Zhengsong Wang, Xiaochen Li, Xue Wang, Yanqiu Yang, Ge Guo, Meng Han
{"title":"An online monitoring-based adaptive quality control framework for a continuous pharmaceutical cyber-physical system","authors":"Zhengsong Wang, Xiaochen Li, Xue Wang, Yanqiu Yang, Ge Guo, Meng Han","doi":"10.1002/cjce.25687","DOIUrl":"https://doi.org/10.1002/cjce.25687","url":null,"abstract":"<p>In Pharma 4.0, continuous pharmaceutical manufacturing is pivotal for quality control-driven pharmaceutical development. Pharmaceutical quality control (PQC) in a continuous pharmaceutical cyber–physical system (PCPS) plays a crucial role in ensuring the quality of drug products. However, variations or disturbances in raw materials, equipment conditions, or environmental factors may lead to deviations in critical quality attributes of drugs from their acceptable ranges. This article introduces a generalized online monitoring-based adaptive PQC framework for a continuous PCPS, structured around two phases—variational autoencoder-based online process monitoring and data and knowledge fusion driven adaptive PQC based on a fuzzy-rules emulated network. Next, a case study is presented to preliminarily explore the application of the proposed framework in a simulated pharmaceutical feeding–blending-based twin screw granulation process. Finally, a series of simulation experiments are designed to verify the feasibility and effectiveness of the simulation modelling and the proposed PQC framework.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 10","pages":"5012-5027"},"PeriodicalIF":1.9,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145038449","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}
Nayeli Gutiérrez-Casiano, Eduardo Hernández-Aguilar, Juan M. Méndez-Contreras
{"title":"Biodiesel production as an alternative for energetic valorization of biomass from poultry wastewater through Chlorella vulgaris and Novozyme 435","authors":"Nayeli Gutiérrez-Casiano, Eduardo Hernández-Aguilar, Juan M. Méndez-Contreras","doi":"10.1002/cjce.25681","DOIUrl":"https://doi.org/10.1002/cjce.25681","url":null,"abstract":"<p>This experiment used valorized biomass of <i>Chlorella vulgaris</i> obtained by a culture in poultry wastewater to successfully produce biodiesel through enzymatic transesterification with 1% Novozyme 435 (<i>Candida antarctica</i> lipase B, CAL B). To increase % biodiesel conversion utilizing valorized biomass lipids, the study sought to determine the ideal temperature (35°C and 45°C) and alcohol:oil molar ratio (6:1 and 9:1) for the transesterification reaction (two-factor experimental design with two quantitative levels). It was found that the temperature of 35°C and the molar ratio of 9:1 are the temperature and molar ratio conditions that improve the conversion to biodiesel, achieving a % biodiesel conversion of 82% in 8 h of reaction (<i>p</i> < 0.05). Fatty acid methyl esters (FAME) were characterized by gas chromatography demonstrating the production of biodiesel, the parameters acid number, density, cloud point, refractive index, and flash point complied with ASTM standards, the rheological behaviour of the biodiesel obtained was Newtonian (<i>n</i> = 1).</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 10","pages":"4681-4693"},"PeriodicalIF":1.9,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145038490","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 the distribution of critical liquid bridge length in droplet formation under dripping regime in an annular shear flow field","authors":"Yannan Sun, Mingyang Zhang, Jie Cheng, Shujuan Ma, Wenjie Zhu, Yaojun Guo, Jinhui Zhu","doi":"10.1002/cjce.25680","DOIUrl":"https://doi.org/10.1002/cjce.25680","url":null,"abstract":"<p>A simplified experimental device was used to simulate the annular shear flow field in a liquid–liquid cyclone reactor, and the formation and break up behaviour of the liquid bridge during the droplet formation under the dripping regime was investigated. Deionized water and fluorescent oil were used as continuous phase and dispersed phase, respectively. The formation and break up process of dispersed phase liquid bridge in the annular simplified experimental device in the dripping regime was captured by camera. The impacts of the ratio of continuous phase velocity to dispersed phase velocity (Vr) and the capillary number (Ca) on the mean critical liquid bridge length (MBL) were analyzed. Furthermore, the functional relationships between MBL and operating parameters (Vr and Ca) under the dripping regime were obtained. The results indicate that the process of droplet formation is mainly affected by viscous force, shear force and surface tension. MBL increases firstly and then decreases with the increase of the two-phase velocity ratio in dripping regime. Additionally, with the increase of capillary number, MBL decreases.