Pub Date : 2024-09-14DOI: 10.1016/j.cherd.2024.09.012
Yuwan Zhu, Guangqua Wang, Dongshun Deng
Melamine tail gas contains large amounts of NH3 and CO2. Its NH3 uptake is important for improvement of gas quality and resource recycling. The conventional solvent absorption and urea cogeneration methods suffer from the high energy consumption. Due to the advantages of low price, good renewability and low toxicity for deep eutectic solvents (DESs), a new absorption and separation process using NH4SCN: glycerol (2:3) DES was proposed and simulated using Aspen Plus V12™ in present contribution. Based on estimation method and experimental data, physical parameters such as density, viscosity, heat capacity, and thermal conductivity of DES were obtained. Two new process technologies, the basic DES-based process (DES-0) and the enhanced DES-based (DES-EN), were evaluated from energy and cost effectiveness. The conventional water scrubbing process (WS), DES-0, and DES-EN were systematically evaluated from process sensitivity analysis. Results demonstrated that the NH3 concentration of the products reached 99.6 % (mass fraction) for all three methods. Compared with the WS method, the cooling water usage of DES-0 was reduced by 89.16 % and the equipment cost dropped by 86.46 %. The total separation cost of the DES-0 process was 158.56 $·t−1 NH3, 79.43 % lower than that of the WS process.
三聚氰胺尾气中含有大量的 NH3 和 CO2。吸收其中的 NH3 对改善气体质量和资源循环利用非常重要。传统的溶剂吸收和尿素热电联产方法能耗较高。由于深共晶溶剂(DES)具有价格低廉、可再生性好和毒性低等优点,本文提出了一种使用 NH4SCN:甘油(2:3)DES 的新型吸收和分离工艺,并使用 Aspen Plus V12™ 进行了模拟。根据估算方法和实验数据,获得了 DES 的密度、粘度、热容量和热导率等物理参数。从能源和成本效益的角度评估了两种新工艺技术,即基于 DES 的基本工艺(DES-0)和基于 DES 的增强工艺(DES-EN)。通过工艺敏感性分析,对传统的水洗涤工艺(WS)、DES-0 和 DES-EN 进行了系统评估。结果表明,这三种方法的产品中 NH3 浓度均达到 99.6%(质量分数)。与 WS 方法相比,DES-0 的冷却水用量减少了 89.16%,设备成本降低了 86.46%。DES-0 工艺的总分离成本为 158.56 美元-t-1 NH3,比 WS 工艺低 79.43%。
{"title":"Process simulation and evaluation of NH3/CO2 separation in melamine tail gas using deep eutectic solvent","authors":"Yuwan Zhu, Guangqua Wang, Dongshun Deng","doi":"10.1016/j.cherd.2024.09.012","DOIUrl":"10.1016/j.cherd.2024.09.012","url":null,"abstract":"<div><p>Melamine tail gas contains large amounts of NH<sub>3</sub> and CO<sub>2</sub>. Its NH<sub>3</sub> uptake is important for improvement of gas quality and resource recycling. The conventional solvent absorption and urea cogeneration methods suffer from the high energy consumption. Due to the advantages of low price, good renewability and low toxicity for deep eutectic solvents (DESs), a new absorption and separation process using NH<sub>4</sub>SCN: glycerol (2:3) DES was proposed and simulated using Aspen Plus V12™ in present contribution. Based on estimation method and experimental data, physical parameters such as density, viscosity, heat capacity, and thermal conductivity of DES were obtained. Two new process technologies, the basic DES-based process (DES-0) and the enhanced DES-based (DES-EN), were evaluated from energy and cost effectiveness. The conventional water scrubbing process (WS), DES-0, and DES-EN were systematically evaluated from process sensitivity analysis. Results demonstrated that the NH<sub>3</sub> concentration of the products reached 99.6 % (mass fraction) for all three methods. Compared with the WS method, the cooling water usage of DES-0 was reduced by 89.16 % and the equipment cost dropped by 86.46 %. The total separation cost of the DES-0 process was 158.56 $·t<sup>−1</sup> NH<sub>3</sub>, 79.43 % lower than that of the WS process.</p></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 558-567"},"PeriodicalIF":3.7,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142270898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study aims to investigate the impacts of a surfactant structure, surfactant concentration, and salt content on switchable emulsification processes through molecular dynamics (MD) simulations. Specifically, we focus on assessing the properties and behaviors of water/tetradecane systems containing CO2-switchable acetamidine surfactant N’-dodecyl-N, N-dimethylacetamidine (C12DMAA) and C18 naphthalene sulfonate (C18PS), both of which are relevant to enhanced oil recovery processes. Utilizing MD simulations, we comprehensively explore the influence of the molecular composition of switchable surfactants, salinity, and surfactant concentration on the reversible