. We also developed a simple encapsulation strategy and found that the encapsulated device exhibits excellent ambient stability. In this work, our aim is to provide detailed strategies for deposition of high-quality perovskite films and good interfaces under ambient condition, which would yield highly efficient (>20%) PSCs in ambient air. These fabrication strategies of the PSCs in p–i–n configuration would definitely help to develop easy fabrication of silicon-perovskite tandem devices in the near future. This transparent reporting with all details of fabrication will also enable easier replication by other research group. In this study, after fabricating all the devices, we found the best-performing devices with a device structure of ITO/NiOx/SAM/Al2O3/perovskite/C60/AZO/BCP/Ag, which yielded 20.83% PCE and showed more than 10,000 h long-term stability, maintaining 95% of initial PCE.
{"title":"Fabrication of p–i–n Structured Perovskite Solar Cells: Strategies for >20% Efficiency in Ambient Air, Encapsulation for Water, and 1000 h of Operational Stability","authors":"Naba Kr Rana, Tapas Das, Subhajit Jana, Abhishek Sharma, Rajesh Mandal, Rajib Nath, Probodh K. Kuiri, Abhijit Das, Asim Guchhait","doi":"10.1021/acs.iecr.5c04260","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04260","url":null,"abstract":"Organic–inorganic hybrid perovskite solar cells (PSCs) have recently gained considerable attention because of their excellent power conversion efficiency (PCE), which continuously increases, depending on the growth of the perovskite layer, material composition, and fabrication processes. However, the poor stability of the carrier transport and photoactive perovskite layer has so far been prevented, and stability has improved continuously. Most articles focused on inert atmosphere device fabrication, and only a few reported reproducible methods for fabricating stable PSCs in ambient air. This article presents easy protocols for the fabrication of PSCs with SAM, SAM/Al<sub>2</sub>O<sub>3</sub>, and NiOx/SAM/Al<sub>2</sub>O<sub>3</sub> as the hole transport layer (HTL), and C<sub>60</sub> and C<sub>60</sub>/AZO as the electron transport layer (ETL) in p–i–n device configurations in ambient air. We also developed a simple encapsulation strategy and found that the encapsulated device exhibits excellent ambient stability. In this work, our aim is to provide detailed strategies for deposition of high-quality perovskite films and good interfaces under ambient condition, which would yield highly efficient (>20%) PSCs in ambient air. These fabrication strategies of the PSCs in p–i–n configuration would definitely help to develop easy fabrication of silicon-perovskite tandem devices in the near future. This transparent reporting with all details of fabrication will also enable easier replication by other research group. In this study, after fabricating all the devices, we found the best-performing devices with a device structure of ITO/NiOx/SAM/Al<sub>2</sub>O<sub>3</sub>/perovskite/C<sub>60</sub>/AZO/BCP/Ag, which yielded 20.83% PCE and showed more than 10,000 h long-term stability, maintaining 95% of initial PCE.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"28 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116023","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}
Polyimide foams (PIFs) exhibit exceptional properties, including high-temperature resistance, radiation tolerance, and thermal insulation. However, they often face the inherent performance trade-off between mechanical toughness and heat resistance due to the much more rigid molecular frameworks, restricting their application in the field of high technology. To overcome this challenge, the strategy of regulating intermolecular free volume in this study was developed by introducing trifluoromethyl side groups into the polyimide backbone. The enlarged free volume with an enhancement of 8.62% for the fractional free volume (FFV) can promote the generation of abundant nucleation sites during the foaming process and result in a uniform and refined cellular architecture, which exhibits a decreased average pore size from 320 ± 100 to 200 ± 60 μm. Benefiting from the meticulously controlled porous structure, the optimal PIFs achieve a significant improvement of mechanical performance, with compressive strength, toughness, and modulus improving 180, 173, and 278%, respectively, which are superior to those of many other previously reported PI foams with similar or even higher densities. Specifically, the fatigue resistance of the PIFs was significantly enhanced, as evidenced by a compressive strength retention of 91.1% after 30 cyclic compression tests. Meanwhile, the PIFs also demonstrate remarkable heat resistance and thermal insulation, with the glass transition temperature increased by 22 °C and thermal conductivity ranging from 0.028 to 0.030 W·m–1·K–1 at room temperature. This strategy simultaneously improved the mechanical strength and toughness as well as heat resistance of PIFs, which is beneficial for its applications in extreme environments.
