Congyou Yang, Zhiyong Xu, Ning Zhao, Bo Wang, Wenbo Zhao
To address the high energy consumption, insufficient thermal stability, and lack of systematic optimization strategies of conventional aqueous alkanolamine CO 2 absorbents, this study developed a blended monoethanolamine/ethylene glycol (EG) absorbent system by replacing water with EG. The CO 2 absorption performance was systematically investigated. Validated kinetic and thermodynamic models were integrated into a robust coupled model to simulate absorption behavior. Based on the coupled model, two optimization strategies for the CO 2 absorption process were proposed: determining the optimal absorption temperature to maximize absorption capacity under fixed CO 2 partial pressure and absorption time; identifying the optimal temperature to minimize absorption time under fixed CO 2 partial pressure and absorption capacity. The research results indicate that both optimization strategies exhibit significant optimization effects under a variety of absorption conditions. This study provides a vital theoretical framework and experimental foundation for the design of industrial CO 2 capture absorbents and the optimization of process parameters.
{"title":"Absorption capacity and time optimization of CO 2 capture in MEA–EG system based on kinetic‐thermodynamic coupled model","authors":"Congyou Yang, Zhiyong Xu, Ning Zhao, Bo Wang, Wenbo Zhao","doi":"10.1002/aic.70264","DOIUrl":"https://doi.org/10.1002/aic.70264","url":null,"abstract":"To address the high energy consumption, insufficient thermal stability, and lack of systematic optimization strategies of conventional aqueous alkanolamine CO <jats:sub>2</jats:sub> absorbents, this study developed a blended monoethanolamine/ethylene glycol (EG) absorbent system by replacing water with EG. The CO <jats:sub>2</jats:sub> absorption performance was systematically investigated. Validated kinetic and thermodynamic models were integrated into a robust coupled model to simulate absorption behavior. Based on the coupled model, two optimization strategies for the CO <jats:sub>2</jats:sub> absorption process were proposed: determining the optimal absorption temperature to maximize absorption capacity under fixed CO <jats:sub>2</jats:sub> partial pressure and absorption time; identifying the optimal temperature to minimize absorption time under fixed CO <jats:sub>2</jats:sub> partial pressure and absorption capacity. The research results indicate that both optimization strategies exhibit significant optimization effects under a variety of absorption conditions. This study provides a vital theoretical framework and experimental foundation for the design of industrial CO <jats:sub>2</jats:sub> capture absorbents and the optimization of process parameters.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"30 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146070561","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}
High‐entropy oxides (HEOs) are promising heterogeneous catalysts due to their multiple active sites and structural stability, but their application is limited by complex synthesis and nanoparticle sintering. Here, we present a defect‐induced strategy to construct strong metal‐support interactions (SMSI) between MnCeNiCuCo HEO nanoparticles and defect‐rich hexagonal boron nitride nanosheets (h‐BNNS), forming HEO/h‐BNNS. Contrary to classical H 2 ‐induced SMSI, the inherent N/B vacancies in h‐BNNS anchor the HEO and induce spontaneous B‐atom migration over the HEO surface under N 2 , forming a permeable B–O encapsulation. This encapsulation not only inhibits sintering but also induces electronic coupling with the HEO lattice, modulating local charge density and generating abundant oxygen vacancies. Using aerobic oxidative desulfurization as a model reaction, HEO/h‐BNNS achieves a 99.9% desulfurization efficiency. This work demonstrates a defect‐driven pathway to engineer supported high‐entropy catalysts and provides a rational framework for designing efficient, durable, and scalable catalytic systems for energy and environmental applications.
