Industrial & Engineering Chemistry Research最新文献_第2页

Elucidating High-Efficiency Guidance Design and Performance Optimization of Pt-Based Catalysts for Propane Dehydrogenation

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-19 DOI: 10.1021/acs.iecr.4c03760

Haijuan Zhang, Xilin Piao, Xiangyue Zhang, Haotian Chi

{"title":"Elucidating High-Efficiency Guidance Design and Performance Optimization of Pt-Based Catalysts for Propane Dehydrogenation","authors":"Haijuan Zhang, Xilin Piao, Xiangyue Zhang, Haotian Chi","doi":"10.1021/acs.iecr.4c03760","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03760","url":null,"abstract":"Maintaining high dispersion of Pt in catalysts remains a significant challenge due to Pt migration and aggregation. Addressing this gap is critical for advancing the design of catalysts with enhanced performance and stability, particularly in applications requiring strong metal–support interactions. Here, we introduce a novel catalyst preparation method that employs an ethylenediaminetetraacetic acid disodium salt (EDTA) as a directing agent to stabilize Pt on an Al2O3 support promoted by Sn. Leveraging the ability of EDTA to selectively bind Pt and Sn, we synthesized a highly dispersed Pt–Sn–Al2O3 dehydrogenation catalyst. First-principles calculations based on density functional theory confirmed that the carbonyl and hydroxyl oxygen atoms in EDTA preferentially bond with Sn in the Al2O3 support, facilitating precise Pt anchoring. Experimental results further validated these findings, showing that EDTA-guided synthesis enhanced the formation of Pt–Sn–Al2O3 active sites and led to stronger metal–support interactions, resulting in uniform Pt particle distribution and improved catalyst stability. This approach not only increased propylene selectivity from about 85% to 93% but also significantly reduced methane byproduct formation. These findings demonstrate that the introduction of EDTA as a directing agent can effectively address Pt aggregation issues, offering a promising strategy for designing more efficient and stable catalysts for industrial dehydrogenation processes.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"25 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857663","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}

引用次数: 0

Generalized Global Self-Optimizing Control for Chemical Processes: Part II Objective-Guided Controlled Variable Learning Approach

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-19 DOI: 10.1021/acs.iecr.4c02644

Chenchen Zhou, Hongxin Su, Xinhui Tang, Yi Cao, Shuang-Hua Yang, Lingjian Ye

{"title":"Generalized Global Self-Optimizing Control for Chemical Processes: Part II Objective-Guided Controlled Variable Learning Approach","authors":"Chenchen Zhou, Hongxin Su, Xinhui Tang, Yi Cao, Shuang-Hua Yang, Lingjian Ye","doi":"10.1021/acs.iecr.4c02644","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02644","url":null,"abstract":"Self-optimizing control (SOC) aims to maintain near-optimal process operation by judiciously selecting controlled variables (CVs). In this series of work, the generalized global SOC (g2SOC) approach is proposed, which extends the concept of SOC to the whole operation space and uses general nonlinear functions to design CVs instead of linear combinations. In the first part of this series work, two numerical approaches for g2SOC are proposed: the optimization-based approach and the regression-based approach, based on a theoretical analysis of the existence of perfect self-optimizing CVs. The CVs designed by the former perform better, but are usually infeasible for large-scale problems. In this paper, we propose an algorithm called objective-guided controlled variable learning (OGCVL) that combines the advantages of both and has a better scalability. OGCVL is proposed for efficient CV design that seamlessly integrates symbolic and numerical computation techniques. Finally, the effectiveness of the OGCVL method is verified in two numerical examples. Both examples illustrate show that the OGCVL method is able to achieve good results while maintaining computational efficiency and is also feasible in large-scale problems.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"16 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849639","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}

引用次数: 0

Risk-Averse PID Tuning Based on Scenario Programming and Parallel Bayesian Optimization

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-19 DOI: 10.1021/acs.iecr.4c03050