{"title":"Fabrication of Polyimide Foams with Enhanced Mechanical Toughness and Heat Resistance via Tuning a Free Volume Strategy","authors":"Siyuan Zhang, Liang Chen, Yaping Zhang, Jinchao Li, Shuen Liang, Keping Chen, Ningning Song","doi":"10.1021/acs.iecr.5c05107","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c05107","url":null,"abstract":"Polyimide foams (PIFs) exhibit exceptional properties, including high-temperature resistance, radiation tolerance, and thermal insulation. However, they often face the inherent performance trade-off between mechanical toughness and heat resistance due to the much more rigid molecular frameworks, restricting their application in the field of high technology. To overcome this challenge, the strategy of regulating intermolecular free volume in this study was developed by introducing trifluoromethyl side groups into the polyimide backbone. The enlarged free volume with an enhancement of 8.62% for the fractional free volume (FFV) can promote the generation of abundant nucleation sites during the foaming process and result in a uniform and refined cellular architecture, which exhibits a decreased average pore size from 320 ± 100 to 200 ± 60 μm. Benefiting from the meticulously controlled porous structure, the optimal PIFs achieve a significant improvement of mechanical performance, with compressive strength, toughness, and modulus improving 180, 173, and 278%, respectively, which are superior to those of many other previously reported PI foams with similar or even higher densities. Specifically, the fatigue resistance of the PIFs was significantly enhanced, as evidenced by a compressive strength retention of 91.1% after 30 cyclic compression tests. Meanwhile, the PIFs also demonstrate remarkable heat resistance and thermal insulation, with the glass transition temperature increased by 22 °C and thermal conductivity ranging from 0.028 to 0.030 W·m<sup>–1</sup>·K<sup>–1</sup> at room temperature. This strategy simultaneously improved the mechanical strength and toughness as well as heat resistance of PIFs, which is beneficial for its applications in extreme environments.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"1 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146101996","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}
The decay of catalytic abilities in the ammoxidation reaction of propane over the Mo–V–Sb–Nb–O catalyst, the regeneration process, its mechanism, stability of catalytic activity, and repeatability of the regeneration process were investigated by activity tests, kinetic studies, atomistic simulation, and various characterizations such as X-ray diffraction, X-ray absorption fine structure, scanning electron microscopy with energy-dispersive X-ray spectroscopy, scanning transmission electron microscopy with energy-dispersive X-ray spectroscopy, H2 temperature-programmed reduction, and Raman spectroscopy. Long-term use of the catalyst caused a decline of crystallinities and formation of Sb2O5, which decreased the acrylonitrile (AN) yield and increased the COx yields. Heat treatment under a N2 flow containing steam caused recrystallization of used catalysts and transformation of Sb2O5 to Sb2O4 as well as recovering the catalytic abilities of used catalysts as much as that of a fresh catalyst. Though the similar decay of the regenerated catalyst occurred after the reaction under excessive oxidation conditions as accelerated aging tests, the Sb2O4 amount did not change. Catalytic abilities and the Sb2O4 amount further increased by repeating the same steam treatment. The improvement of crystallinity and the high olefin adsorption ability of Sb2O4 led to an improvement of AN yield.
