Canadian Journal of Chemical Engineering最新文献_第4页

High fidelity numerical simulation of ethylene epoxidation packed bed 乙烯环氧化填料床的高保真数值模拟

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-23 DOI: 10.1002/cjce.25613

Bing Yuan, Chuanxia Hu, Pin Liu, Jinjun Guo, Xiaodong Long, Congbin Jiang

{"title":"High fidelity numerical simulation of ethylene epoxidation packed bed","authors":"Bing Yuan, Chuanxia Hu, Pin Liu, Jinjun Guo, Xiaodong Long, Congbin Jiang","doi":"10.1002/cjce.25613","DOIUrl":"https://doi.org/10.1002/cjce.25613","url":null,"abstract":"Packed bed reactors with a low tube-to-particle diameter ratio are mainly used in strong exothermic/endothermic reaction systems. However, the traditional plug flow packed bed reactor model is unsuitable for reactors with low N value (i.e., tube-to-particle diameter ratio) due to channelling near the wall and reflux in the bed. In this work, a high fidelity numerical model of packed bed reactor with different macro morphologies of particles was established by coupling the heterogeneous packed bed model, particle internal diffusion model, component migration equation, and reaction kinetics. Taking the packed bed reactor for ethylene epoxidation as an example, the industrial simulation of catalyst particles with different macro morphology was carried out by using this method. The total porosity and porosity distribution of the bed in this model are in good agreement with empirical formulas, with the errors in bed pressure drop and ethylene conversion rate being less than 15%. By using this model to simulate the flow field, temperature field, and internal diffusion of particles in a packed bed reactor with high fidelity, the concentration distribution of each component can be predicted. By comparing the pressure drop, temperature rise, and ethylene conversion rate of packed bed reactors filled with catalyst particles of different macroscopic shapes, it was found that HC2 particle-packed beds have a lower pressure drop and a higher ethylene conversion rate.","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 8","pages":"4032-4050"},"PeriodicalIF":1.6,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551335","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}

引用次数: 0

Experimental methods in chemical engineering–Validation of steady-state simulation 化学工程中的实验方法--稳态模拟的验证

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-22 DOI: 10.1002/cjce.25601

Caroline Brucel, Émilie Thibault, Gregory S. Patience, Paul Stuart

{"title":"Experimental methods in chemical engineering–Validation of steady-state simulation","authors":"Caroline Brucel, Émilie Thibault, Gregory S. Patience, Paul Stuart","doi":"10.1002/cjce.25601","DOIUrl":"https://doi.org/10.1002/cjce.25601","url":null,"abstract":"Steady-state simulation (Aspen, PRO/II, WinGEMS, CADSIM Plus) guides equipment selection, operating conditions, and optimization to design chemical processes like Kraft pulping, specialty chemicals, and petrochemical complexes. Ensuring that the simulation characterizes the yields, heat transfer loads, purity, utilities demand, and profitability requires data that represents the physicochemical and transport properties of each stream and unit operation. Here, we present strategies to validate steady-state simulations against plant data and expectations from operators. To build and validate simulations requires real-time data, but errors contaminate measurements and dynamic conditions—start-up, shut-downs, process upsets—compromise fidelity. A pre-treatment step removes incongruous data to build the simulation on process conditions representative of steady-state. Working through the process with experts (informal validation) and comparing simulation results with plant data (formal validation) reduces gross error with an objective to achieve a simulation accuracy to within one standard deviation of measurement variability. A bibliometric review highlights the limited focus on steady-state simulation validation in the field of process engineering. Most articles mention accuracy but neglect to describe how it is evaluated. Despite this scarcity, validation remains a critical factor in various domains of chemical engineering research. Interviews with professionals offer a practical perspective on the applications of simulation in an industrial context like process monitoring, equipment performance analysis, operator training, and decision-making. Finally, a case study demonstrates how to implement data treatment and validation for Kraft mill brownstock washing department: Applying multiple validation techniques increases the value and confidence in the simulation.","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 5","pages":"1945-1964"},"PeriodicalIF":1.6,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25601","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Process simulation on oxy-fuel combustion of coal and biomass in a circulating fluidized bed 循环流化床中煤和生物质全氧燃烧过程模拟

