Samira Hashemzadeh, Jafar Javanmardi, Ali Rasoolzadeh, Amir H. Mohammadi
{"title":"Thermodynamic modelling of gas hydrate dissociation conditions in porous medium in the presence of NaCl/methanol aqueous solution","authors":"Samira Hashemzadeh, Jafar Javanmardi, Ali Rasoolzadeh, Amir H. Mohammadi","doi":"10.1002/cjce.25467","DOIUrl":"10.1002/cjce.25467","url":null,"abstract":"<p>Due to the growing significance of the existence of gas hydrates in natural media like the ocean floor/permafrost regions and the extraction of natural gas from hydrate reservoirs using thermodynamic hydrate inhibitors, investigating the dissociation of gas hydrates in porous media in the presence of inhibitors is crucial. This work examines a broad range of laboratory data on the dissociation conditions of gas hydrates in the porous mediums when salt/alcohol aqueous solutions are present. The temperature of gas hydrate dissociation in the presence of pure water is calculated using the van der Waals–Platteeuw solid solution theory. The water activity in the porous medium is then calculated by taking into account a number of variables, including the radius of the porous medium, molar volume, shape factor, wetting angle, and surface tension. The Pitzer and Margules activity coefficient models are used to determine the water activity in the presence of salt and alcohol, respectively. Lastly, the gas hydrate dissociation temperature in a porous medium in the presence of salt and/or alcohol aqueous solution is determined by combining Piereon's model with an enthalpy-based correlation that was proposed by Azimi et al. The selected package can consistently correlate the gas hydrate dissociation conditions in a porous medium in the presence of alcohol or salt aqueous solution. The average absolute deviation (AAD) of 0.67 K for the whole data bank (90 experimental data points) shows the precision of the model.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 4","pages":"1880-1889"},"PeriodicalIF":1.6,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25467","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142195265","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}
Ida Palazzo, Gianluca Viscusi, Giuliana Gorrasi, Ernesto Reverchon
{"title":"Composite nanocapsules of phase change materials using a supercritical carbon dioxide (SC-CO2) assisted process","authors":"Ida Palazzo, Gianluca Viscusi, Giuliana Gorrasi, Ernesto Reverchon","doi":"10.1002/cjce.25472","DOIUrl":"10.1002/cjce.25472","url":null,"abstract":"<p>This work reports the production of polymeric nanocapsules of polymethyl methacrylate (PMMA)/phase change materials (PCM), using continuous supercritical emulsion extraction (SEE-C). Five fatty acids (FAs) were tested: capric (CA), lauric (LA), myristic (MA), palmitic (PA), and stearic (SA) acid, using supercritical carbon dioxide (SC-CO<sub>2</sub>) operating at 80 bar and 38°C in a tower apparatus. The two fatty acids with lower molecular weight (CA and LA) were extracted by the supercritical solvent and capsules were not obtained. The other three FAs formed spherical, non-coalescing nanocapsules characterized by mean diameters ranging between 134 and 252 nm, as shown by scanning electron microscope (SEM) images and dynamic light scattering (DLS) analysis, with a sharp particles size distribution and encapsulation efficiencies up to 99.8%. Differential scanning calorimetric analysis (DSC), thermogravimetric analysis (TGA) and derivative thermogravimetric analysis (DTG) analyses confirmed the successful encapsulation, allowing the measurement of the energy storage properties of produced capsules. Stability analysis performed over 5 months showed that the nanocapsules were stable in this time interval. Thermal cycles experiments confirmed the thermal stability of the capsules. The best performance was obtained for PA based nanocapsules, which showed a stability reduction of only 0.43% after 25 thermal cycles.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 4","pages":"1723-1735"},"PeriodicalIF":1.6,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25472","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142195267","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}
Wei Bi, Wenbo Bao, Elöd Gyenge, David P. Wilkinson