Qihang He, Qingyuan Liu, Yangyang Liang, Wenxiang Lyu, Dexian Huang, Chao Shang

{"title":"Risk-Averse PID Tuning Based on Scenario Programming and Parallel Bayesian Optimization","authors":"Qihang He, Qingyuan Liu, Yangyang Liang, Wenxiang Lyu, Dexian Huang, Chao Shang","doi":"10.1021/acs.iecr.4c03050","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03050","url":null,"abstract":"The pervasiveness of PID control in process industries stipulates the critical need for efficient autotuning techniques. Recently, the use of Bayesian optimization (BO) has been popularized to seek optimal PID parameters and automate the tuning procedure. To evaluate the overall risk-averse performance of PID controllers, scenario programming that considers a wide range of uncertain scenarios provides a systematic method, but induces extensive simulations and expensive computations. Parallel computing offers a viable method to address this issue, and thus we propose a novel parallel BO algorithm for the risk-averse tuning, which enjoys a higher efficiency in both surrogate modeling and surrogate optimization. For the latter, a multiacquisition-function strategy with diversity promotion is developed to generate widely scattered query points to parallelize experiments efficiently. For the former, a data-efficient stability-aware Gaussian process modeling strategy is designed, obviating the need for building an additional classifier as required by existing methods. Numerical examples and application to a real-world industrial bio-oil processing unit demonstrate that the proposed parallel BO algorithm considerably improves the efficiency of simulation-aided PID tuning and yields practically viable controller parameters under the risk-averse tuning framework.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"54 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849640","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}

引用次数: 0

Machine Learning for Predicting and Optimizing Physicochemical Properties of Deep Eutectic Solvents: Review and Perspectives

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-19 DOI: 10.1021/acs.iecr.4c03610

Francisco Javier López-Flores, César Ramírez-Márquez, J. Betzabe González-Campos, José María Ponce-Ortega

引用次数: 0

Investigation of Molecular Weight Dependency of Hansen Solubility Parameters for Poly(methyl methacrylate) Using Inverse Gas Chromatography

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-19 DOI: 10.1021/acs.iecr.4c03728

Shuichi Nakamoto, Kaira Fujiie, Hideki Yamamoto

引用次数: 0

TiCN-Coated Ti Felt for Enhanced Polymer Electrolyte Membrane Water Electrolysis

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-19 DOI: 10.1021/acs.iecr.4c03205

Tiantian Wang, Song Peng, Li Xu, Bo Chen, Yang Wang

{"title":"TiCN-Coated Ti Felt for Enhanced Polymer Electrolyte Membrane Water Electrolysis","authors":"Tiantian Wang, Song Peng, Li Xu, Bo Chen, Yang Wang","doi":"10.1021/acs.iecr.4c03205","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03205","url":null,"abstract":"The gas diffusion layer (GDL) is an important component in polymer electrolyte membrane water electrolysis (PEM-WE), and Ti felt is often used as the GDL dueto its high stability. However, excessive passivation leads to a high surface contact resistance and energy loss during PEM-WE operation, thus limiting its practical application. In this work, we prepared low-cost TiCN-coated Ti felt GDL by a simple soaking and sintering method for the anode of the PEM-WE and determined a better immersion concentration of 48 g/L for the TiCN suspension. TiCN-coated Ti felt has a lower corrosion current density and a higher corrosion potential (0.37 μA cm–2, 0.54 VRHE), demonstrating better corrosion resistance performance. Compared with the untreated Ti felt, the interface contact resistance of the TiCN-coated Ti felt was significantly reduced to 1.73 mΩ·cm2 at 150 N cm–2, and it only increased to 2.51 mΩ·cm2 after polarization for 100 h, showing improved stability. This provides an economical and efficient method for preventing the passivation of Ti-based GDLs and a new strategy for achieving low-cost large-scale water electrolysis for hydrogen production.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"113 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857661","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}

引用次数: 0

Modified Chitosan Nanofiber Membrane Fabrication for Removal of Pb2+ from Coptidis rhizoma Decoction

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-18 DOI: 10.1021/acs.iecr.4c02261

Yafei Ma, Ruobing Yang, Xinman Liu, Zhiping Fu, Yuexin Guo, Hui Wang, Zhiqian Jia, Chunxue Song