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-22 DOI: 10.1002/cjce.25600

Xuejiao Liu, Zecheng Liu, Yun Hu, Wenqi Zhong

{"title":"Process simulation on oxy-fuel combustion of coal and biomass in a circulating fluidized bed","authors":"Xuejiao Liu, Zecheng Liu, Yun Hu, Wenqi Zhong","doi":"10.1002/cjce.25600","DOIUrl":"https://doi.org/10.1002/cjce.25600","url":null,"abstract":"Appropriately evaluating the gas–solid hydrodynamics and reaction kinetics of reactors within process simulation approach can provide more accurate and comprehensive techno-economic and environmental assessments, as well as more effective design and optimization for new processes and technologies. In this study, a one-dimensional process simulation of biomass and coal oxy-co-firing in a 100 kWth circulating fluidized bed was developed, with the models for gas–solid hydrodynamics and synergistic reactions of two fuels being established in Aspen Plus software. The effects of fuel properties, gas atmosphere, and operating parameters on the combustion process, flue gas products, and heat distributions in the bed were studied. Results show that the proposed process models can successfully describe the oxy-co-firing of coal and biomass in the furnace including the pyrolysis and the combustions of gaseous volatile and char. Increasing the oxygen concentration and biomass blending ratio will improve the combustions in dense phase region and obviously increase the heat release in this region. More heating surfaces should be arranged in the dense phase region when retrofitting an existing circulating fluidized bed (CFB) boiler with air combustion to be the oxy-fuel one. Additionally, the increase of oxygen concentration could reduce the emissions of pollutants such as CO and NOX, while the addition of biomass may bring a slight increase in NOX emission.","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 4","pages":"1535-1549"},"PeriodicalIF":1.6,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143582004","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}

引用次数: 0

Influence of clay metal minerals on the products of microwave pyrolysis of oil sludge 黏土矿物对油泥微波热解产物的影响

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-22 DOI: 10.1002/cjce.25607

Ruixuan Wang, Liang Shi, Shihong Hu, Xingyuan Chen, Wentao Su

{"title":"Influence of clay metal minerals on the products of microwave pyrolysis of oil sludge","authors":"Ruixuan Wang, Liang Shi, Shihong Hu, Xingyuan Chen, Wentao Su","doi":"10.1002/cjce.25607","DOIUrl":"https://doi.org/10.1002/cjce.25607","url":null,"abstract":"Oil sludge is a solid organic waste generated during the extraction and transport of petroleum resources. In this paper, initially, the types of oil sludge and the potential hazards of oil sludge are discussed. On this basis, the disposal process of microwave pyrolysis of oil sludge for generating three-phase products (gas, light oil, and residual carbon) for recycling is put forward, through which the oil sludge is recycled and reused, and the pollution to the environment is decreased. To elevate the reaction rate of microwave pyrolysis of oil sludge and raise the yields of gas and liquid oil, four catalysts (montmorillonite-Ca-based, montmorillonite-Na-based, kaolinite, chlorite) were introduced to experimentally dissect the heating rate, oil production rate, and gas production rate of microwave pyrolysis. The results demonstrated that the reaction rate of microwave pyrolysis was prominently enhanced after adding the catalysts, and the contents of pyrolysis oil and pyrolysis gas also increased conspicuously. The combustible gas content in pyrolysis gas (H2 + CH4 + CO) increased by 17.624 wt.% (montmorillonite Na-based), 9.511 wt.% (chlorite), 12.28 wt.% (kaolinite), and 15.164 wt.% (montmorillonite Ca-based), respectively, compared to that of the blank group. The clay–metal mineral catalysts, particularly montmorillonite Na-based, facilitated the sludge decomposition, augmented the content of low-carbon number straight-chain hydrocarbons and alcohols, and improved the quality of pyrolysis oil products.","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 8","pages":"3888-3902"},"PeriodicalIF":1.6,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551350","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}

引用次数: 0

Antibacterial studies of vitamin E encapsulated lemongrass oil nanoemulsions against gram-negative and gram-positive bacteria 维生素E包封柠檬草油纳米乳对革兰氏阴性菌和革兰氏阳性菌的抑菌研究

