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

Simultaneous Removal of SOx and NOx Using a High-Gravity Reactor 利用高重力反应器同时去除SOx和NOx

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-10 DOI: 10.1021/acs.iecr.5c02843

Ramesh Chander Mehta, Srikanth Kutla

{"title":"Simultaneous Removal of SOx and NOx Using a High-Gravity Reactor","authors":"Ramesh Chander Mehta, Srikanth Kutla","doi":"10.1021/acs.iecr.5c02843","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02843","url":null,"abstract":"In an era where urbanization and industrialization are on the rise, the consequences of air pollution have become increasingly prevalent and concerning. The air we breathe, once considered to be a limitless resource, is now laden with pollutants that pose significant risks to human health. The main sources of air pollutants include sulfur oxides (SOx), nitrogen oxides (NOx), and particulate matter (PM), which are all extremely harmful to the environment and human health and emerge from industrial operations and automobile emissions. Although there are traditional cleanup methods, HiGee technology provides more effective pollutant capture. Flue gases from a coal-based power station were treated in this study using a high-gravity reactor installed with variable porosity packing. Under various operating conditions, such as rotor speed (rpm), caustic dosing rate, and gas–liquid flow rates, a caustic solution functioned as the absorbent medium. High centrifugal forces and better gas–liquid contact allowed for enhanced mass transfer, which was responsible for the results’ near-complete elimination of SOx and NOx. Furthermore, substantial PM reduction and selective absorption were achieved, highlighting the potential of HiGee Technology in flue gas treatment.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"18 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261411","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

Hybrids Y2SiO5:Pr3+, Nd3+/g-C3N4 Efficiently Generated H2O2 in Achieving Conversion from Visible to Ultraviolet Light Y2SiO5:Pr3+， Nd3+/g-C3N4杂化物高效生成H2O2实现可见光到紫外光的转化

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-10 DOI: 10.1021/acs.iecr.5c03420

Jiaxian Liang, Dan Luo, Jie Wang, Xiaoyuan Zhou, Hongli Wei, Meng Liu, Changjun Liu, Wei Jiang

{"title":"Hybrids Y2SiO5:Pr3+, Nd3+/g-C3N4 Efficiently Generated H2O2 in Achieving Conversion from Visible to Ultraviolet Light","authors":"Jiaxian Liang, Dan Luo, Jie Wang, Xiaoyuan Zhou, Hongli Wei, Meng Liu, Changjun Liu, Wei Jiang","doi":"10.1021/acs.iecr.5c03420","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03420","url":null,"abstract":"To enhance the spectral utilization range for synthesizing H2O2, up-conversion (UC) materials Y2SiO5: Pr3+, Nd3+ (PNY), and g-C3N4 (CN) were successfully combined through a simple thermal treatment method. The evaluation experiment indicates that the optimal ratio of PNY to CN for the composite is 5%. When the catalyst dosage was 1 mg and the ethanol (EtOH) volume was 10 mL, the production rate of H2O2 was the highest, reaching 57.18 mmol·g–1·h–1. The reaction pathway for synthesizing H2O2 is attributed to the oxygen reduction reaction (ORR) rather than the water oxidation reaction (WOR). Under 635 nm wavelength excitation, 5%-PNY/CN composites showed emission peaks at 275, 280, 347, and 492 nm, corresponding to 4f5d→3H4,5,6, 4f5d→3F2,3, 4f5d→3F3,4, and 3P0→3H4 transitions of activator Pr3+, respectively. This confirms the successful conversion of visible (vis)–ultraviolet (UV) light, and the up-conversion quantum yield (UCQY) of 5%-PNY/CN reaches 3.07%. Correspondingly, the production of H2O2 under vis light reached the level of UV light, indicating that the conversion from vis to UV light is effective in increasing the production of H2O2. Finally, a possible photocatalytic cooperative UC photoreaction mechanism was proposed. This presents a novel strategy for the design of innovative photocatalysts.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"43 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255562","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

Highly Selective Molecular-Sieving Membranes by Interfacial Polymerization for H2 Purification 界面聚合高选择性分子筛膜提纯氢气