{"title":"Defect‐driven electronic coupling and oxygen vacancy engineering in supported high‐entropy oxides for desulfurization","authors":"Chang Deng, Zhendong Yu, Xueyan Ju, Feng Liu, Mingfeng Li, Benlin Dai, Feihu Mu, Xiaozhong Chu, Peiwen Wu, Wenshuai Zhu","doi":"10.1002/aic.70273","DOIUrl":"https://doi.org/10.1002/aic.70273","url":null,"abstract":"High‐entropy oxides (HEOs) are promising heterogeneous catalysts due to their multiple active sites and structural stability, but their application is limited by complex synthesis and nanoparticle sintering. Here, we present a defect‐induced strategy to construct strong metal‐support interactions (SMSI) between MnCeNiCuCo HEO nanoparticles and defect‐rich hexagonal boron nitride nanosheets (h‐BNNS), forming HEO/h‐BNNS. Contrary to classical H <jats:sub>2</jats:sub> ‐induced SMSI, the inherent N/B vacancies in h‐BNNS anchor the HEO and induce spontaneous B‐atom migration over the HEO surface under N <jats:sub>2</jats:sub> , forming a permeable B–O encapsulation. This encapsulation not only inhibits sintering but also induces electronic coupling with the HEO lattice, modulating local charge density and generating abundant oxygen vacancies. Using aerobic oxidative desulfurization as a model reaction, HEO/h‐BNNS achieves a 99.9% desulfurization efficiency. This work demonstrates a defect‐driven pathway to engineer supported high‐entropy catalysts and provides a rational framework for designing efficient, durable, and scalable catalytic systems for energy and environmental applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"30 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056002","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}
Precise sieving of structurally similar solutes in organic solvents is crucial for chemical industries such as pharmaceutical synthesis and petroleum refining. However, it remains technically challenging due to their similar physicochemical properties. Achieving this with organic solvent nanofiltration (OSN) requires membranes with narrow pore‐size distribution and tailored surface chemistry. Herein, we report an additive‐free strategy to prepare ultrathin, structurally homogeneous polyamide (PA) nanofilms via alkyl chain engineering during interfacial polymerization (IP). Alkyl chains synergistically regulate the diffusion kinetics and the reaction process: they enable rapid, uniform amine supply while introducing steric hindrance that moderates polycondensation. This dual regulation yields a structurally homogeneous PA layer with sub‐nanometer pores. The optimized membrane shows a sharp rejection curve and effectively separates antibiotics, demonstrating promise for pharmaceutical purification. This work advances the understanding of diffusion‐reaction synergy in IP and offers a facile strategy for precision separation membranes.
{"title":"Polyamide membranes with structural homogeneity regulated by alkyl chain engineering for precise molecular sieving","authors":"Hui Yang, Dan Wang, Shuyun Gu, Linlong Zhou, Siyao Li, Zhi Xu","doi":"10.1002/aic.70250","DOIUrl":"https://doi.org/10.1002/aic.70250","url":null,"abstract":"Precise sieving of structurally similar solutes in organic solvents is crucial for chemical industries such as pharmaceutical synthesis and petroleum refining. However, it remains technically challenging due to their similar physicochemical properties. Achieving this with organic solvent nanofiltration (OSN) requires membranes with narrow pore‐size distribution and tailored surface chemistry. Herein, we report an additive‐free strategy to prepare ultrathin, structurally homogeneous polyamide (PA) nanofilms via alkyl chain engineering during interfacial polymerization (IP). Alkyl chains synergistically regulate the diffusion kinetics and the reaction process: they enable rapid, uniform amine supply while introducing steric hindrance that moderates polycondensation. This dual regulation yields a structurally homogeneous PA layer with sub‐nanometer pores. The optimized membrane shows a sharp rejection curve and effectively separates antibiotics, demonstrating promise for pharmaceutical purification. This work advances the understanding of diffusion‐reaction synergy in IP and offers a facile strategy for precision separation membranes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"504 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056003","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}
Xiaoling Liu, Mingzhen Wang, Ting Li, Jiao Wei, Tian Rong, Qiqi Liu, Yajie Wang, Yu Zhou, Jun Wang
Efficient removal of trace acetylene (C 2 H 2 ) from ethylene (C 2 H 4 ) is crucial for polymer production, yet remains challenging for physisorption separation owing to their molecular similarity. Herein, we synthesized a series of LTL zeolites with varied Si/Al ratios via an acid co‐hydrolysis route. The optimal adsorbent LTL(2.3) with a low Si/Al ratio of 2.3 exhibited both high C 2 H 2 uptake (2.79 mmol g −1 ) and C 2 H 2 /C 2 H 4 (1/99, v / v ) selectivity of 26.84 at 1 bar and 298 K, as well as superior dynamic separation efficiency. Structural refinement based on high‐resolution powder X‐ray diffraction (PXRD) patterns illustrates that reducing Si/Al ratio provides more K + cation that serves as the strong C 2 H 2 binding sites, thereby promoting the C 2 H 2 /C 2 H 4 separation. Moreover, the optimal LTL zeolite also demonstrates favorable separation efficiency towards other gas mixtures (e.g., CO 2 /N 2 , CO 2 /CH 4 , C 2 H 4 /C 2 H 6 , and C 3 H 6 /C 3 H 8 ), showing the promising potential as a versatile adsorbent for gas separation and purification.
