Industrial & Engineering Chemistry Research最新文献

Interfacial Modulation Strategy for Constructing a Hydrophobic Surface on Zeolite Template Carbon to Enhance VOCs Removal in High-Humidity Coal Flue Gas

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-23 DOI: 10.1021/acs.iecr.4c03481

Xifeng Zhu, Yuan Liu, Xingliang Ji, Zhaoyang Zhu, Yi Xiao, Tao Wang, Jiawei Wang, Wei-Ping Pan

{"title":"Interfacial Modulation Strategy for Constructing a Hydrophobic Surface on Zeolite Template Carbon to Enhance VOCs Removal in High-Humidity Coal Flue Gas","authors":"Xifeng Zhu, Yuan Liu, Xingliang Ji, Zhaoyang Zhu, Yi Xiao, Tao Wang, Jiawei Wang, Wei-Ping Pan","doi":"10.1021/acs.iecr.4c03481","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03481","url":null,"abstract":"Emissions from coal-fired or biomass power plants are often released under conditions of high-humidity, posing significant challenges to the effectiveness and durability of adsorbents and catalysts. In industrial settings, adsorbents and catalysts are often deactivated due to water presence, which can block active sites and reduce their effectiveness. Traditional hydrophobic modification methods often cover these adsorption sites, thus reducing a material’s adsorption capacity for volatile organic compounds (VOCs). In this study, we propose a mild physical blending method, incorporating hydrophobic polymer poly(divinylbenzene) (PDVB) with zeolite-templated carbon (ZTC), to regulate the local environment of ZTC for capturing VOCs under humid conditions without damaging the chemical structure of ZTC. Numerous characterization results confirm that incorporating PDVB does not affect the structure of ZTC. The hydrophobic modification increased the adsorption capacity of ZTC by 205% at 15% water content, while the water contact angle increased from 48 to 138°. Vinyl and phenyl groups in PDVB facilitated the rapid repulsion of water molecules from the surface. Molecular dynamics simulations indicated that the hydrophobic channels promoted the desorption of water molecules, and the number of escaped water molecules increased by 286%. Additionally, we propose an industrial application model for large-scale gas emissions with low-concentration VOCs under humid conditions, which enables simultaneous adsorption and desorption, thereby enhancing operational efficiency.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"14 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874210","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

Informing Ion-Exchange Membrane Design Targets for Donnan Dialysis-Mediated Lithium Brine Concentration

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-23 DOI: 10.1021/acs.iecr.4c03482

Kristen Abels, Victoria Yang, William A. Tarpeh

{"title":"Informing Ion-Exchange Membrane Design Targets for Donnan Dialysis-Mediated Lithium Brine Concentration","authors":"Kristen Abels, Victoria Yang, William A. Tarpeh","doi":"10.1021/acs.iecr.4c03482","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03482","url":null,"abstract":"We assess the potential of a Donnan dialysis (DD) process for lithium brine concentration and prioritize material design opportunities from a use-informed perspective. Bench-scale batch experiments were used to validate a kinetic process model, achieving lithium concentration factors of 7.6–18.9× and recoveries of 22–74% for varying dilute lithium feed streams and operating conditions. The corresponding process model was used to assess DD performance for continuous pilot-scale concentrations of a representative lithium extraction eluate stream. Model outputs demonstrate that DD achieves comparable lithium concentration and recovery targets with similar or lower membrane area requirements compared to reverse osmosis and electrodialysis processes, respectively. A sensitivity analysis reveals the relative importance of key parameters in ion-exchange membrane design for improving DD performance (water content > charge content ≈ membrane thickness ≈ water permeability). The development of alkaline- and scaling-resistant cation exchange membranes has also been identified as a target material improvement to expand the solution compatibility limits of the DD process.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"32 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874211","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

Catalytic Growth of CdS Nanowires by Microplasma-Prepared Gold Nanoparticles

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-23 DOI: 10.1021/acs.iecr.4c03906

