Chemical Engineering Science最新文献

{"title":"Efficient Cr(III) removal from effluent using functionalized Ficus benghalensis and Bambusa vulgaris bio-adsorbents","authors":"Maream Haque ,&nbsp;Saidur Rahman Shakil ,&nbsp;Md. Abdulla-Al-Mamun ,&nbsp;Plabon Islam Turzo ,&nbsp;Md. Abdul Mottalib ,&nbsp;Mahmuda Hakim ,&nbsp;Dipa Islam","doi":"10.1016/j.ces.2024.120905","DOIUrl":"10.1016/j.ces.2024.120905","url":null,"abstract":"<div><div>Chromium contamination from tannery wastewater poses a significant threat to both the environment and public health, making its removal from effluents crucial before discharge into surface water. This study explores the effectiveness of activated bio-adsorbents made from cost-effective and sustainable sawmill waste <em>Ficus benghalensis</em> (banyan) bark and <em>Bambusa vulgaris</em> (bamboo) for removing Cr (III) from tannery wastewater. The easy accessibility and unique porous structure of these biomaterials make them strong candidates for Cr (III) pollution mitigation. Through carbonization and surface-functionalization via single and two-step methods, the single-step synthesized activated bio-adsorbent exhibited a superior chromium removal rate, achieving 94 % for activated carbon derived from banyan bark (ACBB), compared to 66 % for the two-step process (ACBB*). Single-step synthesis was chosen due to shorter carbonization time, practically viable, and better surface performance of materials. A similar pattern was observed for bamboo-derived activated carbon (ACB), with the one-step process yielding an 82 % removal rate, in contrast to 43 % for the two-step process (ACB*). The bio-absorbents were characterized using XRD, FTIR, BET, SEM, TGA, and zeta potential analysis. Batch process optimization reveals that ACBB and ACB demonstrate maximum chromium removal efficiencies of 92 % and 76 %, respectively, under specific pH, dosage, and temperature conditions. The adsorbents adhere to the Freundlich isotherm model, indicating multilayer adsorption, and follow pseudo-second-order kinetics, suggesting chemisorption. The maximum adsorption capacities were 278.44 mg/g for ACBB and 212.99 mg/g for ACB, which are considerably higher than the findings of previous researchers for similar materials. Thermodynamic analysis reveals that Cr (III) adsorption is spontaneous and endothermic for ACBB, while it is spontaneous and exothermic for ACB. Furthermore, the adsorbents maintain efficacy over three regeneration cycles with less than a 10 % reduction in performance. This research can facilitate efficient Cr (III) removal in industrial-scale tannery wastewater treatment due to its reusability and high adsorption performance, while also guiding future investigations. The potential of these eco-friendly bio-adsorbents for scalable, industrial tannery wastewater treatment offers a sustainable solution for chromium removal.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120905"},"PeriodicalIF":4.1,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142610335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Diffusional penetration of aerosols through a tube: Comparison between Monte Carlo simulation of Brownian particle trajectory and the numerical solution of the advection–diffusion equation","authors":"M. Alonso","doi":"10.1016/j.ces.2024.120942","DOIUrl":"10.1016/j.ces.2024.120942","url":null,"abstract":"<div><div>Penetration of nanometer-sized, diffusive aerosol particles through a circular tube has been determined by two numerical methods. One method consisted in the simulation of the trajectories of Brownian particles suspended in a flowing fluid medium. The other was the numerical solution of the advection–diffusion equation. For any given value of the particle diffusion coefficient, penetration, i.e. the fraction of particles that avoid diffusion loss to the wall and exit the tube, calculated by the two methods agreed fairly well with each other for the three types of fluid flow tested (uniform, developing, and fully developed parabolic flows). For the case of parabolic flow there exists an analytical series solution which has been successfully compared with experimental results in a relatively large number of past investigations. The results obtained by the two numerical methods have also shown an excellent agreement with this analytical solution. The Brownian dynamics simulation method requires a larger computer time, but its simplicity allows examination of other aerosol flow processes too difficult to study either experimentally or by means of conventional differential equations. Aerosol penetration in transient, developing flow has never been addressed before, neither experimentally nor theoretically. The results reported in this paper are the first ones.