Canadian Journal of Chemical Engineering最新文献

{"title":"Assuring optimality in surrogate-based optimization: A novel theorem and its practical implementation in pressure swing adsorption optimization","authors":"Carine Menezes Rebello,&nbsp;Erbet Almeida Costa,&nbsp;Antonio Santos Sánchez,&nbsp;Fredy Vides,&nbsp;Idelfonso B. R. Nogueira","doi":"10.1002/cjce.25512","DOIUrl":"https://doi.org/10.1002/cjce.25512","url":null,"abstract":"<p>Surrogate-based optimization has gained significant traction in several engineering fields, given its ability to handle complex systems without significant computational burdens. However, surrogate models are approximations and may have limitations, including the possibility of artificial minima. The main contribution of this work is the derivation of a robustness test that guarantees the optimality of surrogate-based optimization. The derivation of this metric is based on the universal approximation theorem. The full framework proposed in this work is also composed by a sampling sizing methodology to randomly select samples within a feasible operating region (FOR) resulting from the optimization population, reducing the computational cost of the analysis and avoiding biases in the robustness calculation. The applicability and importance of this methodology are demonstrated through a case study of a complex chemical process—a pressure swing adsorption (PSA) unit—which presents a high computational cost to solve optimization problems. The results highlight the need and importance of evaluating the optimality of surrogate-based optimization schemes.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 3","pages":"1036-1059"},"PeriodicalIF":1.6,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25512","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143118994","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}

{"title":"Facile synthesis of zeolitic-imidazole framework-67 (ZIF-67) for the adsorption of indigo carmine dye","authors":"Duygu Yanardag Kola,&nbsp;Serpil Edebali","doi":"10.1002/cjce.25503","DOIUrl":"https://doi.org/10.1002/cjce.25503","url":null,"abstract":"<p>This study aims to synthesize ZIF-67 for the adsorption of indigo carmine (I.C.) dye. ZIF-67 materials were synthesized under different conditions and the synthesis condition of ZIF-67 giving the best adsorption efficiency was obtained. In batch adsorption studies, pH, adsorbent amount, contact time, initial dye concentration, and temperature effects were investigated. Adsorption data were applied to Langmuir, Freundlich, and Temkin isotherm models. The best correlation value was obtained in Langmuir isotherm (<i>R</i>² = 0.999). The adsorption of I.C. dye with ZIF-67 occurred in a monolayer with a homogeneous surface according to Langmuir isotherm. The highest adsorption capacity value of ZIF-67 metal–organic framework for I.C. dye was found as 370 mg/g. Kinetic model studies were also performed and pseudo first-order, pseudo second-order, and intraparticle diffusion models were used. Pseudo second-order was the best fitting kinetic model to the data (<i>R</i>² = 0.997). Adsorption mechanisms of ZIF-67 for I.C. dye include electrostatic interaction, π–π interaction, and hydrogen bonding. Thermodynamic studies showed that I.C. removal by ZIF-67 is an exothermic and spontaneous process. ZIF-67 was characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscope (FE-SEM), and N₂ adsorption–desorption. The surface area of synthesized ZIF-67 was found 1493 m² g⁻¹. The salt concentration effect on I.C. adsorption by ZIF-67 was also investigated, showing an increase in adsorption capacities with increasing salt concentration. The regeneration study was carried out and after 5 cycles, the reduction in efficiency was 21%.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 5","pages":"2373-2385"},"PeriodicalIF":1.6,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836378","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":"Identifying design criteria for implementing inherent safety in chemical process industries part 2: Design mechanism","authors":"Zafirah Zakaria,&nbsp;Kamarizan Kidam,&nbsp;Mimi H. Hassim","doi":"10.1002/cjce.25497","DOIUrl":"https://doi.org/10.1002/cjce.25497","url":null,"abstract":"<p>Inherent safety concepts are common knowledge today, but accidents with similar characteristics do recur. Research on accident causes found that design errors, especially equipment failure, contribute the highest percentage of accidents. The development of inherent safety tools has been