Haotian Hu, Jiaxuan Zhou, Zhikun Miao, Hongfei Zhu, Cong Wang, Liangliang Lin

{"title":"Catalytic Growth of CdS Nanowires by Microplasma-Prepared Gold Nanoparticles","authors":"Haotian Hu, Jiaxuan Zhou, Zhikun Miao, Hongfei Zhu, Cong Wang, Liangliang Lin","doi":"10.1021/acs.iecr.4c03906","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03906","url":null,"abstract":"Integrating semiconductor nanowires with silicon platforms can combine the advantages of both materials to provide new functionality compared with each type of material. However, the direct localized growth of semiconductor nanowires on silicon platforms still remains a challenge. Herein, an atmospheric pressure microplasma jet, based on the integration of microplasma with the 3D printing technique, was applied for the synthesis of gold nanoparticles (AuNPs). The obtained AuNPs were then used as catalysts for the physical vapor deposition (PVD) growth of cadmium sulfide nanowires (CdS NWs). The results showed that AuNPs can be directly fabricated on the surface of silicon wafers in one step without chemical reducing agents. They also demonstrated good catalytic activity in the growth of CdS NWs via a typical vapor–liquid–solid (VLS) mechanism, where CdS NWs of straight sidewalls with a AuNP at their tips were formed. Complementary characterization reveals that CdS NWs possess crystalline structure, with the atomic ratio of Cd/S close to 1:1 stoichiometry. The energy band gap was estimated to be 2.5 eV from the photoluminescence spectrum. In addition, the influence of process parameters like the Au3+ concentration and plasma processing time on the products was studied. Both increase of the Au3+ concentration and plasma processing time led to the formation of high-density AuNPs and CdS NWs. With the rise of the Au3+ concentration, the average diameter of the AuNPs gradually increased from 13.17 nm at 0.02 mM to 17.0 nm at 0.05 mM and finally 20.44 nm at 0.1 mM. This also led to the formation of CdS NWs of large diameters. This work offers a simple, direct, and green way for localized fabrication of metal catalysts on target substrates for the growth of NWs and has unprecedented potential in various fields like catalysis, surface modification, and additive manufacturing.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"125 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874212","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

Novel Predictive Models for the Heat Capacity of Deep Eutectic Solvents Using Coupled Atomic/Group Contributions and Machine Learning Methods

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-23 DOI: 10.1021/acs.iecr.4c03135

Khojasteh Khedri, Ahmadreza Roosta, Reza Haghbakhsh, Sona Raeissi

引用次数: 0

Recent Progress in CO Oxidation over Non-precious-metal Catalysts

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-23 DOI: 10.1021/acs.iecr.4c03393

Meidan Han, Yanjiang Wang, Xuefeng She, Zhuo Zhang, Xiaohai Li, Zehao Guo

{"title":"Recent Progress in CO Oxidation over Non-precious-metal Catalysts","authors":"Meidan Han, Yanjiang Wang, Xuefeng She, Zhuo Zhang, Xiaohai Li, Zehao Guo","doi":"10.1021/acs.iecr.4c03393","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03393","url":null,"abstract":"A robust catalyst for carbon monoxide (CO) oxidation at lower temperature is critical to protecting the environment, improving human quality of life, and saving fuels. Compared with scarce and expensive noble-metal species (such as Au, Pt, Pd, etc.), recent years have seen tremendous efforts to develop non-precious-metal catalysts (NPCs, such as Cu, Mn, Ce, etc.) for wide application in industrial or civil CO oxidations, resulting in a proliferation of newly emerged NPCs and deep understandings of the active sites and catalytic mechanisms. Here, the NPCs with a focus on the synergy effects of multiple elements on the activity of CO oxidation are simply summarized. First, the fundamental mechanisms of CO catalytic oxidation of CO over NPCs are briefly introduced. Next, with nearly 20 elements as classification indexes, the catalytic characteristics, merits, and typical cases of NPCs in the CO catalytic oxidation process are classified and summarized. Meanwhile, in the typical cases, some strategies that are independent of the elements and can significantly improve the catalytic efficiency are also listed, such as nanosized structures, enlarged-surface areas, polycation enhancement, etc. Finaly, the deactivation of NPCs including H2O and SO2 poisoning, carbon deposition (coking), and thermal degradation (sintering), as well as the ways to control deactivation and regeneration, are summarized. This Review exhibits a scientific basis for the potential design of NPCs for CO oxidation.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"31 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874209","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