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 10","pages":"5159-5168"},"PeriodicalIF":1.9,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145038499","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":"Prediction control of CO2 capture in coal-fired power plants based on ERIME-optimized CNN-LSTM-multi-head-attention","authors":"Minan Tang, Chuntao Rao, Tong Yang, Zhongcheng Bai, Yude Jiang, Yaqi Zhang, Wenxin Sheng, Zhanglong Tao, Changyou Wang, Mingyu Wang","doi":"10.1002/cjce.25677","DOIUrl":"https://doi.org/10.1002/cjce.25677","url":null,"abstract":"<p>Predicting CO<sub>2</sub> concentration in post-combustion carbon capture (PCC) systems is challenging due to complex operating conditions and multivariate interactions. This study proposes an enhanced RIME algorithm (ERIME) optimization-based convolutional neural network (CNN)-long short-term memory (LSTM)-multi-head-attention (ECLMA) model to improve prediction accuracy. The local outlier factor (LOF) algorithm was used to remove noise from the data, while mutual information (MI) determined time lags, and the smoothed clipped absolute deviation (SCAD) method optimized feature selection. The CNN-LSTM-multi-head-attention model extracts meaningful features from time series data, and parameters are optimized using the ERIME algorithm. Using a simulated dataset from a 600 MW supercritical coal-fired power plant, the results showed that after LOF outlier removal, root mean square error (RMSE) and mean absolute error (MAE) improved by 10%–13%. Post-MI delay reconstruction reduced RMSE to 0.00999 and MAE to 11.6937, with <i>R</i><sup>2</sup> rising to 0.9929. After variable selection, RMSE and MAE further reduced to 0.00907 and 9.9697, with <i>R</i><sup>2</sup> increasing to 0.9983. After ERIME optimization, the ECLMA model outperformed traditional models, reducing RMSE and MAE by up to 91.55% and 84.94%, respectively, compared to CNN, and by 85.91% and 69.47%, respectively, compared to LSTM. These results confirm the model's superior accuracy and stability.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 10","pages":"4904-4924"},"PeriodicalIF":1.9,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145038500","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":"Effect of the Co(II)@AC catalyst with the activated carbon modified by zinc chloride as a carrier on the synthesis of 1-(4-chlorophenyl)-1H-pyrazol-3-ol from the oxidation of 1-(4-chlorophenyl)-pyrazolidin-3-one by oxygen","authors":"Yu-cheng Jiang, Bao-guang Zhu, Xiang-li Long","doi":"10.1002/cjce.25667","DOIUrl":"https://doi.org/10.1002/cjce.25667","url":null,"abstract":"<p>The oxidation of 1-(4-chlorophenyl)-pyrazolidin-3-one to 1-(4-chlorophenyl)-1H- pyrazol-3-ol by air can be accelerated by the Co(II)@AC catalyst prepared by loading Co(II) on activated carbon with wet impregnation method. ZnCl<sub>2</sub> solution has been used to treat activated carbon to ameliorate the catalytic ability of Co(II)@AC catalyst. The experiments indicate that the optimal catalyst is made by immersing activated carbon in 0.7 mol/L ZnCl<sub>2</sub> solution at 50°C for 6 h with a liquid/solid ratio of 30/1 (mL/g) followed being calcined at 700°C for 5 h at a heating rate of 5°C/min under N<sub>2</sub> protection. The 1-(4-chlorophenyl)-1H-pyrazol-3-ol concentration catalyzed by the catalyst loaded on the best carbon reaches 0.01953 kg/L, which is 27.56% higher than that catalyzed by the catalyst loaded on the original carbon. The characterization results manifest that the modification with ZnCl<sub>2</sub> enriches the porous structure and increases the acidic groups on the surface of activated carbon. The conversion of 1-(4-chlorophenyl)-pyrazolidin-3-one is mainly determined by the physical structure of the activated carbon while the selectivity to 1-(4-chlorophenyl)-1H- pyrazol-3-ol is largely affected by the chemical characteristics of the activated carbon.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 9","pages":"4426-4444"},"PeriodicalIF":1.9,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767841","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}
Ahmad A. Manzoor, Omar M. Rahman, Roberto Tarantino, Peter Zastawny, Stephen D. Waldman, Dae Kun Hwang