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-08 DOI: 10.1021/acs.iecr.5c02797

Chenhao Yao, Rebecca Lee, Amal Rajan Sheena, Subhadeep Dasgupta, Harekrushna Behera, Prabal K. Maiti, Benny D. Freeman, Manish Kumar

{"title":"Highly Selective Molecular-Sieving Membranes by Interfacial Polymerization for H2 Purification","authors":"Chenhao Yao, Rebecca Lee, Amal Rajan Sheena, Subhadeep Dasgupta, Harekrushna Behera, Prabal K. Maiti, Benny D. Freeman, Manish Kumar","doi":"10.1021/acs.iecr.5c02797","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02797","url":null,"abstract":"Hydrogen purification is challenging due to the high energy consumption of current state-of-the-art pressure swing adsorption and cryogenic partial-condensation processes. Membrane separations have the potential to substantially reduce the energy and operational costs of this process. In this study, molecular-sieving polyamide TFC membranes with outstanding H2 selectivities were fabricated via a simple interfacial polymerization process with a variety of different monomers. These membranes showed a greatly improved degree of cross-linking and exhibited pure-gas H2/N2 and H2/CO2 selectivities of up to 507 and 80, with a H2 permeability/permeance of 26 Barrer/10 GPU at 35 °C, demonstrating significantly higher selectivity than most polymeric membranes. The high gas permeabilities observed are explained theoretically by using extensive all-atom molecular dynamics simulations, followed by grand canonical Monte Carlo and trajectory extending kinetic Monte Carlo simulations. The simple and inexpensive membrane fabrication process and its outstanding selectivity performance show progress of these membranes toward large-scale and cost-effective hydrogen purification.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"86 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241593","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

Effect of Atmosphere-Controlled Pressurized Steaming on the Structure and Cracking Performance of As-Prepared LaY Zeolite 常压加压蒸煮对制备层状沸石结构及裂解性能的影响

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-08 DOI: 10.1021/acs.iecr.5c03606

Chengqiang Wang, Enhui Xing, Yibin Luo, Ying Ouyang, Xingtian Shu, Xiuzhi Gao

{"title":"Effect of Atmosphere-Controlled Pressurized Steaming on the Structure and Cracking Performance of As-Prepared LaY Zeolite","authors":"Chengqiang Wang, Enhui Xing, Yibin Luo, Ying Ouyang, Xingtian Shu, Xiuzhi Gao","doi":"10.1021/acs.iecr.5c03606","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03606","url":null,"abstract":"This study focuses on exploring the impact of atmosphere-controlled pressurized steaming (at 500 °C and 0.3 MPa) on the structure and catalytic performance of LaY zeolite. A weakly alkaline calcination atmosphere (pH 9.6) is introduced during the pressurized steaming process. This introduction significantly promotes the solid-state migration of La3+ ions from supercages to sodalite cages, resulting in an 18% increase in the I1/I2 ratio. It also enhances the B/L acid ratio by 45% and improves the hydrothermal stability of the zeolite with the crystallinity retention rate rising by 25%. The proposed process achieves a balanced dealumination-desilication mechanism. While maintaining the crystallinity of the zeolite, it generates uniform 3–4 nm intracrystalline mesopores. The mesopore volume accounts for an increasing proportion of the total pore volume, from 5% to 16%. Catalytic evaluation results show that, compared with the atmospheric calcination reference sample, the heavy oil conversion rate increases by 8.8% points, the gasoline yield rises by 8.0% points, and the coke yield is lower. This can be attributed to the mesopores improving the accessibility of reactants and reducing diffusion resistance. This research demonstrates that the atmosphere-controlled pressurized steaming under a weakly alkaline calcination atmosphere is an effective strategy for preparing LaY zeolite with high stability and high activity, which is suitable for heavy oil cracking.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"25 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247586","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

Determination of Water Content For Hydrate Formation in Gas-Dominant Systems Using a Multiphase Flash Algorithm 用多相闪光算法测定气控系统中水合物形成的含水量

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-08 DOI: 10.1021/acs.iecr.5c02578