Enhanced Nanoemulsion Engineering through Continuous Ultrasonication and Integrated Machine Learning Algorithms

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-23 DOI: 10.1021/acs.iecr.4c02489

Diksha Vats, Vimal Kumar

{"title":"Enhanced Nanoemulsion Engineering through Continuous Ultrasonication and Integrated Machine Learning Algorithms","authors":"Diksha Vats, Vimal Kumar","doi":"10.1021/acs.iecr.4c02489","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02489","url":null,"abstract":"Ultrasonic flow reactors of modest size have become increasingly favored by researchers due to their utility as a valuable medium for investigating and regulating the operating mechanism of ultrasound technology. As a result, these reactors are employed for both research and a variety of applications in chemical, biological, and pharmaceutical processes, predominantly on laboratory scales and occasionally on pilot scales. Herein, an ultrasonic continuous-flow cell assembly (UCF) is utilized for the formulation of oil-in-water nanoemulsions (o/w NEs). The setup provides efficient energy input, inducing strong cavitation for effective droplet fragmentation and ensuring continuous o/w NEs production. The emulsification process is optimized by adjusting parameters (amplitude, pulse control mode, processing time, oil-to-surfactant ratio (OSR), and stability) supported by machine learning-based data analysis. At unit OSR, Dz-avg measures 124 nm, compared to 832 nm at OSR 12. At the optimal OSR, NE remains stable for 50 days; at higher OSR, coalescence and Ostwald ripening instabilities are observed. Optimized OSR is found to be 4 at optimal ultrasonic conditions. Higher surfactant concentration reduced Dz-avg, while increased oil concentration raised Dz-avg. A significant decrease in Dz-avg is observed up to 459 J/mL energy density, thereafter Dz-avg declined slowly. The Dz-avg prediction, modeled with energy density, exhibited a strong power law fit and is applicable for both scaling up and adjusting Dz-avg. This study proposes a standard process for formulating o/w NEs through an efficient continuous emulsification method. It offers valuable insights into optimizing emulsion formulation via ultrasonic cavitation techniques, contributing to scalable production in diverse industrial sectors.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"24 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874583","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

Thermodynamic Modeling of Phase Equilibrium of CO2 + TBPB + THF + NaCl + Water System

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-23 DOI: 10.1021/acs.iecr.4c02976

Amirreza Ghavi, Hassan Pahlavanzadeh

{"title":"Thermodynamic Modeling of Phase Equilibrium of CO2 + TBPB + THF + NaCl + Water System","authors":"Amirreza Ghavi, Hassan Pahlavanzadeh","doi":"10.1021/acs.iecr.4c02976","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02976","url":null,"abstract":"In this work, the effect of adding thermodynamic promoters tetra-n-butyl phosphonium bromide (TBPB) and tetrahydrofuran (THF) on the conditions of CO2 gas hydrate formation is investigated. Considering that seawater is used for the formation of hydrate in large volume, the effect of NaCl as the dominant salt in saline water on the phase equilibrium of the CO2 + TBPB system in the presence of THF is studied. Also, in order to predict the conditions of hydrate formation, the van der Waals–Plateau model has been used to model the hydrate phase equilibrium. The SRK equation of state has been used to check the gas phase. The e-NRTL model has been used to estimate the activity coefficient, and the model parameters for the system are presented under study. The results show that addition of NaCl (3% mass fraction) to the (TBPB + THF) aqueous solution changes the equilibrium conditions of CO2 hydrate formation. It is observed that the hydrate pressure predicted by the provided model is in good agreement with the available experimental data on the CO2 hydrate phase equilibrium in the presence of TBPB, THF, and NaCl. The model parameters are also estimated by using experimental data and the optimization method. The average absolute deviation for hydrate dissociation pressure is 3.23%.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"26 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874582","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

