Industrial & Engineering Chemistry Research最新文献_第5页

Polymer-Based Hard Carbons with Enhanced Initial Coulombic Efficiency for Practical Sodium Storage

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.4c04483

Zhao Chen, Yue Zhou, Zhen-Yang Lu, Zi-Qiang Zeng, Zhuo Li, Zi-Yi Chi, Yong Yan, Cheng-Wei Liu, Wen-De Xiao

{"title":"Polymer-Based Hard Carbons with Enhanced Initial Coulombic Efficiency for Practical Sodium Storage","authors":"Zhao Chen, Yue Zhou, Zhen-Yang Lu, Zi-Qiang Zeng, Zhuo Li, Zi-Yi Chi, Yong Yan, Cheng-Wei Liu, Wen-De Xiao","doi":"10.1021/acs.iecr.4c04483","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04483","url":null,"abstract":"Hard carbon (HC) is a cost-effective, chemically stable material which is deemed as the most promising anode material for sodium-ion batteries (SIBs). However, its practical application is severely limited by the poor initial Coulombic efficiency, long-term cycling stability, and scale production difficulty. Here, we developed a sodium involved process for preparing low-cost polymer-based hard carbon microspheres (HCMSs) with controllable morphology and properties. First, phenolics were dissolved in water with the assistance of sodium hydroxide by forming a sodium salt solution, and PF microspheres with adjustable sodium contents and sizes were gathered by a spray drying method. Then, sodium elements were removed during the carbonization process, which led to HCMSs with low surface area, abundant defect sites, and controllable interlayer spacing. Benefiting from the sodium involved process, the HCMS-1400-40 sample exhibits a high reversible specific capacity of 326.1 mAh/g in SIBs and remarkable initial Coulombic efficiency of 91.8%. Besides, the HCMS-1400-40 sample demonstrates excellent stability at large current of 1 C and retained 95.7% of its initial capacity even after 6000 cycles.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"30 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713492","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

Variable-Range PC-SAFT Parametrization for Accurate Modeling of Caloric Properties, Critical Temperature, and Critical Pressure: Normal Alkanes and Hydrogen

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.5c00251

Fufang Yang, Agílio A. H. Pádua

{"title":"Variable-Range PC-SAFT Parametrization for Accurate Modeling of Caloric Properties, Critical Temperature, and Critical Pressure: Normal Alkanes and Hydrogen","authors":"Fufang Yang, Agílio A. H. Pádua","doi":"10.1021/acs.iecr.5c00251","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00251","url":null,"abstract":"A variable-range parametrization approach is proposed for PC-SAFT, and tested on hydrocarbons, hydrogen, and their mixtures. The soft-repulsion range parameter, which is usually set to 0.12, is relaxed, introducing one additional adjustable parameter. This modification provides powerful flexibility, improving accuracy for caloric properties, critical temperature (Tc), and critical pressure (pc). For hydrocarbons, this approach significantly improves accuracy for speed of sound, Tc, and pc, while maintaining accuracy for other properties. For hydrocarbon mixtures, the model demonstrates predictive capabilities for vapor–liquid equilibria (VLE) without any binary interaction parameters. For hydrogen, this approach significantly improves accuracy for vapor pressure, saturated liquid density, Tc, and pc, although it does not improve results for caloric properties like for hydrocarbons. The hydrogen parameters are determined based on pure hydrogen properties and (hydrogen + methane) VLE. The approach demonstrates good predictive capabilities for mixture VLE when extended to other temperature and other (hydrogen + alkane) mixtures.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"57 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713496","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

Numerical Study of Self-Diffusion Coefficients for H2, O2, CO, and CH4 in Transcritical CO2 with Molecular Dynamics Simulation