{"title":"Hydrogel microwells with customizable bottom design: A one-step approach to spheroid formation","authors":"Ahmad A. Manzoor, Omar M. Rahman, Roberto Tarantino, Peter Zastawny, Stephen D. Waldman, Dae Kun Hwang","doi":"10.1002/cjce.25674","DOIUrl":"https://doi.org/10.1002/cjce.25674","url":null,"abstract":"<p>Conical microwells featuring a variety of bottom-shape features have received increased recognition because of their enhanced surface characteristics that improve the in vitro-in vivo correlation in a wide range of biological applications, such as in three-dimensional cell culture models, specifically cell spheroidal formation, and drug screening. Conventional and microfluidics-based emerging fabrication techniques for the formation of such conically shaped microwells with uniform spatiotemporal control require complex multistep procedures and costly equipment, or they face challenges in developing slanted V-shaped well bottoms. Herein, we developed a microfluidics-based method to produce three-dimensional microwells with slanted V-shaped well bottoms by exploring the 3D-shape tuning ability using a non-uniform photolithographic technique (NUPL), through a variation in the UV light intensity profile induced by the presence of magnetic nanoparticles, which makes an opaque precursor solution. We also characterize the change in the microwell's bottom profile through variation of UV dose. Finally, the effects of conical shape tuning parameters, that is, the non-uniformity of UV light intensity and aspect ratio (diameter/height), on the microwell depth and bottom shape is investigated. Using NUPL, we demonstrate the facile and single-step synthesis of conical microwells with highly slanted sidewalls that are used to create chondrocyte spheroids as a proof of concept.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 10","pages":"4647-4660"},"PeriodicalIF":1.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25674","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145038103","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":"Study of potassium salts on sawdust pyrolysis: Kinetics and thermodynamic parameters using isoconversional and Criado's master plot methods","authors":"Milad Ja Lilian, Quan (Sophia) He, Yulin Hu","doi":"10.1002/cjce.25669","DOIUrl":"https://doi.org/10.1002/cjce.25669","url":null,"abstract":"<p>In this study, the effect of potassium salts on sawdust pyrolysis with respect to kinetics and thermodynamic parameters was investigated. Kinetic triplet (activation energy, pre-exponential factor, and reaction mechanism) and thermodynamic properties (enthalpy change, entropy change, and Gibbs free energy) were determined using isoconversional and Criado's master plot methods, respectively. Thermogravimetric analysis (TGA) was carried out in N<sub>2</sub> environment at 5, 25, and 50°C/min from 30 to 800°C. A series of analytical techniques were utilized to fully characterize the raw materials. Analysis of TGA data was performed using isoconversional model. The results suggested that the addition of potassium carbonate showed catalytic effect on the thermal degradation of sawdust by affecting the kinetic triplets and thermodynamic properties. However, the presence of potassium chloride in sawdust pyrolysis is a complex and either promoting or deterring effect was primarily dependent on the degree of conversion.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 9","pages":"4184-4204"},"PeriodicalIF":1.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144767981","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}
Guanwen Chen, Bo Yuan, Ruolin Wang, Min Yang, Zhanke Wang, Guangxu Zhang
{"title":"NHPI catalyzed air oxidation of cyclohexanone: Mechanism and kinetics study","authors":"Guanwen Chen, Bo Yuan, Ruolin Wang, Min Yang, Zhanke Wang, Guangxu Zhang","doi":"10.1002/cjce.25679","DOIUrl":"https://doi.org/10.1002/cjce.25679","url":null,"abstract":"<p>As an important monomer material for synthesizing polycaprolactone, ε-caprolactone (ε-CL), is currently produced through the Baeyer–Villiger oxidation of cyclohexanone. As a green and promising process to produce ε-CL, oxidizing cyclohexanone with air in the presence of sacrificial agents has attracted extensive attention from academia and industry. However, the slow reaction kinetic and the weak oxidation capacity of air limits the application of this green technology. Herein, we used N-hydroxyphthalimide (NHPI) as a higdhly efficient homogeneous catalyst for the air oxidation of cyclohexanone. Through investigating the influence of reaction conditions such as temperature, gas velocity, aldehyde-ketone ratio, and solvent ratio on the conversion rate of cyclohexanone and selectivity of ε-CL, an optimum reaction condition was obtained and the ε-caprolactone production rate is as high as 3.43 mmol/gcat/min with a selectivity of 90%. The reaction mechanism is investigated through in-situ UV–visible spectra, electron paramagnetic resonance (EPR) spectra, and starch/KI experiment, and a plausible mechanistic mode involving three pivotal reactions was proposed. The dynamic model was constructed to validate the proposed mechanism and provide good predictions for the actual reaction rate. This work provides meaningful insights into NHPI-catalyzed air oxidation of cyclohexanone, and the constructed kinetic model provides theoretical guidance for scale-up processes.