Marvin Martins dos Santos, Iuri Soter Viana Segtovich, Ingrid Azevedo de Oliveira, Frederico Wanderley Tavares, Adriana Teixeira, Leandro Saraiva Valim, Antonin Chapoy

{"title":"Determination of Water Content For Hydrate Formation in Gas-Dominant Systems Using a Multiphase Flash Algorithm","authors":"Marvin Martins dos Santos, Iuri Soter Viana Segtovich, Ingrid Azevedo de Oliveira, Frederico Wanderley Tavares, Adriana Teixeira, Leandro Saraiva Valim, Antonin Chapoy","doi":"10.1021/acs.iecr.5c02578","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02578","url":null,"abstract":"Accurate prediction of hydrate formation and dissociation in natural gas systems is essential for multiphase flow applications and carbon capture and storage technologies. This work presents a modified simultaneous flash-with-stability formulation to calculate the gas-phase water content under incipient hydrate conditions. Given P, T, and the dry-gas composition, we determine the water content while enforcing βH = 0. Hydrates are modeled with the van der Waals–Platteeuw framework, while the fluid phase is described using PC-SAFT and Modified Peng–Robinson equations of state. The methodology was validated against literature data and new measurements for systems containing CH4, CO2, and C2H6. Results indicate that PC-SAFT provides superior accuracy, particularly in low-moisture regimes. P–T and P–yw maps quantify the effects of composition and humidity. By determining the water content at incipient hydrate within a stability-checked flash, our method reduces numerical issues near phase boundaries and provides a practical tool for risk analysis and offshore system design.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"9 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247531","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

Correction to “Ugropy: An Extensible Python Package for Thermodynamic Model Functional Group Identification via Mathematical Optimization” 修正“Ugropy：一个可扩展的Python包，用于通过数学优化的热力学模型官能团识别”

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-08 DOI: 10.1021/acs.iecr.5c03949

Salvador E. Brandolín, Federico E. Benelli, Ivana Magario, José A. Scilipoti

{"title":"Correction to “Ugropy: An Extensible Python Package for Thermodynamic Model Functional Group Identification via Mathematical Optimization”","authors":"Salvador E. Brandolín, Federico E. Benelli, Ivana Magario, José A. Scilipoti","doi":"10.1021/acs.iecr.5c03949","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03949","url":null,"abstract":"In our recently published article, we compared different group-contribution fragmentation algorithms. After publication, Dr. Müller contacted us to point out that his algorithm performs significantly better when applied as originally recommended in his paper. Here it is described that sorting the groups prior to fragmentation is necessary for the algorithm to work properly. We are grateful for this clarification and provide below the corrected comparison. If this is taken into account giving the sorted groups (Table 5: Müller (sorted)) as input, the algorithm successfully finds the optimal solutions in all cases with execution times significantly lower than the other two packages. For this use case it must be specified on which specific order the fragments must be searched within the molecule to fragment. On the one hand, this is additional information that is required to understand the correct sorting criteria of each specific fragmentation model, which could be a barrier for new users or developers of new models. On the other hand, it allows for model developers to specify much more precisely which groups are to be prioritized before others. Under this new perspective, the results of the comparison of the three algorithms are summarized in Table 1. The results show that the Müller algorithm with sorted groups substantially improves its performance. When the groups are not sorted, the algorithm fails to find the optimal solution in the majority of the cases and the fragmentation times are slower than if the algorithm is applied as originally intended based on group priorities. Nonoptimal solution. The specific sorting criteria recommended by Müller for the UNIFAC model is the following:<img alt=\"\" src=\"/cms/10.1021/acs.iecr.5c03949/asset/images/medium/ie5c03949_0002.gif\"/> This article has not yet been cited by other publications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"1 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241598","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

Correction to “Pore Size Tailoring of Nickel Porous Hollow Fiber Membrane by Adjusting Redox Conditions” 对“通过调节氧化还原条件调整镍多孔中空纤维膜孔径”的修正

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-08 DOI: 10.1021/acs.iecr.5c03895