{"title":"Regulating silica/alumina ratio of LTL zeolites for acetylene/ethylene separation","authors":"Xiaoling Liu, Mingzhen Wang, Ting Li, Jiao Wei, Tian Rong, Qiqi Liu, Yajie Wang, Yu Zhou, Jun Wang","doi":"10.1002/aic.70255","DOIUrl":"https://doi.org/10.1002/aic.70255","url":null,"abstract":"Efficient removal of trace acetylene (C <jats:sub>2</jats:sub> H <jats:sub>2</jats:sub> ) from ethylene (C <jats:sub>2</jats:sub> H <jats:sub>4</jats:sub> ) is crucial for polymer production, yet remains challenging for physisorption separation owing to their molecular similarity. Herein, we synthesized a series of LTL zeolites with varied Si/Al ratios via an acid co‐hydrolysis route. The optimal adsorbent LTL(2.3) with a low Si/Al ratio of 2.3 exhibited both high C <jats:sub>2</jats:sub> H <jats:sub>2</jats:sub> uptake (2.79 mmol g <jats:sup>−1</jats:sup> ) and C <jats:sub>2</jats:sub> H <jats:sub>2</jats:sub> /C <jats:sub>2</jats:sub> H <jats:sub>4</jats:sub> (1/99, <jats:italic>v</jats:italic> / <jats:italic>v</jats:italic> ) selectivity of 26.84 at 1 bar and 298 K, as well as superior dynamic separation efficiency. Structural refinement based on high‐resolution powder X‐ray diffraction (PXRD) patterns illustrates that reducing Si/Al ratio provides more K <jats:sup>+</jats:sup> cation that serves as the strong C <jats:sub>2</jats:sub> H <jats:sub>2</jats:sub> binding sites, thereby promoting the C <jats:sub>2</jats:sub> H <jats:sub>2</jats:sub> /C <jats:sub>2</jats:sub> H <jats:sub>4</jats:sub> separation. Moreover, the optimal LTL zeolite also demonstrates favorable separation efficiency towards other gas mixtures (e.g., CO <jats:sub>2</jats:sub> /N <jats:sub>2</jats:sub> , CO <jats:sub>2</jats:sub> /CH <jats:sub>4</jats:sub> , C <jats:sub>2</jats:sub> H <jats:sub>4</jats:sub> /C <jats:sub>2</jats:sub> H <jats:sub>6</jats:sub> , and C <jats:sub>3</jats:sub> H <jats:sub>6</jats:sub> /C <jats:sub>3</jats:sub> H <jats:sub>8</jats:sub> ), showing the promising potential as a versatile adsorbent for gas separation and purification.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"40 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056004","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}
Long Qian, Gaoyuan Gu, Yao Zhu, Yuhao Yin, Songlin Xue, Yuting Dai, Tao Zhang, Dongya Yang, Toshiharu Teranishi, Fengxian Qiu
Activating the lattice oxygen mechanism (LOM) is an effective strategy to enhance the oxygen evolution reaction (OER) activity of catalysts, thereby further promoting overall water splitting for hydrogen production. In this work, a dual modulation electrocatalyst (donated as S, Mo–RuCoO x ) was prepared by ion‐exchange and sulfurization methods. The optimized S, Mo–RuCoO x catalyst demonstrated exceptional OER activity in the alkaline environment with an overpotential of only 222 mV to reach 10 mA cm −2 , as well as an electrolytic cell voltage of 1.62 V at 100 mA cm −2 . The experimental results and theoretical calculations proved that the dual modulation enables the d ‐band center of the RuCo composite to be close to the Fermi energy level ( EF ), which activated the LOM pathway and lowers the reaction energy barrier, thereby enhancing the OER performance. This work presents a facile approach to activate LOM and achieve efficient hydrogen production from water electrolysis.
