Lichao Ge, Can Zhao, Yang Wang, Zhifu Qi, Ruikun Wang, Qianqian Yin, Yuli Zhang, Chang Xu
{"title":"Effects of cellulose addition on sodium lignosulfonate pyrolysis: Product distribution and formation pathway","authors":"Lichao Ge, Can Zhao, Yang Wang, Zhifu Qi, Ruikun Wang, Qianqian Yin, Yuli Zhang, Chang Xu","doi":"10.1002/cjce.25450","DOIUrl":"10.1002/cjce.25450","url":null,"abstract":"<p>Copyrolysis of lignin and cellulose can effectively improve pore structure and optimize product distribution. Therefore, the distribution, characteristics, components, and formation mechanism of the copyrolysis products of cellulose and sodium lignosulfonate were studied. The pyrolysis of sodium lignosulfonate was effectively inhibited by cellulose, especially when the amount of doped cellulose was 40 wt.%, and tubes presumed to be carbon nanotubes were prepared under these conditions. For bio-oil, the contents of phenol, 2-methoxy-, and 4-aminopyridine increased with decreasing amounts of doped cellulose. However, cellulose substantially reduced the content of 2-furanmethanol. H<sub>2</sub>, CO<sub>2</sub>, CO, and CH<sub>4</sub> were the main components of the biogas; among them, H<sub>2</sub> was the most abundant component in the biogas. Considering the characteristics of the three-phase product, a higher C content in the volatiles (especially bio-oil) can promote the formation of carbon nanotubes. Finally, the formation mechanism and interactions of the main components in the volatiles of cellulose and sodium lignosulfonate were proposed.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 3","pages":"1285-1294"},"PeriodicalIF":1.6,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931507","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}
Mohammad Amin Moradkhani, Ali Reza Miroliaei, Nasim Ghasemi, Seyyed Hossein Hosseini, Mikel Tellabide, Martin Olazar
{"title":"Minimum spouting velocity of fine particles in fountain confined conical spouted beds using machine learning and least square fitting approaches","authors":"Mohammad Amin Moradkhani, Ali Reza Miroliaei, Nasim Ghasemi, Seyyed Hossein Hosseini, Mikel Tellabide, Martin Olazar","doi":"10.1002/cjce.25429","DOIUrl":"10.1002/cjce.25429","url":null,"abstract":"<p>The present study concerns the development of new models to estimate the minimum spouting velocity (<i>U</i><sub>ms</sub>) in various configurations of fountain-confined conical spouted beds (FC-CSBs) with fine particles. Existing literature correlations were found to be inaccurate for FC-CSBs. Therefore, smart modelling techniques were employed to design more accurate predictive tools. The radial basis function (RBF) approach provided the best predictions for systems without draft tubes as well as those with open-sided draft tubes. Additionally, the Gaussian process regression (GPR) approach yielded the best predictions for systems with nonporous draft tubes. The mean absolute percentage error (MAPE) values for the testing phase were 5.80%, 5.67%, and 5.59%, respectively. These models consider how bed shape and particle properties affect <i>U</i><sub>ms</sub>. The sensitivity analysis was conducted to determine the factors with more importance in controlling <i>U</i><sub>ms</sub>. Finally, simpler correlations were derived for <i>U</i><sub>ms</sub> prediction in different FC-CSB configurations, with accuracy around 12% error.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 2","pages":"880-898"},"PeriodicalIF":1.6,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931455","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":"Leveraging neural networks to estimate parameters with confidence intervals","authors":"Nigel Mathias, Lauren Weir, Brandon Corbett, Prashant Mhaskar","doi":"10.1002/cjce.25438","DOIUrl":"10.1002/cjce.25438","url":null,"abstract":"<p>This manuscript presents a proof of concept for the estimation of parameters in a bioprocess while providing reliable confidence intervals. Specifically, Bayesian inference is used to estimate the uncertainty in the prediction of a parameter due to the presence of measurement noise in the process. The resultant joint probability distribution is utilized to infer the confidence interval of the resultant estimates. This method is numerically applied using a technique known as nested sampling. This algorithm iteratively samples parameters from a pre-determined range of values to compare model predictions and obtain a probability density function. One challenge typically associated with this algorithm is in the determination of the prediction error, especially when a high-fidelity dynamic model is being utilized. For the motivating example in the present manuscript, where a high-fidelity simulated bioprocess is being considered, the use of the high-fidelity model provided by Sartorius AG as part of the estimation algorithm poses computational challenges. To overcome this challenge, a universal approximator such as a parameterized neural network is used. This neural network is designed to simulate the results of the first principles model (while also capturing the dependence of the model parameters on the output), and once trained can provide near instantaneous results making the use of nested sampling computationally tractable for the application. Simulation results demonstrate the feasibility and capability of the proposed approach.