increasing at a positive pace, but only a small number of these tools are applicable to equipment design. Ample amounts of inherent safety tools are only suitable to be used at the early design stage. This amplifies the fact that inherent safety tools are still conceptual (e.g., change process routes, change safer materials). This is in contrast to the circumstances, where tools are expected to reinforce the inherent safety of equipment. The objective of this research is to identify design mechanism that can help trigger design thinking for implementation of inherent safety in the chemical process industry. To identify such a design mechanism, 526 cases were collected, and knowledge of the mechanism was extracted from design changes and presented in this research paper. The mechanisms were classified according to equipment and inherent safety keywords. The significant design mechanisms from the overall summation were listed (turbulence, change heat transfer fluid, continuous removal, large surface area, corrosion resistance, seamless joint, thin film, dividing wall, on demand, and double wall).</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 1","pages":"63-81"},"PeriodicalIF":1.6,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142862210","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":"Kinetics and catalysis: Direct mechanisms, autonomous reaction pathways, and the constitutive rate function","authors":"Masood Otarod","doi":"10.1002/cjce.25513","DOIUrl":"https://doi.org/10.1002/cjce.25513","url":null,"abstract":"<p>Rate functions of catalytic reactions are derived from direct mechanisms based on an adsorption theory and a kinetic mathematical model. Often, more than one direct mechanism corresponds to an overall chemical reaction. Since each direct mechanism can potentially produce a distinct rate function, it is likely that more than one independent rate function describes the rate of an overall reaction. This appears to be a fundamental property of the structure of the kinetics of heterogeneous catalysis and this article addresses this possibility via an examination of the independent direct mechanisms of the steam methane reforming and ammonia synthesis.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 5","pages":"2329-2337"},"PeriodicalIF":1.6,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836399","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":"Study on a reusable surfactant fracturing fluid and its application in Chang-6 oil reservoir","authors":"Lei Zhang,&nbsp;Xinyan He,&nbsp;Wenxue Jiang,&nbsp;Weichu Yu,&nbsp;Ying Zhang","doi":"10.1002/cjce.25491","DOIUrl":"https://doi.org/10.1002/cjce.25491","url":null,"abstract":"<p>In order to improve the utilization of fracturing fluid and reduce the environmental pollution risk in large-scale fracturing of oil reservoirs in Ordos Basin, a type of reusable surfactant fracturing fluid is developed. Its formula composition is 15 × 10⁻³ g/mL of the synthesized surfactant and 6 × 10⁻³ g/mL of composite acid. The synthesized surfactant is formed by using 13-docosaenoic acid, 3-dimethylaminopropylamine, sodium chloroacetate, and other raw materials. The dissolution time of the fracturing fluid is less than 1 min. Due to the reversible entanglement interactions between the surfactant micelles, it is a viscosity-elastic fracturing fluid with good sand carrying capacity. It can remain basically unchanged after shearing. The surfactant fracturing fluid can be automatically broken to contact with the crude oil in the oil reservoir. The breaking time can be controlled within 100 min by adjusting the concentration of crude oil. After gel breaking, the viscosity is less than 2.9 mPa ∙ s and the residue content is less than 1.25 mg/L. The interfacial tension of oil and the breaking liquid is below 0.1 mN/m. Subsequently, the field application of the fracturing fluid in N190 oil well has been carried out successfully. The backflow fluid of the surfactant fracturing fluid is successfully reused three times, and the performance of the fracturing fluid prepared in the field is basically consistent with the results of laboratory experiments. The fracturing construction by using the developed surfactant fracturing fluid can achieve a good fracturing stimulation effect and save a large amount of water resources.