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120942"},"PeriodicalIF":4.1,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142637653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coalescence characteristics of bubbles from submerged micron-sized double-orifice plates: Experiments and modeling","authors":"Hong Jiang ,&nbsp;Ziyang Chen ,&nbsp;Ziqin Xu ,&nbsp;Wenyi Pei ,&nbsp;Zhenchen Tang ,&nbsp;Jiuxuan Zhang ,&nbsp;Zhengyan Qu ,&nbsp;Weihong Xing ,&nbsp;Rizhi Chen","doi":"10.1016/j.ces.2024.120943","DOIUrl":"10.1016/j.ces.2024.120943","url":null,"abstract":"<div><div>Bubble dynamics is of significance for improving the performance of bubbling. However, few studies focused on the detailed characteristics of bubble formation at micron-sized multiple orifices. Herein, the dynamic behaviors of bubble growth at micron-sized double-orifice plates are visually investigated. The evolution of adjacent bubbles, coalescence frequency, and detachment diameter of the initial bubbles with orifice diameter and spacing, gas flow, and liquid properties are obtained. Based on the experimental data, three dimensionless parameters, Weber number (We), Reynolds number (Re), and Froude number (Fr), are introduced through dimensional analysis. A mathematical correlation between the Sauter mean diameter of bubbles and orifice diameter and spacing, gas velocity, and liquid viscosity and surface tension is established for the first time. The error between the calculated and experimental values is found to be within ± 15 %. The work provides guidance for the understanding and development of bubbling at micro orifices.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120943"},"PeriodicalIF":4.1,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142610284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Assessment of scale-up designs for a diameter-transformed fluidized bed reactor with MP-PIC simulation","authors":"Yanyan Xie ,&nbsp;Fei Li ,&nbsp;Bona Lu ,&nbsp;Youhao Xu ,&nbsp;Wei Wang","doi":"10.1016/j.ces.2024.120904","DOIUrl":"10.1016/j.ces.2024.120904","url":null,"abstract":"<div><div>Scale-up has always been the bottleneck to the development of new industrial processes. This study aims to assess the scale-up effects of a diameter-transformed fluidized bed (DTFB) reactor through three-dimensional, multi-phase particle-in-cell (MP-PIC) simulation with the Energy-Minimization Multi-Scale (EMMS) drag and solid stress model. Four 3.5 Mt/a DTFB reactors are designed by scaling up a 1.2 Mt/a one with different scale-up schemes and simulated after validation. It is found the Glicksman’s rule shows the most similarity in solid concentration distribution to the benchmark case while the FixedOperation rule under-predicts the solid concentration, meaning that only keeping constant <em>U</em>_g and <em>G</em>_s cannot guarantee the same distribution of solid concentration when scaling up the fast fluidized bed. In addition, all four scale-up designs ensure the same gas velocity, yet they exhibit varying solid velocities throughout the scale-up process. A more rational scale-up rule is required for the elaborate reactor scale-up.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120904"},"PeriodicalIF":4.1,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142610279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tuning oxygen vacancy for efficient CO2 electroreduction over CeO2 supported SnO2","authors":"Zhanpeng Liang ,&nbsp;Hai Liu ,&nbsp;Yaxin Jin ,&nbsp;Jianlong Lin ,&nbsp;Zhihui Liu ,&nbsp;Tianxiang Yan ,&nbsp;Sheng Zhang","doi":"10.1016/j.ces.2024.120933","DOIUrl":"10.1016/j.ces.2024.120933","url":null,"abstract":"<div><div>CO₂ electroreduction is favorable in neutral or alkaline aqueous solutions, where H₂O serves as the proton source, suffering from sluggish dynamics. Herein, we synthesize a series of SnO₂-CeO₂ with different oxygen vacancy (O_v) concentration, regulating the H₂O dissociation, to synchronize with the CO₂ reduction. The optimal SnO₂-CeO₂ catalyst, with a moderate O_v concentration, exhibits a formate Faradic efficiency of nearly 93% and maintains for more than 46 h at a current density of 100 mA/cm². The catalyst with lower O_v concentration results in weak H₂O dissociation, thus enhancing the energy barrier of *OCHO generation, while higher O_v concentration leads to excessive proton, exacerbating the hydrogen evolution reaction (HER), as supported by DFT calculation and in situ attenuated total reflection-Fourier transform infrared spectra (ATR-FTIR). This study underscores the significance of O_v concentration in determining the ability of water dissociation over supported electrocatalysts, providing valuable insights for the development of more efficient electrocatalyst.