{"title":"Enhancement of the Mo–V–Sb–Nb–O Catalyst for Propane Selective Ammoxidation by a Steam Treatment Method","authors":"Kosuke Yamaguchi, Kohei Moriya, Hironobu Oki, Yohei Chikami, Yuki Nakamura, Koharu Kodama, Mitsuharu Higashiguchi, Yuya Oka, Shota Aiki, Yu Onodera, Toru Kakinuma, Daiki Nakanishi, Satoshi Endo, Takaaki Kato","doi":"10.1021/acs.iecr.5c04532","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04532","url":null,"abstract":"The decay of catalytic abilities in the ammoxidation reaction of propane over the Mo–V–Sb–Nb–O catalyst, the regeneration process, its mechanism, stability of catalytic activity, and repeatability of the regeneration process were investigated by activity tests, kinetic studies, atomistic simulation, and various characterizations such as X-ray diffraction, X-ray absorption fine structure, scanning electron microscopy with energy-dispersive X-ray spectroscopy, scanning transmission electron microscopy with energy-dispersive X-ray spectroscopy, H<sub>2</sub> temperature-programmed reduction, and Raman spectroscopy. Long-term use of the catalyst caused a decline of crystallinities and formation of Sb<sub>2</sub>O<sub>5</sub>, which decreased the acrylonitrile (AN) yield and increased the CO<sub><i>x</i></sub> yields. Heat treatment under a N<sub>2</sub> flow containing steam caused recrystallization of used catalysts and transformation of Sb<sub>2</sub>O<sub>5</sub> to Sb<sub>2</sub>O<sub>4</sub> as well as recovering the catalytic abilities of used catalysts as much as that of a fresh catalyst. Though the similar decay of the regenerated catalyst occurred after the reaction under excessive oxidation conditions as accelerated aging tests, the Sb<sub>2</sub>O<sub>4</sub> amount did not change. Catalytic abilities and the Sb<sub>2</sub>O<sub>4</sub> amount further increased by repeating the same steam treatment. The improvement of crystallinity and the high olefin adsorption ability of Sb<sub>2</sub>O<sub>4</sub> led to an improvement of AN yield.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"280 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116079","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 : 2026-02-03DOI: 10.1021/acs.iecr.5c04559
Ting Yang, Jiayuan Yu, Changjiu Xia, Yibin Luo, Xingtian Shu
Shaped catalysts are crucial in fixed-bed olefin epoxidation processes, yet conventional shaping methods using inert binders often dilute active sites and block the micropores of zeolites. Herein, we report a facile alternating vapor–liquid recrystallization (AVLR) strategy for fabricating a binder-free, fully crystalline, and spherical-shaped catalyst (TS-1-B-VL) with abundant hollow cavities. Starting from conventional binder-containing TS-1 spheres (TS-1-B), the AVLR process effectively converts the amorphous silica binder into zeolite and induces the recrystallization of the TS-1 zeolite. This process significantly enhances the relative crystallinity, creates intracrystalline mesopores, and substantially improves the crush strength. The resulting TS-1-B-VL catalyst exhibits exceptional activity and stability in the epoxidation of 1-hexene using H2O2 as the oxidant. This study demonstrates that the AVLR is a versatile and efficient route for producing high-performance zeolite catalysts with great industrial potential.
{"title":"Facile Fabrication of Fully Crystalline Spherical Hollow Titanium Silicalite Zeolite Catalyst via Alternating Vapor–Liquid Phase Recrystallization Treatment","authors":"Ting Yang, Jiayuan Yu, Changjiu Xia, Yibin Luo, Xingtian Shu","doi":"10.1021/acs.iecr.5c04559","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04559","url":null,"abstract":"Shaped catalysts are crucial in fixed-bed olefin epoxidation processes, yet conventional shaping methods using inert binders often dilute active sites and block the micropores of zeolites. Herein, we report a facile alternating vapor–liquid recrystallization (AVLR) strategy for fabricating a binder-free, fully crystalline, and spherical-shaped catalyst (TS-1-B-VL) with abundant hollow cavities. Starting from conventional binder-containing TS-1 spheres (TS-1-B), the AVLR process effectively converts the amorphous silica binder into zeolite and induces the recrystallization of the TS-1 zeolite. This process significantly enhances the relative crystallinity, creates intracrystalline mesopores, and substantially improves the crush strength. The resulting TS-1-B-VL catalyst exhibits exceptional activity and stability in the epoxidation of 1-hexene using H<sub>2</sub>O<sub>2</sub> as the oxidant. This study demonstrates that the AVLR is a versatile and efficient route for producing high-performance zeolite catalysts with great industrial potential.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"90 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116080","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 : 2026-02-03DOI: 10.1021/acs.iecr.5c02081
Mohammad Masoudi, Ariel G. Meyra, Mohammad Nooraiepour, Mohaddeseh Mousavi Nezhad, Aliakbar Hassanpouryouzband, Helge Hellevang
Hydrogen sorption and desorption in natural rocks are increasingly referenced across subsurface energy and environmental applications, including underground hydrogen storage, natural hydrogen exploration, geological hydrogen generation, and radioactive waste containment. However, the extent to which these physical interactions influence hydrogen behavior in geological materials remains poorly understood. This review examines current experimental and theoretical studies (atomistic simulation and isotherm modeling) of hydrogen sorption and desorption in natural rocks. We evaluated reported sorption capacities and their variability across different lithologies alongside the influencing parameters and the occurrence of hysteresis. Additionally, we modeled all available data using multiple isotherm models to identify the best-fitting formulations. By synthesizing results across diverse methods and geological settings, we identify where physical sorption–desorption is likely to matter, where it is negligible, and what this means for understanding hydrogen transport and retention in the subsurface. Additionally, we provided practical implications of adsorption–desorption, identified critical data gaps, and proposed future research directions to advance the understanding of hydrogen behavior in geological formations.