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 5","pages":"2148-2160"},"PeriodicalIF":1.6,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836401","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 non-noble metal plasmonic photothermal nanoparticle floating device for efficient interface water evaporation","authors":"Zilong Zeng,&nbsp;Xueyu Guo,&nbsp;Jie Liu,&nbsp;Jiarui Cheng,&nbsp;Tian Xie,&nbsp;Chaoqian Ai,&nbsp;Bing Luo,&nbsp;Lijing Ma,&nbsp;Dengwei Jing","doi":"10.1002/cjce.25506","DOIUrl":"https://doi.org/10.1002/cjce.25506","url":null,"abstract":"<p>The utilization of solar energy for steam generation presents an eco-friendly and sustainable strategy to address the challenges linked with water scarcity. Nevertheless, its widespread implementation in industrial production has been significantly hindered by the intrinsic limitation of low evaporation efficiency. Herein, we report a straightforward non-noble metal plasma photothermal floating device designed for interfacial water evaporation. Precisely, 3 mg of synthesized TiN nanoparticles was uniformly spin-coated on the carbonized wood dealt with hydrothermal reaction. The experimental results demonstrated a noteworthy photothermal water evaporation efficiency of 93.4% under the irradiation of 1 kW m⁻². Simultaneously, the device exhibited exceptional stable repeatability and salt resistance. The typical ion concentrations (Na⁺, K⁺, Ca²⁺, Mg²⁺) before and after seawater evaporation were monitored and found to have a remarkable ion removal rate of 99.57% ~ 99.94%, which is even lower than the national drinking water hygiene standards. We firmly believe that our work could offers valuable insights for the advancement of large-scale seawater desalination and crystalline salt recovery applications.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 5","pages":"2174-2190"},"PeriodicalIF":1.6,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836402","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":"Isothermal co-pyrolytic kinetics investigation of polystyrene/polymethyl methacrylate blended Bakelite","authors":"Pabitra Mohan Mahapatra,&nbsp;Narayan Gouda,&nbsp;Dipransu Pradhan,&nbsp;Prakash Chandra Mishra,&nbsp;Puspanjali Mishra,&nbsp;Achyut Kumar Panda","doi":"10.1002/cjce.25505","DOIUrl":"https://doi.org/10.1002/cjce.25505","url":null,"abstract":"<p>The widespread use of Bakelite, polystyrene (PS), and polymethylmethacralate (PMMA) has caused significant pollution, requiring advanced recycling methods. Pyrolysis, co-pyrolysis, and catalytic co-pyrolysis are key for recycling these wastes, necessitating kinetic studies and specific reactor designs of their thermal degradation. Isothermal thermogravimetric analysis at 300, 350, 400, 450, and 500°C was used to study thermal degradation kinetics, based on the non-isothermal degradation zone of Bakelite. The batch pyrolysis of discarded Bakelite and PS/PMMA–Bakelite blends was conducted at 450°C. The thermal decomposition of Bakelite and its blends increases with higher isothermal pyrolytic temperatures. The addition of PS or PMMA to Bakelite substantially accelerates its thermal decomposition. The maximum weight loss of Bakelite, PS–Bakelite, and PMMA–Bakelite are 55%, 96.75%, and 89.51% at 500°C, respectively. The kinetic analysis is crucial for designing specific reactors, utilizing the D₁-diffusion-based method for Bakelite, with an activation energy (<i>Ea</i>) of 17.178 kJ/mol and Arrhenius constant (A) of 0.095 min⁻¹. The A₂- and A₃-Avrami–Erofeyev methods explain the isothermal degradation of PS–Bakelite and PMMA–Bakelite blends, with activation energies of 9.031 and 12.59 kJ/mol, and Arrhenius constants of 0.056 and 0.075 min⁻¹, respectively. The co-pyrolysis of PS–Bakelite yields the highest condensable products (66.76%) and needs the longest reaction time (320 min). The Fourier transform Infrared (FTIR) and gas chromatography–mass spectrometry (GC–MS) analyses confirm the presence of alkanes, cycloalkanes, alkenes, cycloalkenes, aromatic hydrocarbons, and oxygenated compounds in the pyrolytic oils. This study provides unique kinetic parameters and product analyses, showing effects of blending on the decomposition rates and yields valuable compounds, advancing recycling technologies.