激活晶格氧机制（LOM）是提高催化剂析氧反应（OER）活性的有效策略，从而进一步促进整体水裂解制氢。本文采用离子交换和硫化法制备了双调制电催化剂S， Mo-RuCoO x。优化后的S， Mo-RuCoO x催化剂在碱性环境中表现出优异的OER活性，过电位仅为222 mV，达到10 mA cm - 2，电解池电压为1.62 V，为100 mA cm - 2。实验结果和理论计算证明，双调制使RuCo复合材料的d波段中心接近费米能级（E F），激活了LOM途径，降低了反应能垒，从而提高了OER性能。这项工作提出了一种简便的方法来激活LOM并实现水电解高效制氢。
{"title":"Lattice oxygen mechanism enhanced alkaline oxygen evolution and water splitting","authors":"Long Qian, Gaoyuan Gu, Yao Zhu, Yuhao Yin, Songlin Xue, Yuting Dai, Tao Zhang, Dongya Yang, Toshiharu Teranishi, Fengxian Qiu","doi":"10.1002/aic.70270","DOIUrl":"https://doi.org/10.1002/aic.70270","url":null,"abstract":"Activating the lattice oxygen mechanism (LOM) is an effective strategy to enhance the oxygen evolution reaction (OER) activity of catalysts, thereby further promoting overall water splitting for hydrogen production. In this work, a dual modulation electrocatalyst (donated as S, Mo–RuCoO <jats:sub> <jats:italic>x</jats:italic> </jats:sub> ) was prepared by ion‐exchange and sulfurization methods. The optimized S, Mo–RuCoO <jats:sub> <jats:italic>x</jats:italic> </jats:sub> catalyst demonstrated exceptional OER activity in the alkaline environment with an overpotential of only 222 mV to reach 10 mA cm <jats:sup>−2</jats:sup> , as well as an electrolytic cell voltage of 1.62 V at 100 mA cm <jats:sup>−2</jats:sup> . The experimental results and theoretical calculations proved that the dual modulation enables the <jats:italic>d</jats:italic> ‐band center of the RuCo composite to be close to the Fermi energy level ( <jats:italic>E</jats:italic> <jats:sub>F</jats:sub> ), which activated the LOM pathway and lowers the reaction energy barrier, thereby enhancing the OER performance. This work presents a facile approach to activate LOM and achieve efficient hydrogen production from water electrolysis.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"88 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056273","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}
Linear carboxylic esters are promising physical solvents for efficient CO 2 absorption. In order to examine their potential application in CO 2 capture under high CO 2 partial pressure, we measured the vapor–liquid equilibrium (VLE) data of CO 2 + different carboxylic esters under low temperatures and high pressures, and the obtained VLE data were well correlated using PR, SRK, and PC‐SAFT equations. Thermodynamic analysis, quantum chemical calculation, and molecular dynamics simulation were carried out to provide the thermodynamic and molecular insights into the mechanisms of CO 2 absorption, and the effects of the esters' molecular structure on their CO 2 absorption performance. It is found that the carbon‐chain length of the alkyl groups, especially for those connected with the oxygen atom in ester groups, has significant effects on CO 2 absorption capability. Moreover, the methyl acetate with the shorter carbon‐chain length shows the highest CO 2 solubility, indicating it as a potential candidate toward efficient CO 2 capture.
