Canadian Journal of Chemical Engineering最新文献

{"title":"The study of NH3-SCR mechanism on γFe2O3 supported LaMnO3 catalyst based on DFT","authors":"Kangshuai Lin,&nbsp;Wanzhen Zhong,&nbsp;Lijun Zhang,&nbsp;Xinshenghui Zhu,&nbsp;Kaijie Liu,&nbsp;Dongdong Ren","doi":"10.1002/cjce.25238","DOIUrl":"10.1002/cjce.25238","url":null,"abstract":"<p>Fe₂O₃ supported LaMnO₃ is an effective selective catalytic reduction (SCR) denitrification catalyst, but its reaction mechanism has not been reported yet. This article is based on the density functional theory (DFT) method to study the denitrification reaction mechanism of LaMnO₃/Fe₂O₃ catalyst, in order to guide the development and application of denitrification catalysts. The conclusion is as follows: NH₃, NO, and O₂ molecules can form stable adsorption on the surface of La MnO₃/γFe₂O₃ catalysts, and NH₃ molecules are more likely to be adsorbed on Mn ions. Under the oxidation of lattice oxygen, NH₃ will gradually dehydrogenate to form NH₂, and then will react with NO in the air to form the transitional intermediate NH₂NO, to produce N₂ and H₂O. The mechanisms are same on Mn and Fe sites. The dehydrogenate of NH₃ to form NH₂ is rate determining step. Compared with pure γFe₂O₃, the energy barrier decreases to promote the SCR process.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140154835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Research on enhancing separation of ultra-fine droplets using turbulators between adjacent demister plates in WFGD systems","authors":"Yong Jia,&nbsp;Meilian Yang,&nbsp;Jin Bai,&nbsp;Shi Bu","doi":"10.1002/cjce.25239","DOIUrl":"10.1002/cjce.25239","url":null,"abstract":"<p>To enhance the performance of demister applied in wet flue gas desulphurization systems, flow turbulators are equipped between adjacent plates to reconstruct flow field. Both experimental and numerical approaches are employed to investigate the influence of various kinds of turbulator configurations upon removal of droplets within the range of 5–50 μm obeying Rosin-Rammler distribution. Turbulators including spoiler, square column, concave groove, perforated concave groove, and triangular and cylinder columns are compared, among which spoiler provided the highest overall efficiency while square column yields the best graded efficiency for 5 μm droplets group. Furthermore, moving the spoiler towards the core region of the demister ducts received better performance due to augmented interaction between spoiler and drainage channels, which performed an essential role in droplets collection. Based on this knowledge, spoilers are optimized by changing their angle of attack and size; the result is positive since overall separation efficiency can be improved to 100%, along with graded efficiencies for 10 and 5 μm groups achieving 95.97% and 27.26%, respectively, much higher than those of baseline demister without turbulators. This study indicates that inertial-based demisters have great potential in separating ultra-fine droplets through reorganizing turbulence field, thus extra system loss can be avoided by abandoning additional filter components.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140154843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A steady two-dimensional cylindrical mass transport model to determine binary gas diffusivities: A proof-of-concept theoretical development","authors":"Carlos A. Ramírez","doi":"10.1002/cjce.25229","DOIUrl":"10.1002/cjce.25229","url":null,"abstract":"<p>Binary gas diffusivities, <i>D</i>_<i>AB</i>s, are key parameters in the analysis of many chemical engineering processes. Significant efforts to estimate diffusivities experimentally were made by Josef Stefan in the 19th century, who designed a column with liquid <i>A</i> at the bottom overlaid by a gas phase through which gas <i>A</i> diffused. His studies led to the determination of <i>D</i>_<i>AB</i>s for many gas pairs (<i>B</i> is commonly air), and to the development of alternate mass transport systems. The present proof-of-concept theory describes a steady two-dimensional (2D) diffusion model consisting of a vertical cylinder thinly coated on its inner surfaces with either a sublimating or evaporating species <i>A</i>. The gas-phase mass conservation partial differential equation is rendered dimensionless and solved by separation of variables. The theoretical molar flow rate of species <i>A</i> at the top of the cylinder, calculated analytically, can be equated to the experimental rate of mass loss from the coated walls, ultimately leading to <i>D</i>_<i>AB</i>. The solution of the steady 2D diffusion model is explored in terms of the cylinder aspect ratio (height/radius), showing that the latter quantity can be tailored to obtain preselected sublimation rates of <i>A</i>. The interplay of the radial and axial diffusion mechanisms is also demonstrated as a function of geometry. Finally, the model's use in analyzing a projected sublimation/evaporation–diffusion experiment is discussed. This is the first time that a steady 2D diffusive transport model has been proposed to estimate <i>D</i>_<i>AB</i>s from experimental data.