processes of emulsification and demulsification in a complex oil/water/C18PS/C12DMAA system. This system can be activated through the injection of CO2 or N2 gas. Various analyses, including molecule mobility, hydration behavior, void volume analysis, a solvent accessible surface area (SASA), a diffusion coefficient, and relative concentration profiles, are employed to gain insights into the emulsification and demulsification processes. Our study reveals that lower surfactant concentrations result in the formation of partial emulsions, while the presence of salt disrupts surfactant hydration and weakens emulsification properties. Additionally, we observe that the impact of hydrogen bonding interactions is less pronounced at lower surfactant concentrations. Furthermore, the MD simulations provided insights into the interplay of a surfactant monomer number and alkyl phenyl introduction with a solvent-accessible surface area (SASA) and a void volume. Understanding these factors is crucial for designing and optimizing emulsion systems, particularly in oil recovery processes. The findings advance our understanding of CO2/N2-switchable surfactants, offering insights into their potential for sustainable development in the petroleum industry. This research contributes to the optimization of switchable surfactants, providing a foundation for improved emulsification processes in enhanced oil recovery applications.
{"title":"Enhancing the emulsification and demulsification efficiency of switchable surfactants through molecular dynamics simulation: The roles of surfactant concentration, salinity, and structure","authors":"Mohammadali Ahmadi , Qingfeng Hou , Yuanyuan Wang , Zhangxin Chen","doi":"10.1016/j.cherd.2024.09.018","DOIUrl":"10.1016/j.cherd.2024.09.018","url":null,"abstract":"<div><p>This study aims to investigate the impacts of a surfactant structure, surfactant concentration, and salt content on switchable emulsification processes through molecular dynamics (MD) simulations. Specifically, we focus on assessing the properties and behaviors of water/tetradecane systems containing CO<sub>2</sub>-switchable acetamidine surfactant N’-dodecyl-N, N-dimethylacetamidine (C<sub>12</sub>DMAA) and C<sub>18</sub> naphthalene sulfonate (C<sub>18</sub>PS), both of which are relevant to enhanced oil recovery processes. Utilizing MD simulations, we comprehensively explore the influence of the molecular composition of switchable surfactants, salinity, and surfactant concentration on the reversible processes of emulsification and demulsification in a complex oil/water/C<sub>18</sub>PS/C<sub>12</sub>DMAA system. This system can be activated through the injection of CO<sub>2</sub> or N<sub>2</sub> gas. Various analyses, including molecule mobility, hydration behavior, void volume analysis, a solvent accessible surface area (SASA), a diffusion coefficient, and relative concentration profiles, are employed to gain insights into the emulsification and demulsification processes. Our study reveals that lower surfactant concentrations result in the formation of partial emulsions, while the presence of salt disrupts surfactant hydration and weakens emulsification properties. Additionally, we observe that the impact of hydrogen bonding interactions is less pronounced at lower surfactant concentrations. Furthermore, the MD simulations provided insights into the interplay of a surfactant monomer number and alkyl phenyl introduction with a solvent-accessible surface area (SASA) and a void volume. Understanding these factors is crucial for designing and optimizing emulsion systems, particularly in oil recovery processes. The findings advance our understanding of CO<sub>2</sub>/N<sub>2</sub>-switchable surfactants, offering insights into their potential for sustainable development in the petroleum industry. This research contributes to the optimization of switchable surfactants, providing a foundation for improved emulsification processes in enhanced oil recovery applications.