{"title":"Revisiting Hydrogen Sorption–Desorption in Natural Rocks","authors":"Mohammad Masoudi, Ariel G. Meyra, Mohammad Nooraiepour, Mohaddeseh Mousavi Nezhad, Aliakbar Hassanpouryouzband, Helge Hellevang","doi":"10.1021/acs.iecr.5c02081","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02081","url":null,"abstract":"Hydrogen sorption and desorption in natural rocks are increasingly referenced across subsurface energy and environmental applications, including underground hydrogen storage, natural hydrogen exploration, geological hydrogen generation, and radioactive waste containment. However, the extent to which these physical interactions influence hydrogen behavior in geological materials remains poorly understood. This review examines current experimental and theoretical studies (atomistic simulation and isotherm modeling) of hydrogen sorption and desorption in natural rocks. We evaluated reported sorption capacities and their variability across different lithologies alongside the influencing parameters and the occurrence of hysteresis. Additionally, we modeled all available data using multiple isotherm models to identify the best-fitting formulations. By synthesizing results across diverse methods and geological settings, we identify where physical sorption–desorption is likely to matter, where it is negligible, and what this means for understanding hydrogen transport and retention in the subsurface. Additionally, we provided practical implications of adsorption–desorption, identified critical data gaps, and proposed future research directions to advance the understanding of hydrogen behavior in geological formations.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"44 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146101994","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 : 2026-02-03DOI: 10.1021/acs.iecr.5c03565
Tung-Chun Wu, Yuan-Cheng Hsieh, Kun-Han Lin, Yu-Jeng Lin
Accurate prediction of amine pKa values is critical for the rational design of CO2 capture solvents, as basicity is one of the fundamental properties strongly influencing absorption kinetics and capacity. This work advances predictive modeling by refining implicit solvation protocols and introducing a quantum-informed delta-learning framework. The optimized implicit model yields consistent accuracy for primary and secondary amines but systematically overestimates the occurrence of tertiary amines. To address this limitation, the delta-learning approach integrates first-principles predictions with machine-learning corrections, achieving a mean absolute error of 0.36 pKa across 116 diverse amines while maintaining low uncertainty, outperforming both first-principles and purely data-driven models. It delivers reliable performance even with limited training data and is insensitive to the choice of the machine learning model. These results demonstrate that coupling physics-based solvation models with data-driven corrections improves both the accuracy and generalizability. The proposed framework provides a scalable and data-efficient tool for CO2 capture solvent screening.