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140154842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Taguchi method and neural network for efficient β-ketoenamine synthesis in deionized water","authors":"Wissal Ghabi,&nbsp;Kamel Landolsi,&nbsp;Fraj Echouchene,&nbsp;Abdullah Bajahzar,&nbsp;Moncef Msaddek,&nbsp;Hafedh Belmabrouk","doi":"10.1002/cjce.25237","DOIUrl":"10.1002/cjce.25237","url":null,"abstract":"<p>The optimization of performance parameters, in particular the yield of the synthesis reaction of β-enaminones in demineralized water, is crucial to improve their efficiency and accuracy. In this report, we investigate the optimization of the synthesis of β-ketoenamines in deionized water by controlling several parameters such as reaction time, temperature, amine equivalent, acid percentage, and stirring rate. An orthogonal L₁₆ (4⁵) network was created using Taguchi's approach, allowing for the best possible parameters. To forecast the contribution of each parameter, analysis of variance (ANOVA) techniques are also used. Multiple linear and nonlinear regression (MLR, MNLR) and multilayer perception artificial neural network (MLP-ANN) predictive models were developed. Analysis of the results led to optimized design parameters, with time = 6 h, temperature = 25°C, amine equivalent = 1.5, acid percentage = 20%, and stirring rate = 1000 rpm, leading to a maximum yield of 63%. ANOVA analysis revealed that temperature, stirring rate, acid percentage, and time are the parameters with the greatest influence. The least sensitive parameter is the amine equivalent. The two main interactions are temperature * acid % and amine equivalent * rpm. The MLP-ANN predictions are in good agreement with the experimental values, resulting in a higher <i>R</i>² compared to the quadratic regression model and the MLR model. By using molecular docking studies, the produced compounds' biological activity was investigated. Some of the synthesized compounds appear to be interesting and could be used for therapeutic applications. The results of this study give us insight into the gentle, cost-effective, and biologically active synthesis of β-enaminones in deionized water.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140154920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Response surface methodology for the green obtention of polyphenols from yerba mate","authors":"Nicolás Arencibia,&nbsp;Florencia Emilia Gomez-Osuna,&nbsp;Valeria Arencibia,&nbsp;Marta I. Litter,&nbsp;Jose Luis Marco-Brown","doi":"10.1002/cjce.25236","DOIUrl":"10.1002/cjce.25236","url":null,"abstract":"<p>Optimal conditions for polyphenols extraction from plants are moderate conditions and being water-based is mandatory. In this work, a response surface methodology (RSM) was used to attain optimal conditions for polyphenols extraction from yerba mate (YM, South-America infusion) using water as solvent under ultrasound (US). The following parameters were varied: mass of YM/volume of water (YM/W), pH, temperature, and time. The optimal conditions were 90°C with a YM/W of 150 g L⁻¹ for 5 min, at which the highest total polyphenol content (TPC) concentration (11,300 mg GAE L⁻¹) was found, together with an antioxidant activity of 132 mmol Trolox equivalent (TE) L⁻¹ of extract. The conditions obtained from the RSM method were applied to other methods as follows: extraction without stirring, magnetic stirring assisted extraction and US with magnetic stirring assisted extraction. Results indicated that the US-assisted extraction was the most efficient for extracting polyphenols under these conditions. This study helps to developing an eco-friendly and cost-effective experimental design, reducing the production of wastes, and using a very fast water-based method.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140114769","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Laminar mixing of Newtonian and non-Newtonian fluids in SMX static mixer","authors":"Neelabja Gayen,&nbsp;Srikanth Swamy,&nbsp;Sridhar Hari,&nbsp;Shirish H. Sonawane","doi":"10.1002/cjce.25232","DOIUrl":"10.1002/cjce.25232","url":null,"abstract":"<p>This report is focused on understanding the mixing performance of Newtonian and non-Newtonian fluids in an SMX static mixer through computational fluid dynamics (CFD) study in Simcenter STAR-CCM+. For this, the standard SMX mixer with four mixer elements of radius 26 mm was chosen. The aspect ratio (<i>L</i>/<i>D</i>) was taken as 1. The model constructed was compared using pressure drop ratio values available in literature. First, the design was validated for Newtonian fluid, then for shear-thinning fluid (non-Newtonian). Mixing patterns produced through particle tracking approach revealed how blending improved as the fluid moved downstream and interacted with increasing number of mixer elements. A sensitivity study was undertaken to investigate the effect of particle injection mechanism on the mixing process. Two injection methods, vertical and horizontal, were explored to check the influence of injection position on mixing. The results indicate that for the given configuration irrespective of the injection location, at least four mixing elements are needed to achieve good mixing for both Newtonian and shear-thinning fluids investigated in this study. Statistical reports were used to quantify mixing to understand the mixing behaviour for Newtonian and non-Newtonian fluids with change in Reynolds number. At high Reynolds number, non-Newtonian fluids exhibited better mixing abilities. Further, efforts were taken to optimize the various design parameters to produce the most optimum solution with a single mixer element for Newtonian fluid.