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120933"},"PeriodicalIF":4.1,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142601616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Deciphering the mass transfer and diffusion behavior in the oxidation of fatty alcohols to fatty acids over Pt/MCM-41","authors":"Jiarong Lu,&nbsp;Guoliang Li,&nbsp;Yue Pan,&nbsp;Mingyue Zhao,&nbsp;Fan Rong,&nbsp;Yihang Liu,&nbsp;Zhibo Zhang,&nbsp;Hui Zhao,&nbsp;Xin Zhou,&nbsp;Yibin Liu,&nbsp;Xiaobo Chen,&nbsp;Hao Yan,&nbsp;Chaohe Yang","doi":"10.1016/j.ces.2024.120931","DOIUrl":"10.1016/j.ces.2024.120931","url":null,"abstract":"<div><div>Selective oxidation of long-chain fatty alcohols into acids is an important value-added reaction. However, exploring the basic catalytic steps over Pt-based catalysts throughout the entire oxidation process is still ambiguous. In this work, we systematically investigated the synergistic mechanisms of adsorption, reaction, and diffusion over Pt/MCM-41 for normal/isomeric alcohols oxidation into acids via molecular dynamics, in-situ characterization, and experiments. Specifically, diffusion coefficients decrease with the increase of the molecular weight of normal molecules due to the increased van der Waals forces, while isomeric alcohols exhibit more complex patterns originated from the steric hindrance between Pt particles and mesopores. To quantitatively describe this pattern, a cluster size descriptor of <span><math><mrow><msubsup><mi>d</mi><mrow><mi>Pt</mi></mrow><mrow><mn>0.75</mn></mrow></msubsup><mo>×</mo><msubsup><mi>d</mi><mrow><mi>Pore</mi></mrow><mrow><mn>0.25</mn></mrow></msubsup></mrow></math></span> was defined. Notably, 2-ethylhexanol exhibits the best self-diffusion coefficients at the descriptor value of 3.14. Correspondingly, the oxidation of 2-ethylhexanol to 2-ethylhexanoic acid displays highest reaction conversion (68.67 %) and selectivity (65.59 %).</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120931"},"PeriodicalIF":4.1,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142601614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Continuous CO2 cycloaddition to cyclic carbonate in a membrane dispersion enhanced fixed-bed reactor","authors":"Zhengyan Qu ,&nbsp;Yingfan Wang ,&nbsp;Jiuxuan Zhang ,&nbsp;Zhenchen Tang ,&nbsp;Hong Jiang ,&nbsp;Weihong Xing ,&nbsp;Rizhi Chen","doi":"10.1016/j.ces.2024.120927","DOIUrl":"10.1016/j.ces.2024.120927","url":null,"abstract":"<div><div>CO₂ cycloaddition is an effective approach to achieve high-value chemical products and mitigate greenhouse gas emissions. However, high-efficiency and continuous CO₂ cycloaddition keeps a significant challenge. Herein, continuous liquid-phase CO₂ cycloaddition to cyclic carbonate is successfully realized for the first time in a membrane dispersion enhanced fixed-bed reactor. The reactor system can be operated steadily for 100 h with a productivity of 15.9 g_{cyclic carbonate}·h⁻¹·g_cat.⁻¹, more than ten times that of the traditional fixed-bed reactor.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120927"},"PeriodicalIF":4.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142601617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"On a new globally optimal method for the design optimization of air coolers coupled with real fans","authors":"Marco Thiago da C. Santos ,&nbsp;Argimiro Resende Secchi ,&nbsp;Miguel J. Bagajewicz ,&nbsp;André L.H. Costa","doi":"10.1016/j.ces.2024.120926","DOIUrl":"10.1016/j.ces.2024.120926","url":null,"abstract":"<div><div>A new approach for the globally optimal design of air coolers is presented. First, by coupling the air cooler geometric options with commercially available fans, the traditional mismatch emerging from designing the air cooler first and selecting a commercial fan later is removed. Second, the method departs from the traditional LMTD and ε-NTU methods, adopting a model composed of a differential–algebraic system of equations (DAE system) for the air cooler simulation, which is discretized to consider properties variable with temperature. The resultant optimization problem is solved using Set Trimming and Smart Enumeration, which can identify the global optimum through the simulation of only a small fraction of the search space. The comparison of the simulation results with different commercial software provided similar outputs. A comparison with design results obtained using LMTD solutions indicates that the LMTD models may overdesign/underdesign the unit.