</p></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 513-530"},"PeriodicalIF":3.7,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142270891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The cement industry is a major contributor to global carbon emissions and is characterized by high energy waste, necessitating urgent mitigation efforts. This study explores decarbonization pathways, including energy efficiency, clinker substitution, alternative fuels, and carbon capture, storage, and utilization technologies, for a 1 Mt/year cement plant in Uzbekistan. Waste heat recovery and CO2 capture technologies are identified as the most effective methods for this plant because of their high efficiency and sustainability potential. By using modeling tools such as Aspen Plus and Aspen Custom Modeler, various scenarios, including the cement plant baseline, amine-based CO2 absorption, membrane CO2 separation, and WHR units, are investigated to assess their techno-economic and environmental impacts. The study establishes design parameters for each unit and calculates both capital and operational costs. Compared with conventional amine absorption, the membrane separation process reduces the clinker cost, levelized cost of clinker, CO2 avoided cost, and CO2 capture cost by 31 %, 34.3 %, 72 %, and 70 %, respectively. The implementation of a waste heat recovery system with amine absorption and membrane separation further reduces annual indirect CO2 emissions by 17 % and 35 %, respectively, thereby lowering operating costs. Membrane separation systems prove to be more economical in terms of both capital and operational expenses, particularly when integrated with heat recovery systems, effectively offsetting the higher costs associated with amine-based systems.
{"title":"Techno-economic and environmental analysis of decarbonization pathways for cement plants in Uzbekistan","authors":"Zafar Turakulov , Azizbek Kamolov , Adham Norkobilov , Miroslav Variny , Marcos Fallanza","doi":"10.1016/j.cherd.2024.09.003","DOIUrl":"10.1016/j.cherd.2024.09.003","url":null,"abstract":"<div><div>The cement industry is a major contributor to global carbon emissions and is characterized by high energy waste, necessitating urgent mitigation efforts. This study explores decarbonization pathways, including energy efficiency, clinker substitution, alternative fuels, and carbon capture, storage, and utilization technologies, for a 1 Mt/year cement plant in Uzbekistan. Waste heat recovery and CO<sub>2</sub> capture technologies are identified as the most effective methods for this plant because of their high efficiency and sustainability potential. By using modeling tools such as Aspen Plus and Aspen Custom Modeler, various scenarios, including the cement plant baseline, amine-based CO<sub>2</sub> absorption, membrane CO<sub>2</sub> separation, and WHR units, are investigated to assess their techno-economic and environmental impacts. The study establishes design parameters for each unit and calculates both capital and operational costs. Compared with conventional amine absorption, the membrane separation process reduces the clinker cost, levelized cost of clinker, CO<sub>2</sub> avoided cost, and CO<sub>2</sub> capture cost by 31 %, 34.3 %, 72 %, and 70 %, respectively. The implementation of a waste heat recovery system with amine absorption and membrane separation further reduces annual indirect CO<sub>2</sub> emissions by 17 % and 35 %, respectively, thereby lowering operating costs. Membrane separation systems prove to be more economical in terms of both capital and operational expenses, particularly when integrated with heat recovery systems, effectively offsetting the higher costs associated with amine-based systems.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 625-637"},"PeriodicalIF":3.7,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142320323","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-13DOI: 10.1016/j.cherd.2024.09.019
Zhengbin Pan, Wei Dang, Yiting Xiao, Haotong Xin, Bo Kong
Sliver powder is the most common and extensively utilized precious metal powder in electronics, primarily for electronic paste. Herein, micron-sized spherical silver powder was synthesized via a liquid phase reduction method employing silver nitrate as the source of silver and ascorbic acid as the reducing agent in a confined impinging jet reactor (CIJR). The impact of the molar ratio between silver nitrate and ascorbic acid, the flow rate, and the temperature on the particle size of silver powder was investigated. The optimal process conditions for silver powder are as follows: maintain a molar ratio of 1:1 and control the feeding rate at 10 ml/min while operating