Tongling Liu, Zhifei Hu, Jianfeng Sun, Yun Zhang, Mingming Wang, Wei Zhu, Jianguang Li, Zhigang Wang, Xiaoyao Tan

引用次数: 0

Modified Carbon Fibers with Polyolefins Based on Surface Chain-Transfer Ring-Opening Metathesis Polymerization and Their Reinforced Polypropylene Composites 基于表面链转移开环复聚的聚烯烃改性碳纤维及其增强聚丙烯复合材料

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-08 DOI: 10.1021/acs.iecr.5c03176

Xinting Wu, Baojun Li, Dingfeng Kong, Zhendong Liu, Gangsheng Tong, Xinyuan Zhu

引用次数: 0

In Situ Synthesis and Long-Term Corrosion Inhibition Performance of GO-PANI@ZP Composite GO-PANI@ZP复合材料的原位合成及长期缓蚀性能

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-08 DOI: 10.1021/acs.iecr.5c03007

Zhou-Tao Feng, Yuan Ma, Jing-Jing Tian, Hui-Ping Sun, Jin-Ku Liu

{"title":"In Situ Synthesis and Long-Term Corrosion Inhibition Performance of GO-PANI@ZP Composite","authors":"Zhou-Tao Feng, Yuan Ma, Jing-Jing Tian, Hui-Ping Sun, Jin-Ku Liu","doi":"10.1021/acs.iecr.5c03007","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03007","url":null,"abstract":"This study successfully synthesized a graphene oxide-polyaniline@zinc phosphate (GO-PANI@ZP) composite through in situ polymerization and stepwise ion introduction. Using graphene oxide (GO) as the substrate, the sequential deposition of polyaniline (PANI) and zinc phosphate (ZP) mitigates the hydrophilicity and reduces interlayer agglomeration. The lamellar structure provides a physical barrier that extends corrosive media penetration pathways. PANI contributes redox reversibility to dynamically regulate charge transfer, facilitating the formation of an electrochemical protective layer. Protonated PANI responds to corrosion reactions and releases corrosion inhibitors. Additionally, the composite exhibits a microcapacitor effect, establishing a stable charge barrier at the coating-substrate interface that impedes corrosive species penetration. After 168 h of immersion in 3.5 wt % NaCl solution, the composite coating demonstrated a total impedance value 4.56 times that of epoxy resin, revealing exceptional corrosion resistance. This work provides a novel design strategy for developing organic–inorganic composite anticorrosion materials.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"21 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241594","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

Understanding Olefin Solubility in Polyethylene from a Molecular Dynamics Simulation Perspective 从分子动力学模拟的角度理解烯烃在聚乙烯中的溶解度

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2025-10-07 DOI: 10.1021/acs.iecr.5c02480

Sajjad Kavyani, Arash Alizadeh, Joao B. P. Soares

{"title":"Understanding Olefin Solubility in Polyethylene from a Molecular Dynamics Simulation Perspective","authors":"Sajjad Kavyani, Arash Alizadeh, Joao B. P. Soares","doi":"10.1021/acs.iecr.5c02480","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02480","url":null,"abstract":"We investigated the sorption mechanisms of ethylene (ETH) and 1-hexene (HEX) in polyethylene (PE) using molecular dynamics (MD) simulations at 80 °C and various pressures. The simulations revealed that ETH molecules can hinder HEX-PE interactions, reducing HEX clustering with PE chains. This may explain the experimentally observed antisolvent effect of ETH on HEX. Conversely, HEX can enhance the sorption of ETH by acting as carriers, facilitating ETH interactions with PE chain ends. This cosolubility effect was captured by introducing a correction term, Sindirect, which accounts for ETH molecules that interact indirectly with PE via HEX. Total ETH solubility is thus expressed as SETH = Sdirect + γSindirect, where Sdirect corresponds to ETH directly interacting with PE and γ represents the contribution from ETH molecules interacting simultaneously with HEX and PE. Our findings demonstrate that MD offer powerful insights into the molecular-level mechanisms governing sorption in complex, multicomponent systems, such as those encountered in polyolefin reactors.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"30 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145235210","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