{"title":"Accurate Amine pKa Prediction for CO2 Capture Solvents Using Improved Solvation Coupled with Quantum-Informed Delta-Learning","authors":"Tung-Chun Wu, Yuan-Cheng Hsieh, Kun-Han Lin, Yu-Jeng Lin","doi":"10.1021/acs.iecr.5c03565","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03565","url":null,"abstract":"Accurate prediction of amine p<i>K</i><sub>a</sub> values is critical for the rational design of CO<sub>2</sub> capture solvents, as basicity is one of the fundamental properties strongly influencing absorption kinetics and capacity. This work advances predictive modeling by refining implicit solvation protocols and introducing a quantum-informed delta-learning framework. The optimized implicit model yields consistent accuracy for primary and secondary amines but systematically overestimates the occurrence of tertiary amines. To address this limitation, the delta-learning approach integrates first-principles predictions with machine-learning corrections, achieving a mean absolute error of 0.36 p<i>K</i><sub>a</sub> across 116 diverse amines while maintaining low uncertainty, outperforming both first-principles and purely data-driven models. It delivers reliable performance even with limited training data and is insensitive to the choice of the machine learning model. These results demonstrate that coupling physics-based solvation models with data-driven corrections improves both the accuracy and generalizability. The proposed framework provides a scalable and data-efficient tool for CO<sub>2</sub> capture solvent screening.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"87 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146101995","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 : 2026-02-03DOI: 10.1021/acs.iecr.5c04102
Hooman Hosseini, Tamra Weemes, Kristina Fontenot, Christian Jones, Cornell Stanciu, Philip Richards
Foam and entrained air impede pulp and paper operations, particularly in modern high-speed and closed-loop systems. Fatty alcohol-based defoamers remain cost-effective and robust under elevated temperature and shear. This study evaluates a distinct class of long-chain fatty alcohols produced by blending narrowly distributed fatty alcohol fractions with synthetic Ziegler-derived linear saturated alcohols. The blend was designed to increase the melting point, broaden the alkyl chain-length distribution, and enhance the relative contributions of both short- and long-chain fatty alcohol fractions, resulting in a refined C18–C22 distribution, a higher hydroxyl value, and an elevated melting point compared to conventional Ziegler-derived alcohols. Methods: The performance was assessed in oil-in-water (O/W) emulsification and foam control under white-water conditions (35–60 °C). Emulsions prepared at controlled shear rates showed stable viscosity and structural integrity under standard, thermal, and shear-induced storage conditions, whereas formulations containing lower-melting fatty alcohols often demonstrated phase separation and thickening at a high active content. A volumetric method was developed to quantify antifoam action by measuring the maximum foam expansion length (tmax). Antifoaming and defoaming behavior were measured using an Automated Dynamic Foam Analyzer (DFA) at varying temperatures and a 30 ppm active dosage. In-process trials evaluated midstage addition under representative mill conditions. Results and Findings: DFA measurements demonstrated that 30 ppm of active dosage significantly reduced both foam formation rate and foam half-life across all temperatures. The optimized fatty alcohol blend exhibited strong defoaming below its melting point (∼55 °C), attributed to the enhanced entering and bridging of foam lamellae by well-dispersed alcohol particles. Particles within the 3–6 μm range generated sufficient capillary pressure and favorable spreading to promote bridging-dewetting and rapid film rupture. At 55–60 °C, defoaming peaked near 55 °C, and both high-melting emulsions performed similarly at 60 °C. In-process trials showed that midstage addition of 30 ppm emulsion led to near-complete foam collapse. Overall, the tailored long-chain fatty alcohol blend provides a reliable and efficient foam-control agent for pulp and paper applications, offering superior stability and performance relative to those of traditional fatty alcohol formulations.