at 50 ° C. The confined impinging jet reactor offers enhanced control over reaction conditions during the synthesis of silver powder, surpassing the capabilities of traditional batch reactors. The aforementioned optimized methodology was employed to successfully synthesize uniform and spherical silver powder (with an aspect ratio approaching 1) in the low Reynolds number jet, resulting in an average particle size of d50 = 0.83 μm and a standard deviation of 0.07, without the addition of dispersant. The synthesis method presented here improves the performance of silver powder, simplifies the production process, reduces energy consumption, and minimizes waste generation. These advances yield significant environmental and economic benefits. In the future, with the continuous development and optimization of microreactor technology, this synthesis method is anticipated to play a more prominent role in the commercial-scale production and application of micrometer-sized silver powder.
{"title":"Synthesis of uniform spherical silver powder without dispersants in a confined impinging-jet reactor","authors":"Zhengbin Pan, Wei Dang, Yiting Xiao, Haotong Xin, Bo Kong","doi":"10.1016/j.cherd.2024.09.019","DOIUrl":"10.1016/j.cherd.2024.09.019","url":null,"abstract":"<div><p>Sliver powder is the most common and extensively utilized precious metal powder in electronics, primarily for electronic paste. Herein, micron-sized spherical silver powder was synthesized via a liquid phase reduction method employing silver nitrate as the source of silver and ascorbic acid as the reducing agent in a confined impinging jet reactor (CIJR). The impact of the molar ratio between silver nitrate and ascorbic acid, the flow rate, and the temperature on the particle size of silver powder was investigated. The optimal process conditions for silver powder are as follows: maintain a molar ratio of 1:1 and control the feeding rate at 10 ml/min while operating at 50 ° C. The confined impinging jet reactor offers enhanced control over reaction conditions during the synthesis of silver powder, surpassing the capabilities of traditional batch reactors. The aforementioned optimized methodology was employed to successfully synthesize uniform and spherical silver powder (with an aspect ratio approaching 1) in the low Reynolds number jet, resulting in an average particle size of d<sub>50</sub> = 0.83 μm and a standard deviation of 0.07, without the addition of dispersant. The synthesis method presented here improves the performance of silver powder, simplifies the production process, reduces energy consumption, and minimizes waste generation. These advances yield significant environmental and economic benefits. In the future, with the continuous development and optimization of microreactor technology, this synthesis method is anticipated to play a more prominent role in the commercial-scale production and application of micrometer-sized silver powder.</p></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 531-542"},"PeriodicalIF":3.7,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142270897","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-12DOI: 10.1016/j.cherd.2024.09.014
AmirMohammad Ebrahimi , Davood B. Pourkargar
A multi-agent integrated distributed moving horizon estimation (DMHE) and model predictive control (DMPC) framework is developed for complex process networks. This framework utilizes an adaptive spectral community detection-based decomposition approach for a weighted graph representation of the state space model of the system to identify the optimal communities for distributed estimation and control. As the operating conditions of the process network change, the system decomposition adjusts, and the estimation and control agents are reassigned accordingly. These adjustments enable optimizing the integrated DMHE and DMPC architecture, enhancing robustness and closed-loop system performance. The effectiveness of the proposed adaptive distributed multi-agent estimation and control framework is demonstrated through a benchmark benzene alkylation process under various operating conditions. Simulation results show that the proposed multi-agent approach enhances closed-loop performance and computational efficiency compared to traditional system decomposition methods using unweighted hierarchical community detection.