{"title":"Modified Chitosan Nanofiber Membrane Fabrication for Removal of Pb2+ from Coptidis rhizoma Decoction","authors":"Yafei Ma, Ruobing Yang, Xinman Liu, Zhiping Fu, Yuexin Guo, Hui Wang, Zhiqian Jia, Chunxue Song","doi":"10.1021/acs.iecr.4c02261","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02261","url":null,"abstract":"Heavy metals in medicine are easily introduced during production and processing, and heavy metals pose a risk to human health. To realize the separation of heavy metals from medicine and provide a new method for removing heavy metals, in this study, ethylenediaminetetraacetic acid (EDTA) was used to modify chitosan, and the ethylenediaminetetraacetic acid-modified chitosan (CS-EDTA) fiber membrane was prepared through electrospinning to remove lead ions from Coptidis rhizoma decoction. The effects of spinning speed (0.1 mL/h), modification method (2 g Na2EDTA, 0.1 g EDC, 0.2 g NHS), and pH (pH = 5) on the adsorption capacity were studied. The results showed that the adsorption of Pb2+ on the CS-EDTA membrane was pseudo-second-order kinetics model (R2 > 0.999) and the Langmuir model (R2 > 0.978). The kinetic maximum adsorption capacity of the CS-EDTA membrane was 116.2 mg·g–1. The Pb2+ content in C. rhizoma decoction after adsorption meets the limit requirements for heavy metals specified in the traditional Chinese medicine standard (Pb2+ ≤ 5 mg·kg–1). The chemical composition of the decoction of C. rhizoma did not change significantly after the removal of Pb2+. The membrane has antibacterial properties against Gram-negative bacteria.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"12 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142841263","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}

引用次数: 0

In Situ Electrospinning of a Composite Janus Nanofiber Membrane with Antibacterial Activity, UV Radiation Protection, and Directional Liquid Transport Property

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-18 DOI: 10.1021/acs.iecr.4c03445

Jintao Lin, Jia Wang, Xiaolu Han, Xiang Gao, Yi Yang, Zengming Wang, Nan Liu, Weiguo Shi, Tao Zhang, Hui Zhang, Liang Xu, Aiping Zheng

{"title":"In Situ Electrospinning of a Composite Janus Nanofiber Membrane with Antibacterial Activity, UV Radiation Protection, and Directional Liquid Transport Property","authors":"Jintao Lin, Jia Wang, Xiaolu Han, Xiang Gao, Yi Yang, Zengming Wang, Nan Liu, Weiguo Shi, Tao Zhang, Hui Zhang, Liang Xu, Aiping Zheng","doi":"10.1021/acs.iecr.4c03445","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03445","url":null,"abstract":"The treatment of wounds in subtropical coastal areas presents unique environmental challenges. Infection prevention, light-induced damage management, and wound fluid control are crucial considerations for effective wound healing. Herein, this study aimed to fabricate a novel bilayered Janus wound dressing by in situ electrospinning technology, designed to exhibit excellent resistance to UV radiation, robust antibacterial property, and efficient fluid management capability. To realize the directional liquid transport function of Janus bilayer dressing, we selected a poly(vinyl butyral) (PVB) hydrophobic inner layer and a poly(vinyl alcohol) (PVA) hydrophilic outer layer as the base material. Antibacterial drugs were introduced through the PVB layer, with the aim of achieving antibacterial function. SiO2 was introduced through the PVA layer to realize the antiultraviolet radiation effect. By adjusting the amount of drug and SiO2, multifunctional PVB@Amp&PVA@SiO2 composite dressings were systemically optimized with good antibacterial properties (more than 96% against both Escherichia coli and Staphylococcus aureus), excellent resistance to ultraviolet radiation (UPF up to 55.78), and unidirectional exudate exportation of tissue fluid from the wound to the outside world in 4 min. Moreover, the composite dressing had good biocompatibility, including a 95.64% cell survival rate and a 0.0929% hemolysis rate. This study provided a promising new option for antibacterial and ultraviolet radiation protection in subtropical coastal environments with promising applications in outdoor first aid, wound care, and military products.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"23 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849642","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}