{"title":"Advancing Foam Control in Paper Machines with Ziegler-Derived Linear Saturated Fatty Alcohol Emulsions","authors":"Hooman Hosseini, Tamra Weemes, Kristina Fontenot, Christian Jones, Cornell Stanciu, Philip Richards","doi":"10.1021/acs.iecr.5c04102","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04102","url":null,"abstract":"Foam and entrained air impede pulp and paper operations, particularly in modern high-speed and closed-loop systems. Fatty alcohol-based defoamers remain cost-effective and robust under elevated temperature and shear. This study evaluates a distinct class of long-chain fatty alcohols produced by blending narrowly distributed fatty alcohol fractions with synthetic Ziegler-derived linear saturated alcohols. The blend was designed to increase the melting point, broaden the alkyl chain-length distribution, and enhance the relative contributions of both short- and long-chain fatty alcohol fractions, resulting in a refined C18–C22 distribution, a higher hydroxyl value, and an elevated melting point compared to conventional Ziegler-derived alcohols. Methods: The performance was assessed in oil-in-water (O/W) emulsification and foam control under white-water conditions (35–60 °C). Emulsions prepared at controlled shear rates showed stable viscosity and structural integrity under standard, thermal, and shear-induced storage conditions, whereas formulations containing lower-melting fatty alcohols often demonstrated phase separation and thickening at a high active content. A volumetric method was developed to quantify antifoam action by measuring the maximum foam expansion length (<i>t</i><sub>max</sub>). Antifoaming and defoaming behavior were measured using an Automated Dynamic Foam Analyzer (DFA) at varying temperatures and a 30 ppm active dosage. In-process trials evaluated midstage addition under representative mill conditions. Results and Findings: DFA measurements demonstrated that 30 ppm of active dosage significantly reduced both foam formation rate and foam half-life across all temperatures. The optimized fatty alcohol blend exhibited strong defoaming below its melting point (∼55 °C), attributed to the enhanced entering and bridging of foam lamellae by well-dispersed alcohol particles. Particles within the 3–6 μm range generated sufficient capillary pressure and favorable spreading to promote bridging-dewetting and rapid film rupture. At 55–60 °C, defoaming peaked near 55 °C, and both high-melting emulsions performed similarly at 60 °C. In-process trials showed that midstage addition of 30 ppm emulsion led to near-complete foam collapse. Overall, the tailored long-chain fatty alcohol blend provides a reliable and efficient foam-control agent for pulp and paper applications, offering superior stability and performance relative to those of traditional fatty alcohol formulations.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"2 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116078","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}
Glucose hydrogenation is a critical industrial process for biomass conversion. However, this process often faces challenges, such as unsatisfactory mass and heat transfer, harsh reaction conditions, and catalyst deactivation. Herein, a continuous glucose hydrogenation process is developed utilizing a micropacked bed reactor. Using Ru/C catalyst, full conversion and satisfactory selectivity to sorbitol (99.0%) are achieved under mild reaction conditions (100 °C, 1 MPa), with a high space-time yield of 1.25 gsorb/(gcat·h). No significant catalyst deactivation is observed over 500 h, and the turnover number (53,144) exceeds those reported in the literature (9 – 3350), demonstrating the remarkable stability of Ru/C catalyst. The reaction kinetics are established. Additionally, the system is successfully applied to various sugar substrates, indicating excellent substrate compatibility. High yields and STYs are achieved under milder temperatures and hydrogen pressures. The continuous flow system offers a promising approach to biomass hydrogenation reactions.