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"303 ","pages":"Article 120926"},"PeriodicalIF":4.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142601615","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-fidelity modelling of unburnt coal flow in an industry-scale blast furnace using a hybrid CFD-DEM method","authors":"Zhouzun Xie,&nbsp;Yansong Shen","doi":"10.1016/j.ces.2024.120929","DOIUrl":"10.1016/j.ces.2024.120929","url":null,"abstract":"<div><div>Solid fuels, such as coal or biochar, can be injected into a blast furnace for low-carbon ironmaking. However, unburnt coal or biochar powders may accumulate in the coke bed, potentially reducing bed permeability and compromising furnace stability. Current CFD-DEM methods struggle to simulate systems with significant size differences between coke particles and coal or biochar powders, where the diameter ratio <em>d_ck/d_cl</em> is 100–200 times. In this work, a novel multi-resolution hybrid CFD-DEM model is developed to simulate gas-unburnt powders-coke particles flow dynamics within and around the raceway with high fidelity. The model’s accuracy is validated by comparing the simulated evolution of the raceway cavity shape with experimental results. Subsequently, the hybrid model is used to simulate unburnt powder flow through the raceway and the adjacent coke bed (<em>d_ck/d_cl</em> = 100), comparing its performance with the conventional smoothed CFD-DEM model. The effects of gas inlet velocity and powder wettability are also analysed. Results show that the hybrid CFD-DEM model effectively simulates detailed pore fluid flow in the coke bed, which the smoothed model fails to capture, demonstrating the hybrid model’s superiority. Increasing gas inlet velocity enlarges the raceway cavity, intensifies high-speed pore flows, and accelerates powder transport into the coke bed. Additionally, higher cohesion energy density (<em>k</em>_CED) reduces powder penetration, aligns the peak holdup position and penetration angle, and decreases permeability at key probe positions. This work provides an effective and efficient numerical tool to help understand and optimise the injection operation in blast furnaces.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120929"},"PeriodicalIF":4.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142599541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid solvent transport and tunable molecular sieving enabled by ultrathin alkyl-chain-engineered polyamide membranes","authors":"Shuyun Gu,&nbsp;Linlong Zhou,&nbsp;Jin Zhang,&nbsp;Dan Wang,&nbsp;Siyao Li,&nbsp;Zhi Xu","doi":"10.1016/j.ces.2024.120925","DOIUrl":"10.1016/j.ces.2024.120925","url":null,"abstract":"<div><div>Organic solvent nanofiltration (OSN) has emerged as a promising separation technology for the chemical and pharmaceutical industries due to its low energy consumption and eco-friendliness. However, traditional polyamide-based membranes used in OSN often exhibit low permeance for organic solvents and it is difficult to precisely control the pore structure. In this study, we report a facile approach to fabricate ultrathin alkyl-chain-engineered polyamide nanofilms via free-standing interfacial polymerization for high-performance selective separations. The membranes were prepared via a “two birds one stone” strategy, enabled by post-treatment in aliphatic amine solution, simultaneously regulating the pore size and optimizing the membrane chemical property. This enables the membrane with high solvent permeance, especially for non-polar solvents (heptane at ∼22.2 L m⁻²h⁻¹ bar⁻¹, toluene at ∼16.8 L m⁻²h⁻¹ bar⁻¹), while maintaining excellent molecular sieving capability. Notably, the molecular weight cut-off (MWCO) can be regulated by introducing alkyl chains of varying lengths to their pores. The exceptional solvent permeance and tunable molecular sieving property make the membranes promising for high value-added products purification in the pharmaceutical industry and crude oil separation.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120925"},"PeriodicalIF":4.1,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}