{"title":"Thermodynamic and molecular insights into CO 2 absorption using linear carboxylic esters","authors":"Ruxing Gao, Zunmin Zhang, Yufan Zhao, Chenggang Bao, Hao jiang, Xianqiang Li, Chundong Zhang","doi":"10.1002/aic.70261","DOIUrl":"https://doi.org/10.1002/aic.70261","url":null,"abstract":"Linear carboxylic esters are promising physical solvents for efficient CO <jats:sub>2</jats:sub> absorption. In order to examine their potential application in CO <jats:sub>2</jats:sub> capture under high CO <jats:sub>2</jats:sub> partial pressure, we measured the vapor–liquid equilibrium (VLE) data of CO <jats:sub>2</jats:sub> + different carboxylic esters under low temperatures and high pressures, and the obtained VLE data were well correlated using PR, SRK, and PC‐SAFT equations. Thermodynamic analysis, quantum chemical calculation, and molecular dynamics simulation were carried out to provide the thermodynamic and molecular insights into the mechanisms of CO <jats:sub>2</jats:sub> absorption, and the effects of the esters' molecular structure on their CO <jats:sub>2</jats:sub> absorption performance. It is found that the carbon‐chain length of the alkyl groups, especially for those connected with the oxygen atom in ester groups, has significant effects on CO <jats:sub>2</jats:sub> absorption capability. Moreover, the methyl acetate with the shorter carbon‐chain length shows the highest CO <jats:sub>2</jats:sub> solubility, indicating it as a potential candidate toward efficient CO <jats:sub>2</jats:sub> capture.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"110 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056272","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}
Binghui Fan, Youliang Wang, Xingtao Qi, Hai Zhang, Fan Wang, Ze Zhang, ZhenYu Yang
The strategic selection of electrolytes critically governs charge storage behavior in supercapacitors, with ionic liquid mixtures demonstrating particular promise for achieving high energy densities. This study pioneers a heterosized ion synergy approach, where rationally paired large/small anions dynamically adapt to hierarchical carbon pore architectures in the micropores region, compressing free volume through dense ion packing. This confinement effect critically restricts ionic degrees of freedom, enhancing adsorption stability at electrode interfaces. The heterosized ion‐pore structure matching system achieves significantly enhanced energy density, remarkably suppressed self‐discharge kinetics, and maintains robust capacitance retention across a wide temperature range (−20 to 80°C), establishing a new electrolyte design principle for high‐stability energy storage under thermal extremes.
{"title":"Tailoring heterosized‐ion coupled electrolytes for enhanced pore compatibility in wide‐temperature supercapacitors","authors":"Binghui Fan, Youliang Wang, Xingtao Qi, Hai Zhang, Fan Wang, Ze Zhang, ZhenYu Yang","doi":"10.1002/aic.70266","DOIUrl":"https://doi.org/10.1002/aic.70266","url":null,"abstract":"The strategic selection of electrolytes critically governs charge storage behavior in supercapacitors, with ionic liquid mixtures demonstrating particular promise for achieving high energy densities. This study pioneers a heterosized ion synergy approach, where rationally paired large/small anions dynamically adapt to hierarchical carbon pore architectures in the micropores region, compressing free volume through dense ion packing. This confinement effect critically restricts ionic degrees of freedom, enhancing adsorption stability at electrode interfaces. The heterosized ion‐pore structure matching system achieves significantly enhanced energy density, remarkably suppressed self‐discharge kinetics, and maintains robust capacitance retention across a wide temperature range (−20 to 80°C), establishing a new electrolyte design principle for high‐stability energy storage under thermal extremes.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"44 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056001","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}
Gul Hameed, Tao Chen, Antonio del Rio Chanona, Lorenz T. Biegler, Michael Short
Optimizing industrial processes often involves gray‐box models that couple algebraic glass‐box equations with black‐box components lacking analytic derivatives. Such systems challenge derivative‐based solvers. The classical trust‐region filter (TRF) algorithm provides a robust framework but requires extensive parameter tuning and numerous black‐box evaluations. This work introduces four Hessian‐informed TRF variants that use projected positive definite Hessians for automatic step scaling and minimal tuning, combined with both low‐fidelity (linear, quadratic) and high‐fidelity (Taylor series, Gaussian process) surrogates for local black‐box approximation. Tested on 25 gray‐box benchmarks and five engineering case studies, the new variants achieved up to order‐of‐magnitude reductions in iterations and black‐box evaluations, with reduced sensitivity to tuning parameters relative to the classical TRF algorithm. High‐fidelity surrogates solved 92%–100% of problems, compared with 72%–84% for low‐fidelity surrogates. The developed TRF methods also outperformed classical derivative‐free optimization solvers. Results show that new variants offer robust, scalable alternatives for gray‐box optimization.