{"title":"Ammonium crossover as a function of membrane type and operating conditions in flow cells for ammonia synthesis and water treatment applications","authors":"Wei Bi, Wenbo Bao, Elöd Gyenge, David P. Wilkinson","doi":"10.1002/cjce.25475","DOIUrl":"10.1002/cjce.25475","url":null,"abstract":"<p>Electrochemical flow cells are promising designs for both ammonium (<span></span><math>\u0000 <mrow>\u0000 <mi>N</mi>\u0000 <msubsup>\u0000 <mi>H</mi>\u0000 <mn>4</mn>\u0000 <mo>+</mo>\u0000 </msubsup>\u0000 </mrow></math>) electrosynthesis from dinitrogen and <span></span><math>\u0000 <mrow>\u0000 <mi>N</mi>\u0000 <msubsup>\u0000 <mi>H</mi>\u0000 <mn>4</mn>\u0000 <mo>+</mo>\u0000 </msubsup>\u0000 </mrow></math> removal/recovery from wastewater. The <span></span><math>\u0000 <mrow>\u0000 <mi>N</mi>\u0000 <msubsup>\u0000 <mi>H</mi>\u0000 <mn>4</mn>\u0000 <mo>+</mo>\u0000 </msubsup>\u0000 </mrow></math> crossover is undesirable for <span></span><math>\u0000 <mrow>\u0000 <mi>N</mi>\u0000 <msubsup>\u0000 <mi>H</mi>\u0000 <mn>4</mn>\u0000 <mo>+</mo>\u0000 </msubsup>\u0000 </mrow></math> electrosynthesis but is favourable for <span></span><math>\u0000 <mrow>\u0000 <mi>N</mi>\u0000 <msubsup>\u0000 <mi>H</mi>\u0000 <mn>4</mn>\u0000 <mo>+</mo>\u0000 </msubsup>\u0000 </mrow></math> removal. The crossover is investigated herein under different current densities, concentrations, and feed locations using cation-exchange (Nafion N112, N350) and anion-exchange (Sustainion X37-50) membranes and microporous diaphragms (Celgard 3400, 3500, and 5550). For Nafion N112, the <span></span><math>\u0000 <mrow>\u0000 <mi>N</mi>\u0000 <msubsup>\u0000 <mi>H</mi>\u0000 <mn>4</mn>\u0000 <mo>+</mo>\u0000 </msubsup>\u0000 </mrow></math> crossover from catholyte to anolyte decreases with higher <span></span><math>\u0000 <mrow>\u0000 <mi>N</mi>\u0000 <msubsup>\u0000 <mi>H</mi>\u0000 <mn>4</mn>\u0000 <mo>+</mo>\u0000 </msubsup>\u0000 </mrow></math> concentrations from 81.9 ± 4.7% at 1 ppm to 10.7 ± 0.7% at 3400 ppm. At a constant concentration, increasing the current density leads to more intense electrolyte pH polarization, which leads to <span></span><math>\u0000 <mrow>\u0000 <mi>N</mi>\u0000 <msubsup>\u0000 <mi>H</mi>\u0000 <mn>4</mn>\u0000 <mo>+</mo>\u0000 </msubsup>\u0000 </mrow></math> volatilization in favour of <span></span><math>\u0000 <mrow>\u0000 <mi>N</mi>\u0000 <msubsup>\u0000 <mi>H</mi>\u0000 <mn>4</mn>\u0000 <","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 4","pages":"1623-1639"},"PeriodicalIF":1.6,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25475","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142225084","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}
Hamed Nikravesh, Yousef Kazemzadeh, Atefeh Hasan-Zadeh, Ali Safaei
{"title":"Microorganisms usage in enhanced oil recovery: Mechanisms, applications, benefits, and limitations","authors":"Hamed Nikravesh, Yousef Kazemzadeh, Atefeh Hasan-Zadeh, Ali Safaei","doi":"10.1002/cjce.25476","DOIUrl":"10.1002/cjce.25476","url":null,"abstract":"<p>In today's world, where the oil and gas industry faces challenges such as declining production and the increasing need for efficient resource utilization, microbial enhanced oil recovery (MEOR) is introduced as a biological solution. This method, based on mechanisms like surfactant production, reduction of oil viscosity, and improvement of reservoir chemical properties, can increase oil recovery by 15%–20%, reduce operational costs by up to 30%, and is highly environmentally friendly. This study reviews various MEOR methods, including stimulating existing microbial activity in reservoirs or injecting microbes and nutrients. It presents successful examples of this technology in different oil fields, showing how MEOR can be a sustainable alternative to traditional methods. However, challenges such as the need for further research, control of biological processes, and advanced technology usage are also emphasized.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 4","pages":"1654-1672"},"PeriodicalIF":1.6,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142195296","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":"Fuzzy averaging level control for tight product quality control","authors":"Aayush Gupta, Prakhar Srivastava, Nitin Kaistha","doi":"10.1002/cjce.25466","DOIUrl":"10.1002/cjce.25466","url":null,"abstract":"<p>This work develops a fuzzy averaging level controller (ALC) to mitigate flow variability while avoiding high and low level alarm limit breaches. Comparison with proportional (P) and proportional integral (PI) level controllers and their non-linear variants demonstrates the fuzzy controller to be highly effective in mitigating flow transients for low and moderate size flow disturbances. The performance is comparable for large disturbances. Application of the developed fuzzy ALC to a ternary benzene-toluene-xylene direct split separation scheme as well as the separation section of a conventional cumene process demonstrates significantly superior product quality control due to flow transient variability mitigation. The product quality control variability is reduced by up to 1.5 times. The developed fuzzy ALC is therefore suitable for plant-wide control applications.