{"title":"Continuous Hydrogenation of Glucose in a Micropacked Bed Reactor","authors":"Yiwei Fan,Mengmeng Huang,Peixia Wang,Wei Liu,Jisong Zhang","doi":"10.1021/acs.iecr.5c03941","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03941","url":null,"abstract":"Glucose hydrogenation is a critical industrial process for biomass conversion. However, this process often faces challenges, such as unsatisfactory mass and heat transfer, harsh reaction conditions, and catalyst deactivation. Herein, a continuous glucose hydrogenation process is developed utilizing a micropacked bed reactor. Using Ru/C catalyst, full conversion and satisfactory selectivity to sorbitol (99.0%) are achieved under mild reaction conditions (100 °C, 1 MPa), with a high space-time yield of 1.25 gsorb/(gcat·h). No significant catalyst deactivation is observed over 500 h, and the turnover number (53,144) exceeds those reported in the literature (9 – 3350), demonstrating the remarkable stability of Ru/C catalyst. The reaction kinetics are established. Additionally, the system is successfully applied to various sugar substrates, indicating excellent substrate compatibility. High yields and STYs are achieved under milder temperatures and hydrogen pressures. The continuous flow system offers a promising approach to biomass hydrogenation reactions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"5 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146097909","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 : 2026-02-02DOI: 10.1021/acs.iecr.5c04117
Kashan Bashir,Hang Zhao,Xiaocheng Lan,Tiefeng Wang
The CoMn2O4–Ni/NiOx tetragonal spinel catalyst, synthesized via low-temperature precursor-ordering modulation to tailor intrinsic oxygen vacancy (OV) density and Mn4+/Mn3+ redox pairs, achieves exceptional efficiency in the selective oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) under ambient conditions. Mechanistic analysis reveals a Mars–van Krevelen pathway, where lattice oxygen (OL) from Mn4+–O–Mn4+ motifs drives sequential dehydrogenation via 2,5-diformylfuran (DFF) and 5-formyl-2-furancarboxylic acid (FFCA) intermediates, while OV rich Ni–Mn interfaces enhance HMF adsorption and stabilize reactive •OCl– species from NaClO. The catalyst’s optimized defect architecture, with 72% OV and Mn4+/Mn3+ redox cycling, enables 93% FDCA yield with a record productivity of 0.921 h–1 at room temperature, surpassing conventional systems. The role of Mn4+–OV–Ni2+ junctions moderate interfacial charge transfer and suppress overoxidation by stabilizing reactive intermediates. The adsorption of the aldehyde group of HMF on Mn4+ sites polarizes the C═O bond, facilitating hydration to a gem-diol intermediate, followed by β-H abstraction and oxidative dehydrogenation to FDCA. This work establishes a blueprint for defect-engineered transition-metal oxide catalysts, emphasizing redox synergy and adsorption kinetics to advance sustainable FDCA production for industrial biomass valorization.
CoMn2O4-Ni /NiOx四方尖晶石催化剂通过低温前驱体有序调制来调整固有氧空位（OV）密度和Mn4+/Mn3+氧化还原对，在室温条件下实现了5-羟甲基糠醛（HMF）选择性氧化为2,5-呋喃二羧酸（FDCA）的优异效率。机理分析揭示了一个火星- van Krevelen途径，其中来自Mn4+ - o - Mn4+基序的晶格氧（OL）通过2,5-二甲酰呋喃（DFF）和5-甲酰基-2-呋喃羧酸（FFCA）中间体驱动顺序脱氢，而富含OV的Ni-Mn界面增强HMF吸附并稳定NaClO中的活性•OCl -物质。该催化剂的优化缺陷结构，具有72%的OV和Mn4+/Mn3+氧化还原循环，在室温下可实现93%的FDCA产率，创纪录的生产率为0.921 h-1，超过传统体系。Mn4+ -OV-Ni2 +结的作用是通过稳定反应中间体来调节界面电荷转移和抑制过氧化。HMF的醛基团在Mn4+位点上的吸附使C = O键极化，促进水合成宝石二醇中间体，然后进行β-H萃取和氧化脱氢生成FDCA。这项工作建立了缺陷工程过渡金属氧化物催化剂的蓝图，强调氧化还原协同作用和吸附动力学，以促进可持续的FDCA生产，用于工业生物质增值。
{"title":"Selective Oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic Acid over CoMn2O4–NiOx Spinel Catalysts","authors":"Kashan Bashir,Hang Zhao,Xiaocheng Lan,Tiefeng Wang","doi":"10.1021/acs.iecr.5c04117","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04117","url":null,"abstract":"The CoMn2O4–Ni/NiOx tetragonal spinel catalyst, synthesized via low-temperature precursor-ordering modulation to tailor intrinsic oxygen vacancy (OV) density and Mn4+/Mn3+ redox pairs, achieves exceptional efficiency in the selective oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) under ambient conditions. Mechanistic analysis reveals a Mars–van Krevelen pathway, where lattice oxygen (OL) from Mn4+–O–Mn4+ motifs drives sequential dehydrogenation via 2,5-diformylfuran (DFF) and 5-formyl-2-furancarboxylic acid (FFCA) intermediates, while OV rich Ni–Mn interfaces enhance HMF adsorption and stabilize reactive •OCl– species from NaClO. The catalyst’s optimized defect architecture, with 72% OV and Mn4+/Mn3+ redox cycling, enables 93% FDCA yield with a record productivity of 0.921 h–1 at room temperature, surpassing conventional systems. The role of Mn4+–OV–Ni2+ junctions moderate interfacial charge transfer and suppress overoxidation by stabilizing reactive intermediates. The adsorption of the aldehyde group of HMF on Mn4+ sites polarizes the C═O bond, facilitating hydration to a gem-diol intermediate, followed by β-H abstraction and oxidative dehydrogenation to FDCA. This work establishes a blueprint for defect-engineered transition-metal oxide catalysts, emphasizing redox synergy and adsorption kinetics to advance sustainable FDCA production for industrial biomass valorization.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"58 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146097863","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 : 2026-02-02DOI: 10.1021/acs.iecr.5c04148