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-21 DOI: 10.1002/cjce.25610

Veda Prakash, Vaishakh Nair, Lipika Parida

{"title":"Antibacterial studies of vitamin E encapsulated lemongrass oil nanoemulsions against gram-negative and gram-positive bacteria","authors":"Veda Prakash, Vaishakh Nair, Lipika Parida","doi":"10.1002/cjce.25610","DOIUrl":"https://doi.org/10.1002/cjce.25610","url":null,"abstract":"The current study assessed the antibacterial properties of vitamin E nanoemulsions, synthesized using a low-energy phase inversion emulsification method. The nanoemulsions were characterized through particle size analysis, and their antimicrobial efficacy was assessed against the bacteria Staphylococcus aureus and Escherichia coli by disc diffusion method. The mechanisms underlying the antibacterial activity were investigated through scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). The vitamin E nanoemulsions demonstrated significant antibacterial activity against both bacterial strains. Specifically, the zone inhibition diameters for S. aureus and E. coli increased by 5.68 times and 2.61 times, respectively, compared to the pure vitamin E component. The incorporation of Tween 80 as a surfactant resulted in a reduction of the antibacterial properties of the nanoemulsions. Furthermore, the study found that the vitamin E encapsulated lemongrass oil nanoemulsion demonstrated higher antibacterial activity to S. aureus and E. coli when compared to other nanoemulsions. The nanoemulsions exhibited significantly greater resistance to S. Aureus as compared to E. coli. SEM and FTIR analyses revealed that the nanoemulsions induced alterations in bacterial cell membrane permeability and surface characteristics. These results confirmed the mechanism of vitamin E nanoemulsions antibacterial activity and established a crucial base for their potential use in food matrices.","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 8","pages":"3739-3750"},"PeriodicalIF":1.6,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551331","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}

引用次数: 0

Study of solids flow in the dipleg of the primary cyclone of a 0.6 m diameter fluidized bed of a large group A powder 大a族粉体直径0.6 m流化床一级旋流器双孔内固体流动研究

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-21 DOI: 10.1002/cjce.25606

Jessica Godin, Francisco Sanchez Careaga, Dominic Pjontek, Cedric Briens, Jennifer McMillan

引用次数: 0

Investigation of liquid distribution in gas–solid fluidized beds for fluid cokers 流体焦化炉气固流化床内液体分布的研究

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-21 DOI: 10.1002/cjce.25596

Yohann Cochet, Cedric Briens, Franco Berruti, Jennifer McMillan

{"title":"Investigation of liquid distribution in gas–solid fluidized beds for fluid cokers","authors":"Yohann Cochet, Cedric Briens, Franco Berruti, Jennifer McMillan","doi":"10.1002/cjce.25596","DOIUrl":"https://doi.org/10.1002/cjce.25596","url":null,"abstract":"Thermal cracking processes convert larger molecules into smaller, more valuable products, without a catalyst, allowing for transforming residual oils or waste plastics into useful compounds. Fluid coking, a thermal cracking process utilizing a fluidized bed of hot particles, processes approximately 1 million barrels of residual oil daily. This study aims to understand the formation and breakage of wet agglomerates in fluidized beds, which are known to impact the efficiency of thermal cracking by promoting coke formation and fouling. A model is proposed to predict wet agglomerate formation, drying, and breakage. Experiments in a scaled-down cold model of the reactor provided data to validate the model. The study investigated the effects of spray nozzle penetration and the addition of a baffle on agglomerate behaviour. Results indicate that increased nozzle penetration reduces wet agglomerate formation, and adding a baffle increases agglomerate drying time and promotes breakage, reducing the amount of liquid reaching the reactor outlet. The combined approach of optimizing nozzle penetration and adding a baffle significantly improves fluid coker operation by minimizing the detrimental impact of wet agglomerates.","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 8","pages":"3983-3998"},"PeriodicalIF":1.6,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25596","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Semi-empirical model of brine evaporation rate in lithium processing 锂加工中卤水蒸发速率的半经验模型