{"title":"Trust‐region filter algorithms utilizing Hessian information for gray‐box optimization","authors":"Gul Hameed, Tao Chen, Antonio del Rio Chanona, Lorenz T. Biegler, Michael Short","doi":"10.1002/aic.70236","DOIUrl":"https://doi.org/10.1002/aic.70236","url":null,"abstract":"Optimizing industrial processes often involves gray‐box models that couple algebraic glass‐box equations with black‐box components lacking analytic derivatives. Such systems challenge derivative‐based solvers. The classical trust‐region filter (TRF) algorithm provides a robust framework but requires extensive parameter tuning and numerous black‐box evaluations. This work introduces four Hessian‐informed TRF variants that use projected positive definite Hessians for automatic step scaling and minimal tuning, combined with both low‐fidelity (linear, quadratic) and high‐fidelity (Taylor series, Gaussian process) surrogates for local black‐box approximation. Tested on 25 gray‐box benchmarks and five engineering case studies, the new variants achieved up to order‐of‐magnitude reductions in iterations and black‐box evaluations, with reduced sensitivity to tuning parameters relative to the classical TRF algorithm. High‐fidelity surrogates solved 92%–100% of problems, compared with 72%–84% for low‐fidelity surrogates. The developed TRF methods also outperformed classical derivative‐free optimization solvers. Results show that new variants offer robust, scalable alternatives for gray‐box optimization.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"78 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146056005","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}
Zhuojun Jiang, Chengfan Wu, Boren Tan, Yifan Zhang, Benzheng Xia, Zidan Zhang, Liangrong Yang, Zheng Li
The BF3-based chemical distillation method remains the only industrialized boron isotope separation technique currently in use worldwide. However, this process suffers from some drawbacks, including high corrosiveness, demanding process control, and poor overall economic viability. In contrast, the present study employs a boric acid-based solvent extraction system to achieve boron isotope separation via a multistage countercurrent extraction process. Specifically, a 20-stage setup successfully increased the natural abundance of 11B from 80.00% to over 81.73%, clearly demonstrating the feasibility of this approach for boron isotope enrichment. Notably, this work represents the first successful experimental demonstration of multistage countercurrent extraction applied to boron isotope separation, offering a promising alternative to conventional industrial methods.