The Preparation of Copper–Manganese Catalysts Using a Sequentially Feeding Microreactor

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-23 DOI: 10.1021/acs.iecr.4c03029

Xin Jiang, Bing Han, Jiawei Fu

引用次数: 0

Numerical Analysis of Controlled Droplet Formation Surrounded by a Shear-Thinning Fluid in a Coflow Microfluidic Device

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-23 DOI: 10.1021/acs.iecr.4c03141

Manohar Jammula, Somasekhara Goud Sontti

{"title":"Numerical Analysis of Controlled Droplet Formation Surrounded by a Shear-Thinning Fluid in a Coflow Microfluidic Device","authors":"Manohar Jammula, Somasekhara Goud Sontti","doi":"10.1021/acs.iecr.4c03141","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03141","url":null,"abstract":"In this work, we used a coupled level set and volume of fluid (CLSVOF) computational method for studying the generation of microdroplets in a two-dimensional circular coflow microfluidic device. The fundamental understanding of shear-thinning behavior on controlled droplet formation in a microchannel is systematically investigated. Droplet generation and dynamics are controlled by altering the operating conditions and fluid properties, such as CMC solution concentration, both fluids’ flow rates, and interfacial tension. The droplet length, velocity, liquid film thickness, and formation frequency are quantitatively analyzed and presented in a non-dimensional form. The droplet length decreased with the flow rate and concentration of the CMC solution. However, the length of the droplet increased with the dispersed phase flow rate and interfacial tension. From the set of simulation data, flow regime maps and scaling relations are developed over a range of operating conditions. This work provides critical insights into the uniform and controlled droplet formation in shear-thinning fluids within a circular coflow microchannel, offering guidance for future innovations in the design and optimization of microfluidic systems for specific applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"8 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874586","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

A New Aluminum Porphyrin-Based Porous Hyper-Cross-Linked Polymer Modified by Imidazolium Salts for Cooperative Conversion of CO2 into Cyclic Carbonates under Mild Conditions

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-12-22 DOI: 10.1021/acs.iecr.4c01838

Kechi Chen, Yu Chen, Zixuan Zhang, Rongchang Luo

{"title":"A New Aluminum Porphyrin-Based Porous Hyper-Cross-Linked Polymer Modified by Imidazolium Salts for Cooperative Conversion of CO2 into Cyclic Carbonates under Mild Conditions","authors":"Kechi Chen, Yu Chen, Zixuan Zhang, Rongchang Luo","doi":"10.1021/acs.iecr.4c01838","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01838","url":null,"abstract":"Metalloporphyrin-based porous organic polymers that behave as advanced biomimetic nanoreactors have drawn continuous attention for heterogeneous CO2 cycloaddition conversion in the past decades. However, the use of homogeneous onium salts, usually acting as nucleophilic cocatalysts, may increase the cost of product purification and cause additional environmental problems. In this contribution, a new aluminum porphyrin-based porous hyper-cross-linked polymer modified by imidazolium salts (denoted as Im@Al-HCP) has been successfully constructed for the first time. The two-step process of hyper-cross-linking reaction combined with postsynthetic modification endows the catalyst with a large surface area (about 213 m2·g–1), good CO2 adsorption capacity (up to 1.45 mmol·g–1), and highly dispersed cooperative active sites. Accordingly, bifunctional Im@Al-HCP exhibits an outstanding catalytic activity, good recyclability, and broad substrate generality without cocatalysts and solvents under mild conditions. In particular, a high turnover frequency (TOF) value of up to 5000 h–1 can be acquired, which far exceeds that of most reported heterogeneous catalysts under identical conditions. In addition, the as-made heterogeneous catalyst can be recycled for at least six times without an obvious loss in catalytic activity. This work not only bring some inspirations for the construction of multifunctional catalysts but also provides great potential for industrial applications of CO2 cycloadditions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"281 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874213","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