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.4c04399

Tongjia Zhang, Bowei Zhang, Jie Zhang, Hui Jin

{"title":"Numerical Study of Self-Diffusion Coefficients for H2, O2, CO, and CH4 in Transcritical CO2 with Molecular Dynamics Simulation","authors":"Tongjia Zhang, Bowei Zhang, Jie Zhang, Hui Jin","doi":"10.1021/acs.iecr.4c04399","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04399","url":null,"abstract":"During the CO2 fracturing process, the primary gases involved include O2, CO, CO2, and CH4. However, data on the self-diffusion coefficients of gases in transcritical CO2 are scarce, and empirical equations specifically proposed for the diffusion of small-molecule gas in transcritical CO2 are lacking. In this work, molecular dynamics simulations were used to calculate the self-diffusion coefficient of gases solute (H2, O2, CO, CH4) in transcritical CO2 at temperatures ranging from 280 to 310 K and a pressure of 75 atm. The results indicated that the temperature, density, and viscosity are the main factors affecting the self-diffusion coefficients of gas solutes. Moreover, an Arrhenius relationship was observed between the diffusion coefficients and the temperature. Therefore, we derived new parameters for an empirical equation to calculate the diffusion coefficients in transcritical CO2, achieving a mean relative error of 5.71%. Subsequently, we compared the derived equation with eight commonly used empirical equations, finding that the new equation is well-suited for calculating the self-diffusion coefficients under transcritical conditions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"1 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143702994","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

Preparation and Study of Fluorosilyl Methacrylate Polymer Emulsion and Modified Coating Based on Perfluorinated Branched Short Chains

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.5c00393

Shiyi Liu, Hao Hu, Min Sha, Ding Zhang, Biao Jiang

{"title":"Preparation and Study of Fluorosilyl Methacrylate Polymer Emulsion and Modified Coating Based on Perfluorinated Branched Short Chains","authors":"Shiyi Liu, Hao Hu, Min Sha, Ding Zhang, Biao Jiang","doi":"10.1021/acs.iecr.5c00393","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00393","url":null,"abstract":"Fluorinated methacrylate polymers have been widely applied in the coating field due to their low surface energy, high thermal stability, and high chemical stability. However, traditional fluorinated methacrylate polymers contain environmentally unfriendly long fluorocarbon chain groups. These polymers are extremely difficult to degrade and can easily cause harm to the environment and human health. For this purpose, this paper took fluorinated methacrylate containing perfluorinated branched short chains as the main fluorinated monomer to obtain the polymer emulsions PFSA and their corresponding coating. Then, the emulsions were modified with silica sol to construct the PFSA4/SiO2-modified coating. The structures of the emulsion and the micelle state were characterized. The surface morphology, surface chemical composition, wetting performance, acid and alkali resistance, and self-cleaning performance of the constructed coating were studied. The results showed that PFSA had high hydrophobicity, with its water contact angle (WCA) value ranging from 95.2° to 119.3°. After modification with silica sol, the contact angle increased, being greater than 150°, with the highest reaching 158.4°, achieving a superhydrophobic state. And the PFSA4/SiO2-modified coatings possessed high acid and alkali resistance, as well as self-cleaning properties.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"56 22 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143702996","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

Rare-Earth Metal Modified Co-Based Catalysts for Highly Selective Hydrogenation of Furfural to 1,5-Pentanediol

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.4c04382

Yongjia Liang, Jianliang Zuo, Zhaohao Cai, Weican Huang, Jing Lin, Zili Liu

{"title":"Rare-Earth Metal Modified Co-Based Catalysts for Highly Selective Hydrogenation of Furfural to 1,5-Pentanediol","authors":"Yongjia Liang, Jianliang Zuo, Zhaohao Cai, Weican Huang, Jing Lin, Zili Liu","doi":"10.1021/acs.iecr.4c04382","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04382","url":null,"abstract":"The ability to effectively control furan ring opening is the key to transforming furfural into 1,5-pentanediol. Herein, a series of Co-based catalysts modified with rare-earth metals (Y, Pr, La, and Ce) were synthesized. It was found that Y-modified Co-based catalyst with a Co/Y molar ratio of 3.5/0.5 exhibited the highest selectivity for 1,5-pentanediol (53.7%) at 150 °C and 4 MPa H2 in isopropanol (time = 5 h). Coordination between Co and Y in the catalyst resulted in more CoOx and oxygen vacancies, which are vital factors for cleaving the C–O bond of the furan ring. In addition, highly dispersed small-sized Co0 particles on the catalyst surface could boost the dissociation of H2 molecules, which attacked the carbonyl group in the furan ring of furfural to afford 1,5-pentanediol. Density functional theory calculations revealed that the presence of CoOx/Y2O3 oxide interfaces promoted adsorption of furfural (especially via the furan ring) and hydrogenolysis during the hydrogenation process. Modifying a Co-based catalyst with rare-earth metals offers a novel approach for producing 1,5-pentanediol from furfural.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"16 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143703000","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

Suspension Solution Electrospinning for Constructing Co3O4/CeO2 Interfaces to Boost Styrene Oxidation