Yue Huang,Jinyu Liu,Tianxia Liu,Yuting Hong,Xianguo Hu
This study successfully prepared oleic-acid-modified nitrated soot-loaded TiO2 composite material (CS/TiO2) using the hydrothermal method, aiming to explore the tribological performance and lubrication mechanism of the synergistic effect between CS and TiO2. This composite material significantly improves its dispersion stability in lubricating oil by growing TiO2 nanoparticles in situ on the CS surface and grafting them onto the oleic acid surface. Through the four-ball friction and wear test, it was found that when the concentration of CS/TiO2 added to liquid paraffin (LP) was 0.4 wt %, it exhibited the best antifriction and antiwear performance. Compared with the LP, the average friction coefficient and average wear scar diameter were reduced by 36.6 and 14.3%, respectively. XPS and SEM analysis of the worn surface showed that CS/TiO2 formed a lubricating protective film rich in C, O, and Fe on the surface of the steel ball through frictional chemical reactions during the friction process. Mechanism studies have shown that TiO2 nanoparticles have the polishing effect of “micro bearings”, while CS constructs a hard carbon-based lubricating film, and the two mechanisms work together to reduce direct contact on the friction surface. Density functional theory (DFT) and molecular dynamics (MD) simulations further reveal at the atomic scale that the long-chain molecular steric hindrance effect of CS effectively suppresses the aggregation of TiO2, increases the adsorption energy of the composite material at the metal interface, and forms a stable and continuous friction film, endowing the composite material with excellent long-term effectiveness and high load lubrication potential. This study provides a new paradigm for developing efficient carbon-based lubricant additives.
{"title":"Tribological Characteristics and Synergistic Lubrication Mechanisms of a Novel Additive Based on TiO2 Supported by Coal-to-Oil Soot Nanoparticles","authors":"Yue Huang,Jinyu Liu,Tianxia Liu,Yuting Hong,Xianguo Hu","doi":"10.1021/acs.iecr.5c04148","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04148","url":null,"abstract":"This study successfully prepared oleic-acid-modified nitrated soot-loaded TiO2 composite material (CS/TiO2) using the hydrothermal method, aiming to explore the tribological performance and lubrication mechanism of the synergistic effect between CS and TiO2. This composite material significantly improves its dispersion stability in lubricating oil by growing TiO2 nanoparticles in situ on the CS surface and grafting them onto the oleic acid surface. Through the four-ball friction and wear test, it was found that when the concentration of CS/TiO2 added to liquid paraffin (LP) was 0.4 wt %, it exhibited the best antifriction and antiwear performance. Compared with the LP, the average friction coefficient and average wear scar diameter were reduced by 36.6 and 14.3%, respectively. XPS and SEM analysis of the worn surface showed that CS/TiO2 formed a lubricating protective film rich in C, O, and Fe on the surface of the steel ball through frictional chemical reactions during the friction process. Mechanism studies have shown that TiO2 nanoparticles have the polishing effect of “micro bearings”, while CS constructs a hard carbon-based lubricating film, and the two mechanisms work together to reduce direct contact on the friction surface. Density functional theory (DFT) and molecular dynamics (MD) simulations further reveal at the atomic scale that the long-chain molecular steric hindrance effect of CS effectively suppresses the aggregation of TiO2, increases the adsorption energy of the composite material at the metal interface, and forms a stable and continuous friction film, endowing the composite material with excellent long-term effectiveness and high load lubrication potential. This study provides a new paradigm for developing efficient carbon-based lubricant additives.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"23 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146097915","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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