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 10","pages":"5028-5038"},"PeriodicalIF":1.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145038104","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":"Dynamic soft sensor modelling based on data imputation and spatiotemporal attention","authors":"Shiwei Gao, Pengxue Yun, Wenbo Yang, Jing Yan","doi":"10.1002/cjce.25676","DOIUrl":"https://doi.org/10.1002/cjce.25676","url":null,"abstract":"<p>Soft sensor technology is essential for achieving precise control and improving product quality in industrial processes, with broad application potential in chemical engineering as well. In industrial soft sensor modelling, while most models can capture the nonlinear and dynamic characteristics of time series, they often neglect the potential influence of spatial features. Additionally, due to factors such as signal instability, equipment failure, and sensor data packet loss, missing values are common in industrial data, which can compromise model accuracy. To address these issues, this paper proposes a soft sensor modelling framework based on a spatiotemporal attention network for quality prediction with missing data. The method first utilizes a generative adversarial imputation network (GAIN) to impute in the missing data. Then, a bidirectional long short-term memory (BiLSTM) encoder integrated with a spatial attention module is employed to more precisely capture spatial correlations among variables in industrial processes, enhancing the capacity of the model to handle complex spatial dependencies. Furthermore, a temporal attention mechanism is incorporated to strengthen the extraction of dynamic dependencies across different time steps, further improving the ability of the model to capture nonlinear and dynamic features in industrial processes. Extensive experiments on debutanizer and steam flow processes validate the superior performance of the proposed method, laying a foundation for its application in chemical engineering and other complex industrial processes.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 10","pages":"4751-4773"},"PeriodicalIF":1.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145038105","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":"Controlling polymer addition flowrate to improve the flocculation of kaolinite suspensions as models for oil sands mature fine tailings","authors":"Kilian Slöetjes, João B. P. Soares","doi":"10.1002/cjce.25665","DOIUrl":"https://doi.org/10.1002/cjce.25665","url":null,"abstract":"<p>Oil sands exploration generates large volumes of mature fine tailings—mixtures of clays, water, and residual bitumen—that remain stable even after settling in tailings ponds for many years. Commonly used flocculants, such as neutral and anionic polyacrylamides, destabilize the colloidal interactions between the clay particles, but unfortunately make flocs that break under shear and retain water. We grafted poly[(vinylbenzyl)trimethyl ammonium chloride] cationic chains onto amylopectin backbones to make a cationic flocculant with controlled hydrophobicity and combined it with a commercial ultra-high molecular weight anionic polyacrylamide to investigate how the addition flowrates and dosages of both polymers affected the flocculation of kaolinite suspensions. The addition flowrate of the cationic graft polymer changed the capillary suction time of the sediments and turbidity of the supernatant, while the addition flowrate of the anionic polymer affected the solids content of the sediments. The best conditions to capture fines and dewater the sediments were low dosages of anionic polymer and high dosages of cationic polymer. Focused beam reflectance measurements confirmed that the addition flowrate of each polymer affected the capture of clay particles, floc size, and floc shear resistance. A minimum addition flowrate of the cationic polymer was needed to destabilize the suspension and form primary flocs, which could then grow through combined charge neutralization and bridging with the anionic polymer to form shear-resistant and large flocs in the range from 500 to 1000 μm.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 10","pages":"4786-4802"},"PeriodicalIF":1.9,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25665","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145037596","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}