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.5c00206

Yidian Lin, Xin Wang, Wenxin Lan, Yinye Chen, Kui Niu, Jiachang Zuo, Muping Shen, Hongjun Jin, Lingxing Zeng, Qijun Zhang, Yongjin Luo, Qingrong Qian, Qinghua Chen

{"title":"Suspension Solution Electrospinning for Constructing Co3O4/CeO2 Interfaces to Boost Styrene Oxidation","authors":"Yidian Lin, Xin Wang, Wenxin Lan, Yinye Chen, Kui Niu, Jiachang Zuo, Muping Shen, Hongjun Jin, Lingxing Zeng, Qijun Zhang, Yongjin Luo, Qingrong Qian, Qinghua Chen","doi":"10.1021/acs.iecr.5c00206","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00206","url":null,"abstract":"Styrene, as a typical volatile organic compound (VOC), is widely present in the production of thermoplastic plastics. Constructing synergistic active sites that promote the cleavage of the benzene ring and C═C double bond is an effective approach for the catalytic combustion of styrene. However, the challenge remains how to construct efficient interfaces while preventing the phase separation of different components. Here, we employed a suspension solution electrospinning strategy to prepare catalysts with varying CeO2/Co3O4 interface content. The 1Co@Si-9Ce catalyst achieved 50% and 90% styrene conversion at 272 and 318 °C, respectively, along with excellent hydrothermal stability. X-ray absorption fine structure spectra and cyclic voltammetry curves revealed that the CeO2/Co3O4 interface altered the local electronic environment. Density functional theory calculations further confirmed that the CeO2/Co3O4 interface facilitates lattice oxygen activation, thereby accelerating the oxidation of the intermediate species benzaldehyde to maleic. This study provides an alternative strategy for preparing interface-enhanced transition-metal oxide catalysts for oxygen species activation and VOC abatement.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"33 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143702993","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

Unique Coordination Structure of Mo Species on MSilicalite-1 Robustly Boosting the Reaction Activity of Oxidative Dehydrogenative Coupling of Alcohols with Aromatic Diamines

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.4c04809

Liqin Wu, Wenqian Fu, Jiteng Liu, Yurun Wang, Lei Zhang, Jialiang Ke, Tiandi Tang

{"title":"Unique Coordination Structure of Mo Species on MSilicalite-1 Robustly Boosting the Reaction Activity of Oxidative Dehydrogenative Coupling of Alcohols with Aromatic Diamines","authors":"Liqin Wu, Wenqian Fu, Jiteng Liu, Yurun Wang, Lei Zhang, Jialiang Ke, Tiandi Tang","doi":"10.1021/acs.iecr.4c04809","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04809","url":null,"abstract":"The synthesized mesoporous pure silica zeolite (MSilicalite-1) had abundant surface silanols that could interact appropriately with the Mo species, which was conducive to promoting the formation of numerous highly active octahedral Mo species in the form of Mo7O246– and Mo8O264– (Mooct.) on MSilicalite-1, robustly boosting the reaction activity with an initial reaction rate of 2.23 mmol·L–1·min–1 in the oxidative dehydrogenative coupling of alcohols with aromatic diamines, as compared to the Mo catalysts supported on MZSM-5 (0.66 mmol·L–1·min–1), γ-Al2O3 (0.28 mmol·L–1·min–1), and SiO2 (0.14 mmol·L–1·min–1). This is because the formed Mooct. species had abundant oxygen-negative anions in the Mo–O–Mo bond, which benefited the chemisorption of benzyl alcohol through the oxygen anions binding to the benzylic carbon or benzylic hydrogen in benzyl alcohol, promoting the oxidation transformation to form a key intermediate of benzaldehyde under the assistance of another reactant of 1,2-diaminobenzene, inducing the formation of the final product benzimidazoles.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"57 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713730","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

Greenhouse Gas Emission Clustering: Advancing Net Zero Goals through Data-Driven Analysis

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.4c04884

Yazmin Trejo-Jerónimo, Francisco Javier López-Flores, César Ramírez-Márquez, Luis Fernando Lira-Barragán, José María Ponce-Ortega