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-21 DOI: 10.1002/cjce.25604

David Aleman-Sanchez, Diego Bertin, Juliana Piña

{"title":"Semi-empirical model of brine evaporation rate in lithium processing","authors":"David Aleman-Sanchez, Diego Bertin, Juliana Piña","doi":"10.1002/cjce.25604","DOIUrl":"https://doi.org/10.1002/cjce.25604","url":null,"abstract":"Lithium is a critical element in the transition to cleaner energy and is produced primarily in the Lithium Triangle (Argentina, Chile, and Bolivia) through the evaporative process. This process involves brine concentration through solar and wind evaporation in large ponds, where the salts are concentrated and eventually reach their solubility product and crystallize. Dynamic brine evaporation is crucial to designing and optimizing evaporation ponds, where predicting the evaporation rate is essential. In this work, the evaporation of simple synthetic brines composed individually of NaCl, KCl, or MgCl2 was experimentally studied in an evaporation chamber that allows monitoring of air temperature, humidity, brine temperature, and air velocity. The results show that brines with the same initial ionic strength but of different nature have similar evaporation rates under the same evaporation conditions. The evaporation rate decreases as the ionic strength increases. During evaporation, the ionic strength and brine density increase due to the concentration of the salts but remain constant when crystallization begins. A semi-empirical model was developed to correlate the evaporation rate of brines with their density, allowing this rate to be estimated with an error of less than 5% using easily measurable data. The model can be applied to natural brines from the lithium industry rich in NaCl, KCl, and MgCl2.","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 8","pages":"3704-3712"},"PeriodicalIF":1.6,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551328","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}

引用次数: 0

Effect of the presence or absence of a gas–liquid interface on the initiation of liquid phase hydrocarbon oxidation 气液界面的存在与否对液相烃类氧化起始的影响

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-19 DOI: 10.1002/cjce.25605

Muhammad N. Siddiquee, Arno de Klerk

{"title":"Effect of the presence or absence of a gas–liquid interface on the initiation of liquid phase hydrocarbon oxidation","authors":"Muhammad N. Siddiquee, Arno de Klerk","doi":"10.1002/cjce.25605","DOIUrl":"https://doi.org/10.1002/cjce.25605","url":null,"abstract":"The kinetic description often overlooks the initiation of liquid-phase hydrocarbon autoxidation because of the induction period. The start of oxidation, or oxidation at a low conversion rate, occurs largely in the bulk liquid, which remains near air-saturated, maintaining a minimal Hatta-number. At low conversion rates, the oxidation rate still depended on the gas–liquid interface area per unit liquid hydrocarbon volume under similar conditions. Mixing under otherwise similar conditions impacted product selectivity to oxygen and radical–radical additions at the same conversion level. These observations indicated that in an equilibrated reaction system, there was not an equal probability for initiation by O2 at the gas–liquid interface and in the bulk liquid. The purpose of the study was to determine if the presence of a gas–liquid interface affected the initiation of hydrocarbon autoxidation. Reactions were performed using air-saturated tetralin and indan at 130 and 140°C in systems with and without gas–liquid interface for 1 and 7 days. It was found that at the same conditions, the initiation rate was faster when a gas–liquid interface was present. It was further found that initial product selectivity to oxygen versus radical addition was lower when a gas–liquid interface was present. These results and those from previous studies can be explained if autoxidation initiates faster at the gas–liquid interface than in the bulk liquid at equilibrated conditions. In conclusion, oxygen at the gas–liquid interface has different initiation kinetics, but it does not affect the liquid-phase hydrocarbon oxidation mechanism.","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 8","pages":"3691-3703"},"PeriodicalIF":1.6,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551359","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}

引用次数: 0

Effect of structure parameters on solid particle erosion resistance coupled biomimetic anti-erosion functional surface: A CFD-DPM investigation 结构参数对固体颗粒抗侵蚀耦合仿生抗侵蚀功能表面的影响：CFD-DPM研究

IF 1.6 4区工程技术

Canadian Journal of Chemical Engineering Pub Date : 2025-01-19 DOI: 10.1002/cjce.25598

Yunshan Dong, Jialiang Guo, Kun Yang, Xiaodong Si, Hongyu Pan

引用次数: 0