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 5","pages":"2338-2354"},"PeriodicalIF":1.6,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836400","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":"CrMn-based catalysts for oxidative dehydrogenation of propane to propylene with CO2","authors":"Armin Moniri,&nbsp;Sandeep Badoga,&nbsp;Mohamed Ali,&nbsp;Jinwen Chen","doi":"10.1002/cjce.25481","DOIUrl":"https://doi.org/10.1002/cjce.25481","url":null,"abstract":"<p>The paper investigates the catalytic oxidative dehydrogenation of propane with carbon dioxide (ODH-CO₂) as a promising route for propylene production, an avenue yet to be commercially developed. Utilizing the incipient wetness catalyst preparation method, CrMn catalysts were synthesized on three supports (γ-Al₂O₃, ZSM-5, and SBA-15). Comprehensive characterization through Brunauer–Emmett–Teller (BET) analysis, X-ray diffraction (XRD), thermogravimetric analysis (TGA), transmission electron microscopy (TEM)/scanning transmission electron microscopy (STEM)-energy-dispersive X-ray spectroscopy (EDS), and hydrogen temperature programmed reduction (H₂-TPR) was conducted to comprehend catalyst behaviour. Among the six catalysts tested, Cr/SBA-15 was exhibited as the best performer, achieving propane and CO₂ conversions of 36.2% and 14.1%, respectively, with a propylene selectivity of 33.4%. Over a 50-h time on stream (TOS), it demonstrated gradual declines in conversions while retaining 75% of initial values. The incorporation of manganese as a promoter effectively mitigated coke formation, albeit with slight reductions in propane conversion and propylene selectivity.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 5","pages":"2297-2310"},"PeriodicalIF":1.6,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25481","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836297","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}

{"title":"Novel deep-learning model for chemical process fault detection based on DCW transformer","authors":"Ying Xie,&nbsp;Fanchao Hu,&nbsp;Yuan Zhu","doi":"10.1002/cjce.25507","DOIUrl":"https://doi.org/10.1002/cjce.25507","url":null,"abstract":"<p>In this study, a double-channel convolutional neural network and weighted (DCW) transformer model is proposed to address the problem of insufficient extraction of local information and no attention to channel-step information in the traditional transformer model. First, a double-channel information extraction method is proposed, so both the channel-step and time-step information achieve attention; second, the local information in the time and channel dimension of the data is extracted from deep and multiple scales, improving the feature extraction capability for local information; third, the long distance dependency relationship of the data is preserved by the attention mechanism, hence, the global correlation of the data is extracted effectively; finally, using the Gumbel-SoftMax function, the weights of the time-step and channel-step feature information are assigned, so the extracted feature information has been optimized. The proposed method was applied for the penicillin fermentation process to verify its efficacy. Experimental results show that the proposed method achieved a better fault detection accuracy, outperforming the existing models. Further ablation experiments were conducted to demonstrate the effectiveness of each component of the proposed model.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 5","pages":"2263-2280"},"PeriodicalIF":1.6,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836296","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 microscale displacement characteristics of supercritical CO2 fracturing in shale oil reservoirs","authors":"Xiaodong Dai","doi":"10.1002/cjce.25502","DOIUrl":"https://doi.org/10.1002/cjce.25502","url":null,"abstract":"<p>The great success of CO₂ fracturing in shale oil reservoirs has not only increased the production capacity of shale oil, but also effectively carried out CO₂ geological storage. In this paper, focusing on the microscale displacement characteristics of CO₂ fracturing in shale oil reservoirs, first, the impact of oil saturation and gas invasion pressure on gas invasion is discussed. Then, the coupling control mode of oil saturation/pressure for various mechanisms of gas invasion is revealed. Results show that: (a) at lower displacement, the rock core has a lower initiation pressure and is fractured in a shorter period of time; (b) at higher displacement, the required fracturing time is longer and the fracturing pressure increases, but the fracturing effect is good and it is easy to form complex fracture networks; and (c) under higher pressure conditions, more complex fractures can be formed, which is beneficial for reservoir transformation and production improvement.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 5","pages":"2406-2411"},"PeriodicalIF":1.6,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143836295","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}