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 3","pages":"1295-1308"},"PeriodicalIF":1.6,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142195294","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":"Pressure loss in packed beds of multicomponent mixtures of flat particles with particle overlap, including random chips","authors":"Evangelina Schonfeldt, William L. H. Hallett","doi":"10.1002/cjce.25471","DOIUrl":"10.1002/cjce.25471","url":null,"abstract":"<p>wPressure loss measurements are presented for packed beds of multi-component mixtures of thin angular parallelepipeds and of random wood chips for a Reynolds number range of 50 to 500. For flat particles like these, the degree to which the particles overlap is an essential factor in pressure loss, and this was measured using two different methods, including a novel technique involving progressive dismantling and photography of the bed. The experimental friction factors were found to be well represented by the Nemec and Levec pressure loss correlation, an Ergun-type equation with an explicit dependence of the parameters on particle sphericity, with the equation expanded to include the effects of particle overlap and of packing anomalies at the wall. The friction losses of the mixtures were found to be somewhat higher than those of the individual component particles, requiring a minor change in the correlation parameters. Estimates of the tortuosity of the bed channels showed that the greater losses of the mixtures correspond to an increase in tortuosity.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 4","pages":"1890-1901"},"PeriodicalIF":1.6,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25471","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142195303","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":"Molecular simulations and deep neural networks-based interpretable machine learning modelling of reverse adsorptive MOFs for ethane/ethylene separation","authors":"Khushboo Yadava, Shrey Srivastava, Ashutosh Yadav","doi":"10.1002/cjce.25437","DOIUrl":"10.1002/cjce.25437","url":null,"abstract":"<p>The thermal decomposition of ethane (C<sub>2</sub>H<sub>6</sub>) and the steam cracking of fossil fuels are the main sources of ethylene (C<sub>2</sub>H<sub>4</sub>). However, it usually contains 5%–9% of C<sub>2</sub>H<sub>6</sub> residue, which must be reduced to ensure its utilization during polymerization. C<sub>2</sub>H<sub>6</sub> and C<sub>2</sub>H<sub>4</sub> have comparable kinetic diameters and boiling points (C<sub>2</sub>H<sub>6</sub>: 4.44, 184.55 K; C<sub>2</sub>H<sub>4</sub>: 4.16, 169.42 K), which makes the separation process very difficult. This contribution employs a methodology that integrates machine learning (ML) with Monte Carlo simulations to evaluate the ddmof database to develop a predictive model for separating ethane (C<sub>2</sub>H<sub>6</sub>) and ethylene (C<sub>2</sub>H<sub>4</sub>). The ML model's input is the metal–organic frameworks (MOFs) chemical and structural descriptors. The grand canonical Monte Carlo (GCMC) simulations in RASPA software were carried out to calculate the equilibrium adsorption of ethane and ethylene. Different ML models such as random forest, decision tree, and deep neural network models have been tested to estimate the selectivity and ethane uptake from the MOF data being generated. Interpretable ML model using SHapley Additive exPlanations (SHAP) is developed for the better understanding of the impact of the parameters on selectivity and ethane uptake. A user-friendly graphical user interface (GUI) is presented, allowing users to predict the ethane uptake and selectivity of MOFs simply by entering the values of chemical and structural descriptors.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 3","pages":"1083-1098"},"PeriodicalIF":1.6,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142195297","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}
Ahmet Alp Zembat, Elifnur Gezmis-Yavuz, Derya Y. Koseoglu-Imer, C. Elif Cansoy
{"title":"The use of graphene nanoplatelet-embedded PA-6 nanofibres to remove turbidity from water","authors":"Ahmet Alp Zembat, Elifnur Gezmis-Yavuz, Derya Y. Koseoglu-Imer, C. Elif Cansoy","doi":"10.1002/cjce.25469","DOIUrl":"10.1002/cjce.25469","url":null,"abstract":"<p>The global challenge of providing clean water at an affordable cost has led to the need for the development of low-cost and non-toxic materials for the treatment and recycling of waste water. Nanofibres have emerged as a promising solution due to their superior properties. To this end, composite polyamide-6 (PA-6) nanofibres embedded with graphene nanoplatelets (GNPs) were prepared by electrospinning. The study investigated the effect of the ratio of GNPs, which ranged from 0.1 to 1.0 wt.%, on the mechanical properties of nanofibres and the removal of turbidity. The results showed that PA-6 nanofibres with 0.5 wt.