引用次数: 0

Acrylate Optically Clear Adhesives with Excellent Oxygen Barrier for Organic Light-Emitting Devices 用于有机发光器件的具有优异阻氧性能的丙烯酸酯光学透明粘合剂

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-18 DOI: 10.1021/acs.iecr.4c03543

Penghui Zhang, Biao Tang, Mengjing Yang, Bo Yang, Yi Shen, Qiuyu Zhang, Zhenguo Liu, Yanhui Chen

{"title":"Acrylate Optically Clear Adhesives with Excellent Oxygen Barrier for Organic Light-Emitting Devices","authors":"Penghui Zhang, Biao Tang, Mengjing Yang, Bo Yang, Yi Shen, Qiuyu Zhang, Zhenguo Liu, Yanhui Chen","doi":"10.1021/acs.iecr.4c03543","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03543","url":null,"abstract":"The organic light-emitting devices (OLEDs) sealed by optically clear adhesives (OCAs) always face the risk of luminescence loss due to the formation of dark spots caused by the oxygen attack, for which the poor oxygen barrier property of the OCAs is responsible. To address this issue, a new type of acrylate-based OCAs matrix was initially synthesized; then the modified boron nitride (mBN) was integrated to create a physical “passive” barrier, and hydroxyl-terminated polybutadiene (HTPB) as an efficient chemical “active” oxygen scavenger was also introduced to prepare acrylate-based OCAs with superior oxygen barrier property. The oxygen permeability coefficient is as low as 4.76 cc·mil·m–2·day–1·0.1 MPa–1, which is 35.61 times lower than that of the unmodified acrylate matrix, due to the synergistic barrier effect of mBN and HTPB. Even after 6 months, the OCAs still maintain a good oxygen barrier performance, with an oxygen permeability coefficient of 103.43 cc·mil·m–2·day–1·0.1 MPa–1. The OCAs also exhibit excellent water barrier performance (11.26 g·mil·m–2·day–1), high light transmittance (>87%), strong peeling force (13.5 N/25 mm), and a remarkable strain recovery ratio (73%). When testing the luminous performance of OLEDs at room temperature, the working time of OLEDs sealed by our OCAs corresponding to a 5% decrease in relative luminous efficiency is extended by 10 h, compared to that of OLEDs sealed by commercial adhesives. Furthermore, when the OLEDs are stored at 85 °C for 7 days, the OLEDs sealed by our OCAs still exhibit luminous performance comparable to that of ones by commercial adhesives. Thus, this work presents a novel approach to prepare OCAs with outstanding comprehensive performance, especially the excellent oxygen barrier property, showing the significant potential for OLEDs sealing.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"23 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142841593","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}

引用次数: 0

Multiplicativity in Solubility Isotherms

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-18 DOI: 10.1021/acs.iecr.4c03215

Seishi Shimizu, Nobuyuki Matubayasi

{"title":"Multiplicativity in Solubility Isotherms","authors":"Seishi Shimizu, Nobuyuki Matubayasi","doi":"10.1021/acs.iecr.4c03215","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03215","url":null,"abstract":"With the help of isotherm equations, how solubility changes with solubilizer concentration (“solubility isotherm”) can reveal the underlying interactions. However, despite their success in elucidating the mechanisms of hydrotropy (via the cooperative (sigmoidal) isotherm) and synergistic solvation (via the quadratic (bell-shaped) isotherm), these simple statistical thermodynamic isotherm equations alone are insufficient for more complex isotherms that combine their features. Here, we show (i) how simple isotherms can be combined via the isotherm multiplicativity rule founded on the excess number relationship (i.e., solubilizer concentration dependence of the solubilizer excess number around a solute) and (ii) how (i) leads to successful modeling of complex solubility isotherms, capturing that cooperative solute–solubilizer association, in turn, induces the exclusion of solubilizers from the already crowded solute’s locality at higher concentrations. Moreover, we will demonstrate that both the cooperative and quadratic solubility isotherms can be derived directly from the excess number relationship, establishing it not only as the basis for the multiplicativity rule but also as the fundamental relationship for simple and complex solubility isotherms.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"23 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142841197","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}

引用次数: 0