{"title":"Boron isotope enrichment by countercurrent solvent extraction of boric acid","authors":"Zhuojun Jiang, Chengfan Wu, Boren Tan, Yifan Zhang, Benzheng Xia, Zidan Zhang, Liangrong Yang, Zheng Li","doi":"10.1002/aic.70253","DOIUrl":"https://doi.org/10.1002/aic.70253","url":null,"abstract":"The BF<sub>3</sub>-based chemical distillation method remains the only industrialized boron isotope separation technique currently in use worldwide. However, this process suffers from some drawbacks, including high corrosiveness, demanding process control, and poor overall economic viability. In contrast, the present study employs a boric acid-based solvent extraction system to achieve boron isotope separation via a multistage countercurrent extraction process. Specifically, a 20-stage setup successfully increased the natural abundance of <sup>11</sup>B from 80.00% to over 81.73%, clearly demonstrating the feasibility of this approach for boron isotope enrichment. Notably, this work represents the first successful experimental demonstration of multistage countercurrent extraction applied to boron isotope separation, offering a promising alternative to conventional industrial methods.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"21 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146044753","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}
Chuang Qi, Jiahui He, Pan Hu, ZhenYang Dong, Kai Li, Lihao Liu, Yuhang Wang, Ruiyang Liang, Yongyong Cao, Xing Zhong, Jianguo Wang
Paired electrosynthesis enables simultaneous electrocatalytic oxidation (ECO) and hydrogenation (ECH) of cinnamyl alcohol. However, the pH-asymmetric configuration between alkaline ECO and acidic ECH limits integration. Herein, a bipolar-membrane (BPM) electrolyzer was constructed using Ni-loaded porous carbon nanobowls graphite felt (Ni/PCBs/GF) and Pd-loaded PCBs (Pd/PCBs/GF) to perform ECO and ECH in their respective optimal environments. The hollow PCB structure improves mass transport and active-site exposure, enhancing catalytic activity. The Ni/PCBs/GF achieved a cinnamaldehyde yield of 98.0%, while Pd/PCBs/GF attained 99.0% selectivity toward 3-phenylpropanol. In situ spectroscopy and DFT indicated Ni heterointerface reconstruction that promotes (4-acetamido-2,2,6,6-tetramethylpiperidin-1-oxyl) ACT adsorption and electron–hole mediation, and Pd electronic redistribution that activates Pd sites for CC hydrogenation. The scaled-up BPM electrolyzer reached space–time yields of 12.79 and 7.02 kg·m−3·h−1 at the alkaline anode and acidic cathode, demonstrating effective co-production under disparate conditions. This study advances paired electrosynthesis by harmonizing anodic–cathodic conditions, enabling energy-efficient co-production of value-added chemicals.
{"title":"Continuous flow pH-asymmetric paired electrosynthesis enabled by bipolar membrane electrolyzer","authors":"Chuang Qi, Jiahui He, Pan Hu, ZhenYang Dong, Kai Li, Lihao Liu, Yuhang Wang, Ruiyang Liang, Yongyong Cao, Xing Zhong, Jianguo Wang","doi":"10.1002/aic.70259","DOIUrl":"https://doi.org/10.1002/aic.70259","url":null,"abstract":"Paired electrosynthesis enables simultaneous electrocatalytic oxidation (ECO) and hydrogenation (ECH) of cinnamyl alcohol. However, the pH-asymmetric configuration between alkaline ECO and acidic ECH limits integration. Herein, a bipolar-membrane (BPM) electrolyzer was constructed using Ni-loaded porous carbon nanobowls graphite felt (Ni/PCBs/GF) and Pd-loaded PCBs (Pd/PCBs/GF) to perform ECO and ECH in their respective optimal environments. The hollow PCB structure improves mass transport and active-site exposure, enhancing catalytic activity. The Ni/PCBs/GF achieved a cinnamaldehyde yield of 98.0%, while Pd/PCBs/GF attained 99.0% selectivity toward 3-phenylpropanol. <i>In situ</i> spectroscopy and DFT indicated Ni heterointerface reconstruction that promotes (4-acetamido-2,2,6,6-tetramethylpiperidin-1-oxyl) ACT adsorption and electron–hole mediation, and Pd electronic redistribution that activates Pd sites for CC hydrogenation. The scaled-up BPM electrolyzer reached space–time yields of 12.79 and 7.02 kg·m<sup>−3</sup>·h<sup>−1</sup> at the alkaline anode and acidic cathode, demonstrating effective co-production under disparate conditions. This study advances paired electrosynthesis by harmonizing anodic–cathodic conditions, enabling energy-efficient co-production of value-added chemicals.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"65 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2026-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146044754","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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