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 2","pages":"666-678"},"PeriodicalIF":1.6,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25438","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931454","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}
Pranita A. Karekar, Vishwanath H. Dalvi, Chandrakanth R. Gadipelly, Ashwin W. Patwardhan
{"title":"Hydrodynamics and mass transfer studies on plate-type microchannel reactor for liquid–liquid systems","authors":"Pranita A. Karekar, Vishwanath H. Dalvi, Chandrakanth R. Gadipelly, Ashwin W. Patwardhan","doi":"10.1002/cjce.25441","DOIUrl":"10.1002/cjce.25441","url":null,"abstract":"<p>This work reports hydrodynamic and mass transfer studies on a novel microreactor that can passively break up liquid–liquid slugs using judiciously placed internals. The reactors were fabricated in stainless steel (SS-316 L, hereafter SS) and PMMA (hereafter acrylic). The performance of both is comparable to the current state-of-the-art in microreactor technologies. A separated flow model is proposed to estimate the pressure drop for two-phase flows, with a mean absolute error (MAE) of 15.44% in SS and 19.83% in acrylic, respectively. Pulse tracer experiments were performed for residence time distribution (RTD) studies. They are fitted to a model for the prediction of RTD for single and two-phase flows. The results obtained from mass transfer experiments show that the volumetric mass transfer coefficient (<span></span><math>\u0000 <mrow>\u0000 <msub>\u0000 <mi>k</mi>\u0000 <mi>L</mi>\u0000 </msub>\u0000 <mi>a</mi>\u0000 </mrow></math>) in the case of SS reactor is, on average, 2.4 times higher than acrylic. A correlation is developed for estimating the <span></span><math>\u0000 <mrow>\u0000 <msub>\u0000 <mi>k</mi>\u0000 <mi>L</mi>\u0000 </msub>\u0000 <mi>a</mi>\u0000 </mrow></math> based on total velocity and phase fraction, providing better fits than the models based on energy dissipation. All studies show that wall characteristics significantly impact the hydrodynamics and mass transfer phenomena since the pressure drop and the <span></span><math>\u0000 <mrow>\u0000 <msub>\u0000 <mi>k</mi>\u0000 <mi>L</mi>\u0000 </msub>\u0000 <mi>a</mi>\u0000 </mrow></math> are greater in (the rougher) SS than in acrylic.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 2","pages":"964-980"},"PeriodicalIF":1.6,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931511","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":"Integrating autoencoder with Koopman operator to design a linear data-driven model predictive controller","authors":"Xiaonian Wang, Sheel Ayachi, Brandon Corbett, Prashant Mhaskar","doi":"10.1002/cjce.25445","DOIUrl":"10.1002/cjce.25445","url":null,"abstract":"<p>Non-linear model predictive control (NMPC) is increasingly seen as a promising tool to tackle the problem of handling process nonlinearity and achieve optimal operation. One roadblock to NMPC implementation, however, is the lack of a good model, whether a first-principles-based or a non-linear data-driven-based model such as artificial neural networks (ANN). This manuscript proposes a data-driven modelling approach that integrates an autoencoder-like network and dynamic mode decomposition (DMD) methods to result in a non-linear modelling technique where the non-linearity in the model stems from the modelling of the measured variables. The proposed method results in a semi-linear state-space model where the mapping between the model state and outputs are non-linear (via the autoencoder-like network) while the model dynamics are linear. In the subsequent model predictive controller (MPC) implementation, the autoencoder translates setpoints and outputs to the states of a state space model. The proposed approach is illustrated using a continuously stirred tank reactor simulation example. For comparison, a linear MPC and non-linear MPC based on a traditional neural network (NN) model, a classic Koopman operator-based MPC, and (to benchmark) a perfect model-based NMPC are implemented and tested on several setpoint tracking tasks. The proposed MPC design outperforms the other data driven MPCs, and has similar performance as the first-principles-based NMPC while requiring less computational time and without requiring first principles knowledge.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 3","pages":"1099-1111"},"PeriodicalIF":1.6,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25445","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931508","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}