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140115412","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced process monitoring for industrial coking furnace using a dual-channel pooling and homologous bilinear model-based convolutional neural network","authors":"Chunle Hua,&nbsp;Yuancun Cui,&nbsp;Feng Wu,&nbsp;Ridong Zhang","doi":"10.1002/cjce.25228","DOIUrl":"10.1002/cjce.25228","url":null,"abstract":"<p>This paper introduces a process monitoring method using a convolutional neural network (CNN) with dual-channel pooling and homologous bilinear models (DCP-HBM). This method aims to enhance the stability of industrial coking furnaces and reduce maintenance costs. It is significantly relevant for addressing challenges such as complexity, high dimensionality, and strong coupling, which are difficult to manage with traditional fault diagnosis methods. In this study, a deep feature extraction module is employed to gather feature information. To effectively reduce the impact of noise and strengthen the correlation between features, DCP is incorporated after deep feature extraction. Concurrently, a HBM is introduced for feature fusion, further refining the characteristics of each state. Faults are then accurately classified through a classification module. The method utilizes DCP to filter and focus input data, thus making the model more attentive to task-relevant information. This enhances the model's understanding and representation of the input data. The introduction of the HBM further refines the features extracted by the network and increases the precision of feature extraction. This leads to improved recognition of faults with high similarity, thereby enhancing the accuracy of the overall process monitoring. Experimental results demonstrate that this method exhibits strong performance in the monitoring of industrial coking furnaces, indicating its wide-ranging application prospects.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140072172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Issue Highlights","authors":"","doi":"10.1002/cjce.24987","DOIUrl":"https://doi.org/10.1002/cjce.24987","url":null,"abstract":"","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140053219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Impact of engineered water in modulating the wettability of oil–brine–rock system for improved oil recovery","authors":"Uma Sankar Behera,&nbsp;Raghav Dadhich,&nbsp;Jitendra S. Sangwai","doi":"10.1002/cjce.25227","DOIUrl":"10.1002/cjce.25227","url":null,"abstract":"<p>Low salinity water injection stands as a progressive method for enhanced oil recovery, representing a current focus of extensive research. Understanding wettability alteration in crude oil is hindered by its intricate nature, posing a challenge for researchers. In order to better understand wettability alteration and underlying phenomena in an oil–brine–rock system, a fundamental study was carried out using pure hydrocarbon (aliphatic: <i>n</i>-heptane; aromatic: toluene) and crude oil on quartz surface against engineered water consist of monovalent (NaCl) and divalent (MgSO₄) salts in various compositions (NaCl:MgSO₄: 100:0; NaCl:MgSO₄: 0:100; NaCl:MgSO₄: 75:25; NaCl:MgSO₄: 50:50; NaCl:MgSO₄: 25:75). The variables under investigation include temperature (25 to 65°C), pure hydrocarbons (toluene, <i>n</i>-heptane), crude oil (Indian offshore), and brine (B1 to B5) with concentration (0 to 20,000 ppm). The findings show that when brine solution contains solely NaCl salt at a concentration of 2000 ppm, <i>n</i>-heptane exhibits a minimum contact angle on quartz plate. Contrarily, toluene exhibits a low contact angle with a brine solution that only contains MgSO₄ salt at a concentration of 2000 ppm. The intriguing finding is that when monovalent and divalent salts are equal (NaCl:MgSO₄: 50:50) in the brine, crude oil exhibits the smallest contact angle on quartz. Additionally, temperature and contact angle are directly related for all oil types. The optimal brine for achieving the minimum contact angle on quartz surface is (B1)₂₀₀₀ for <i>n</i>-heptane, (B2)₂₀₀₀ for toluene, and (B4)₂₀₀₀ for crude oil for the current study. The study findings indicate that the alteration in wettability due to brine composition and salinity varies among different oil samples, characterized by purely aliphatic, aromatic, and mixed components, and it depends on the type of salt compositions. Higher salts concentration minimally affects <i>n</i>-heptane but influences toluene and crude oil contact angles.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical simulation of inter-stage of multistage centrifugal pump by varying number of blades","authors":"Durvesh Yadav,&nbsp;Raj Kumar Singh,&nbsp;Manjunath Kumarswamy","doi":"10.1002/cjce.25231","DOIUrl":"10.1002/cjce.25231","url":null,"abstract":"<p>Numerous impellers are placed in line on the same shaft in a multistage centrifugal pump, comprising an impeller, diffuser, and return channel. The design of a two-stage multistage centrifugal pump according to the specifications given in the literature was created using Creo Parametric software and validated by carrying out a numerical simulation of the first-stage centrifugal pump by varying the number of blades and impeller speed and concluding that the pump with 7 blades and 1900 rpm rotation gives the best efficiency and head by comparing the obtained results to experimental ones. ANSYS Fluent 2022R1 was used for simulation. The optimal solutions from the first stage were used to analyze the second stage. It was observed that losses in the diffuser of the 1st stage and 2nd stage are almost the same, but head losses in the return passage of the 1st stage and 2nd stage have differences of 19.99%, 28.5%, and 23.59% for 5, 6, and 7 blades, respectively. The findings show that the multistage simulation could more accurately mirror the actual flow than the two-stage simulation, but it also had more demanding computer configuration requirements. A two-stage simulation is a good option for estimating pump performance because it balances computation time and numerical precision better.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140037203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}