{"title":"Greenhouse Gas Emission Clustering: Advancing Net Zero Goals through Data-Driven Analysis","authors":"Yazmin Trejo-Jerónimo, Francisco Javier López-Flores, César Ramírez-Márquez, Luis Fernando Lira-Barragán, José María Ponce-Ortega","doi":"10.1021/acs.iecr.4c04884","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04884","url":null,"abstract":"This study analyzes greenhouse gas (GHG) emissions (carbon dioxide (CO2), methane (CH4), and nitrous oxide (N2O)) from 108 countries (1990–2020) using k-means clustering with a Dynamic Time Warping (DTW) metric, identifying high, medium, and low emission clusters based on total and per capita emissions. CO2, driven by fossil fuel use in energy, industry, and transportation, dominates emissions, with China and the U.S. accounting for 44% globally. Methane from agriculture and fossil fuel extraction disproportionately affects India, Brazil, and Turkmenistan, while N2O, linked to nitrogen-based fertilizers, shows high per capita contributions from Australia, New Zealand, and parts of Africa. Tailored mitigation strategies addressing regional and sector-specific drivers are critical, emphasizing energy transitions, sustainable agriculture, and land-use management. Clustering provides policymakers with a framework for targeted climate action, aligning emission profiles with solutions. Future research should focus on sectoral emissions, real-time monitoring, and mitigation impacts to advance global net-zero goals.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"183 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143702941","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

CFD-DEM Simulation for Filtration Performance of Biomimetic Irregular Fiber Media Inspired by Tennis Shrimp Filter-Feeding

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.5c00510

Jianhua Fan, Jintong Xu, Xiangqin Wang, Kun Yang, Lu Wang, Jinshi Chen

{"title":"CFD-DEM Simulation for Filtration Performance of Biomimetic Irregular Fiber Media Inspired by Tennis Shrimp Filter-Feeding","authors":"Jianhua Fan, Jintong Xu, Xiangqin Wang, Kun Yang, Lu Wang, Jinshi Chen","doi":"10.1021/acs.iecr.5c00510","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00510","url":null,"abstract":"The setae on the chelicerae of tennis shrimp, a kind of filter-feeding organism, exemplify the superiority of the biological filtration mechanism, which inspires the design and optimization of biomimetic fiber filter structure. Inspired by the noncircular cross-sectional characteristics and the arrangement of the filtering setae, we numerically study the effects of the rotation angle, cross-section, and arrangement of the fibers media on the filtration performance using coupled computational fluid dynamic (CFD) and discrete element method (DEM), where CFD is used to deal with the flow field and DEM to calculate the particle phase. The evolution of the capture efficiency and pressure drop of fiber with triangular, oval, and diamond cross sections is also explored. The results show that the fiber with a triangular cross-section and a rotation angle of 60° exhibits a better filtration performance for capturing particles with a size of 2 μm in terms of quality factor. In addition, further analysis of triangular cross-section fiber arrangement with isotropic and anisotropic staggered multifiber model reveals that most of the particles are more easily captured by the first two rows of fibers. In addition, the 3D dendrite structure is gradually formed due to the adhesion between the particles, causing a clogging phenomenon in the filtration process. In general, the filter-feeding mechanism of tennis shrimp seta provides theoretical support and insights for the optimization of the fiber filter, offering potential applications in environment protection and industrial filtration.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"34 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713498","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

Optimization Approach for Hydrogen Infrastructure Planning Under Uncertainty

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-03-26 DOI: 10.1021/acs.iecr.4c04211

Margarita E. Efthymiadou, Vassilis M. Charitopoulos, Lazaros G. Papageorgiou

{"title":"Optimization Approach for Hydrogen Infrastructure Planning Under Uncertainty","authors":"Margarita E. Efthymiadou, Vassilis M. Charitopoulos, Lazaros G. Papageorgiou","doi":"10.1021/acs.iecr.4c04211","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04211","url":null,"abstract":"Toward the Net-Zero goal, deciphering trade-offs in strategic decisions for the role of hydrogen is vital for transitioning to low-carbon energy systems. This work proposes a two-stage stochastic optimization framework to provide insights for infrastructure investments in hydrogen production, storage, transmission, and CO2 capture and storage. The mixed-integer linear programming (MILP) model aims to minimize total system cost with detailed spatiotemporal resolution to meet hydrogen demand in Great Britain. Uncertainty is considered in hydrogen demand, gas, and technology costs, as well as renewables and biomass availability. To address the resulting combinatorial complexity, scenarios are reduced using forward scenario reduction. Optimization results indicate that a combination of autothermal reforming and biomass gasification with carbon capture and storage (CCS) is the most cost-efficient strategy under uncertainty. A what-if analysis explores the impact of water electrolysis penetration on the production mix. The results demonstrate that considering uncertainties provides a risk-averse strategy for decision-making in low-carbon hydrogen pathways.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"93 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143702940","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