Fisseha A. Bezza, Hendrik G. Brink, Evans M. N. Chirwa
{"title":"Selective and efficient removal of phosphate from aqueous solution using activated carbon-supported Mg–Fe layered double oxide nanocomposites","authors":"Fisseha A. Bezza, Hendrik G. Brink, Evans M. N. Chirwa","doi":"10.1002/cjce.25440","DOIUrl":"10.1002/cjce.25440","url":null,"abstract":"<p>In the face of the continuous development of novel adsorbents, developing robust adsorbents with high efficiency, strong phosphate selectivity, high regenerability, and cost effectiveness is a scientific challenge. In the present study, an activated carbon-supported MgFe<sub>2</sub>O<sub>4</sub>-layered double hydroxide (AC@ MgFe<sub>2</sub>O<sub>4</sub>-LDH) derived Mg–Fe layered double oxide (AC@ MgFe<sub>2</sub>O<sub>4</sub>-LDO) nanocomposite was synthesized at various temperatures and its potential application for phosphate adsorption was investigated. The nanocomposite exhibited a hierarchical mesoporous structure with a Brunauer–Emmett–Teller (BET) specific surface area of 193 m<sup>2</sup>/g and a narrow per-size distribution of ~2 nm. AC@MgFe<sub>2</sub>O<sub>4</sub>-LDO exhibited a high point of zero charge (pH<sub>pzc</sub>) value of 9.8 and robust phosphate adsorption potential over a wide pH range of 4–9 due to its high pH buffering capacity. The effects of adsorbent dose, layered double hydroxides (LDH) calcination temperature, initial phosphate concentration, contact time, and temperature on the phosphate adsorption capacity of the adsorbent were investigated. In the present study, up to 99.0% removal of phosphate was achieved at a 4 g/L adsorbent dosage in 4 h at pH 7 and 30°C. An adsorption kinetics study revealed that the adsorption of phosphate by AC@MgFe<sub>2</sub>O<sub>4</sub>-LDO reached equilibrium within 240 min, with the kinetic experimental data fitting well with pseudo-first-order kinetics (<i>r</i><sup>2</sup> >0.99). The Langmuir adsorption isotherm model fit the experimental data well, with a maximum adsorption capacity of 25.81 mg/g. The adsorbent displayed strong phosphate selectivity in the presence of competing anions, and the study demonstrated that AC@MgFe<sub>2</sub>O<sub>4</sub>-LDO has promising potential for efficient phosphate adsorption over a wide pH range.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 2","pages":"524-542"},"PeriodicalIF":1.6,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25440","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931510","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":"Issue Highlights","authors":"","doi":"10.1002/cjce.24997","DOIUrl":"10.1002/cjce.24997","url":null,"abstract":"","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"102 9","pages":"2963"},"PeriodicalIF":1.6,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931607","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}
Jianwen Wang, Fei Chu, Jianyu Zhao, Wenchao Bao, Fuli Wang
{"title":"Updating strategy of safe operation control model for dense medium coal preparation process based on Bayesian network and incremental learning","authors":"Jianwen Wang, Fei Chu, Jianyu Zhao, Wenchao Bao, Fuli Wang","doi":"10.1002/cjce.25418","DOIUrl":"10.1002/cjce.25418","url":null,"abstract":"<p>The effectiveness of control decisions provided by the safe operation control model for the dense medium coal preparation process may decline due to its inability to adapt to changing working conditions. To address this issue, this paper investigates a safe operation control model update strategy based on Bayesian network and incremental learning. This strategy can update the model structure and parameters according to different conditions, ensuring the effectiveness of the updated model. Considering that the old model has effective information to explain the new working conditions, the Bayesian network structure update learning method based on incremental learning is proposed. This method retains the components of the old model that can describe the joint probability distribution of the sampled data under the new working conditions while updating the remaining structure. This approach improves the efficiency of model updating. The simulation results show that the updated model obtained by the proposed method can effectively deal with new abnormal conditions.