% GNP exhibited enhanced mechanical properties, and increasing the GNP ratio led to lower turbidity values. To the best of our knowledge, GNP-embedded PA-6 nanofibres have not been used for turbidity removal before, and these filter materials are promising due to their excellent fibre structure, mechanical strength, and high level of turbidity removal.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 4","pages":"1752-1762"},"PeriodicalIF":1.6,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142195295","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 novel fault diagnosis framework empowered by LSTM and attention: A case study on the Tennessee Eastman process","authors":"Shuaiyu Zhao, Yiling Duan, Nitin Roy, Bin Zhang","doi":"10.1002/cjce.25460","DOIUrl":"10.1002/cjce.25460","url":null,"abstract":"<p>In the era of Industry 4.0, substantial research has been devoted to the field of fault detection and diagnosis (FDD), which plays a critical role in preventive maintenance of large chemical processes. However, the existing studies are primarily focused on few-shot samples of process data and without considering the role of activation functions in temporal diagnostic tasks. In this paper, an end-to-end chemical fault diagnosis framework that combines bidirectional long short-term memory (LSTM) with attention mechanism is proposed. In the preprocessing stage, a special sliding time window function is developed to integrate multivariate samples containing complex temporal information via operation such as subset extraction. Afterwards, the bidirectional LSTM is constructed to address dynamic and temporal relationship on longer series observation, and the attention mechanism is adopted to highlight key fault features by assigning different attention weights. A case application is performed on the enriched Tennessee Eastman process (TEP), which reduces the bias between sample statistics and larger population parameters compared to existing few-shot sample studies. The metric evaluation experiments for six activations show that the model configured with tanh function can achieve the optimal tradeoff in chemical process tasks, providing a strong benchmark for subsequent fault diagnosis research.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"103 4","pages":"1763-1785"},"PeriodicalIF":1.6,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142195304","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}
Audrey Laventure, Samantha Brixi, Gregory C. Welch, Benoît H. Lessard
{"title":"Stability assessment of PTB7-Th and a quinoxaline-based polymer in both organic thin film transistors and in organic photovoltaic devices","authors":"Audrey Laventure, Samantha Brixi, Gregory C. Welch, Benoît H. Lessard","doi":"10.1002/cjce.25464","DOIUrl":"10.1002/cjce.25464","url":null,"abstract":"<p>Herein, we perform a stability assessment of two conjugated polymers that are conventionally used as electron donor polymers in the active layer of organic photovoltaic (OPV). More specifically, the impact of thermal annealing, a post-treatment commonly applied in the OPV community, is evaluated in terms of device performance and stability. The two polymers are PTB7-Th and QX1, and they are respectively blended with a non-fullerene electron acceptor, herein a derivative of N-annulated perylene diimide, that is, tPDI<sub>2</sub>N-EH. These blends are targeted for their relatively high power conversion efficiency in outdoor conditions, but also for their potential as efficient active layer in low-intensity (indoor) conditions—while these blends have been reported, no study on the impact of thermal annealing on their stability has been performed yet. The performance stability of these devices, tracked via the open circuit voltage, the short-circuit current, the fill factor, and the power conversion efficiency metrics, were evaluated each day for 2 weeks and correlated to an evaluation of the microstructure of the active layer, evaluated using atomic force microscopy and UV–visible absorbance spectroscopy. Finally, transistors were prepared using only the two electron donor polymers, PTB7-Th and QX1, to assess if some correlations could be made between the behaviour of the OPV devices and that of the electronic charge mobilities. Results contribute to identify which molecular structures and which post-treatments are ideal to promote the stability of the active layers in the context of OPV devices.</p>","PeriodicalId":9400,"journal":{"name":"Canadian Journal of Chemical Engineering","volume":"102 12","pages":"4129-4136"},"PeriodicalIF":1.6,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cjce.25464","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142195298","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}