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 2","pages":"729-743"},"PeriodicalIF":1.6,"publicationDate":"2024-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931458","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":"Physics-informed neural networks guided modelling and multiobjective optimization of a mAb production process","authors":"Md Nasre Alam, Anurag Anurag, Neelesh Gangwar, Manojkumar Ramteke, Hariprasad Kodamana, Anurag S. Rathore","doi":"10.1002/cjce.25446","DOIUrl":"10.1002/cjce.25446","url":null,"abstract":"<p>In this paper, we aim to correlate various process and product quality attributes of a mammalian cell culture process with process parameters. To achieve this, we employed physics-informed neural networks that solve the governing ordinary differential equations comprising independent variables (inputs- time, flow rates, and volume) and dependent variables (outputs- viable cell density, dead cell density, glucose concentration, lactate concentration, and monoclonal antibody concentration). The proposed model surpasses the prediction and accuracy capabilities of other commonly used modelling approaches, such as the multilayer perceptron model. It has higher <i>R</i>-squared (<i>R</i><sup>2</sup>), lower root mean square error, and lower mean absolute error than the multilayer perceptron model for all output variables (viable cell density, viability, glucose concentration, lactate concentration, and monoclonal antibody concentration). Furthermore, we incorporate a Bayesian optimization study to maximize viable cell density and monoclonal antibody concentration. Single objective optimization and weighted sum multiobjective optimization were carried out for viable cell density and monoclonal antibody concentration in separate (single objective optimization) and combined (multiobjective optimization) forms. An increment of 13.01% and 18.57% for viable cell density and monoclonal antibody concentration, respectively, were projected under single objective optimization, and 46.32% and 67.86%, respectively, for multiobjective optimization as compared to the base case. This study highlights the potential of the physics-informed neural networks-based modelling and optimization of upstream processing of mammalian cell-based monoclonal antibodies in biopharmaceutical operations.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 3","pages":"1319-1334"},"PeriodicalIF":1.6,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141884319","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}
Ning Yang, Zundong Xiao, Hanyang Liu, Junan Jiang, Fei Liu, Xiaoxia Yang, Rijie Wang
{"title":"Effect of annulus ratio on the residence time distribution and Péclet number in micro/milli-scale reactors","authors":"Ning Yang, Zundong Xiao, Hanyang Liu, Junan Jiang, Fei Liu, Xiaoxia Yang, Rijie Wang","doi":"10.1002/cjce.25428","DOIUrl":"10.1002/cjce.25428","url":null,"abstract":"<p>Micro/milli-scale annular reactor with straight and helical forms has excellent heat and mass transfer performance due to the short molecular diffusion distance and dual-wall surface transport. The annular gap spacing is scalable by adjusting the inner and outer tube diameter. The influence of diffusion and convection effects on axial dispersion as expanding the flow scale requires further elucidation with the help of residence time distribution (RTD) curves and Péclet (Pe) numbers. The correlation of RTD characteristics with annulus ratio <i>γ = D</i><sub>h</sub>/<i>D</i> (ratio of annulus characteristic size to outer diameter) is investigated using computational fluid dynamics. Results show that with enlarging the straight annular gap from micro-scale to milli-scale, RTD characteristics exhibit opposing patterns. This can be attributed to the transition from diffusion-dominated to convection-dominated on momentum transfer, and the transition interval is 0.167 < <i>γ</i> < 0.250. Correlation equations of Pe number with Reynolds (Re) number and <i>γ</i> are established under diffusion-dominated and convection-dominated states. The symmetrically distributed secondary flow in the helical annular gap effectively elevates the Pe (Pe<sub>max</sub> > 100). Correlation equations of Pe with Re and <i>γ</i> are established in helical annular gaps with 0.083 < <i>γ</i> < 0.208 and 0.167 < <i>γ</i> < 0.500. The above results contribute to understanding the annular flow RTD characteristics for better applications of tube-in-tube reactors.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 2","pages":"899-913"},"PeriodicalIF":1.6,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141887311","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}