{"title":"An adaptive distributed architecture for multi-agent state estimation and control of complex process systems","authors":"AmirMohammad Ebrahimi , Davood B. Pourkargar","doi":"10.1016/j.cherd.2024.09.014","DOIUrl":"10.1016/j.cherd.2024.09.014","url":null,"abstract":"<div><div>A multi-agent integrated distributed moving horizon estimation (DMHE) and model predictive control (DMPC) framework is developed for complex process networks. This framework utilizes an adaptive spectral community detection-based decomposition approach for a weighted graph representation of the state space model of the system to identify the optimal communities for distributed estimation and control. As the operating conditions of the process network change, the system decomposition adjusts, and the estimation and control agents are reassigned accordingly. These adjustments enable optimizing the integrated DMHE and DMPC architecture, enhancing robustness and closed-loop system performance. The effectiveness of the proposed adaptive distributed multi-agent estimation and control framework is demonstrated through a benchmark benzene alkylation process under various operating conditions. Simulation results show that the proposed multi-agent approach enhances closed-loop performance and computational efficiency compared to traditional system decomposition methods using unweighted hierarchical community detection.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 594-604"},"PeriodicalIF":3.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142312303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-12DOI: 10.1016/j.cherd.2024.09.010
Fei Yan , Shihao Cheng , Akira Rinoshika , Bo Song , Guoqing Jin , Jian Zhang
In this study, a rotational flow device (rotational blade) is developed and installed in the upstream of the particle inlet with the aim of improving the efficiency and capacity of pneumatic conveying. Firstly, this study analyzed the energy-saving effect of rotational flow based on the pressure drop and power consumption. The results shown that the optimal velocity can be reduced by a maximum of 18.7 % and the power consumption coefficient can be reduced by a maximum of 9.8 %. Furthermore, the distributions of particle concentration, velocity and pulsation velocity are analyzed by using electrical capacitance tomography (ECT) and particle image velocimetry (PIV) system. It is found that the particle velocity and velocity pulsation intensity for rotational flow are higher, and they have the ability to enhance particle suspension. Then, the power spectrum of the particle pulsation velocity shown that the rotational flow exhibited higher peak value at lower frequencies, indicating the particles are not easily deposited at pipe bottom. Finally, the auto-correlation of particle pulsation velocity indicated that the particle motion is more stable and has a longer period at low particle concentrations. The skewness factor and probability density function of particle pulsation velocity indicated that the use of rotational blades makes the particle pulsation velocity to deviate from the Gaussian distribution.
{"title":"Particle motion characteristics on the rotational flow pneumatic conveying of horizontal-vertical pipeline","authors":"Fei Yan , Shihao Cheng , Akira Rinoshika , Bo Song , Guoqing Jin , Jian Zhang","doi":"10.1016/j.cherd.2024.09.010","DOIUrl":"10.1016/j.cherd.2024.09.010","url":null,"abstract":"<div><p>In this study, a rotational flow device (rotational blade) is developed and installed in the upstream of the particle inlet with the aim of improving the efficiency and capacity of pneumatic conveying. Firstly, this study analyzed the energy-saving effect of rotational flow based on the pressure drop and power consumption. The results shown that the optimal velocity can be reduced by a maximum of 18.7 % and the power consumption coefficient can be reduced by a maximum of 9.8 %. Furthermore, the distributions of particle concentration, velocity and pulsation velocity are analyzed by using electrical capacitance tomography (ECT) and particle image velocimetry (PIV) system. It is found that the particle velocity and velocity pulsation intensity for rotational flow are higher, and they have the ability to enhance particle suspension. Then, the power spectrum of the particle pulsation velocity shown that the rotational flow exhibited higher peak value at lower frequencies, indicating the particles are not easily deposited at pipe bottom. Finally, the auto-correlation of particle pulsation velocity indicated that the particle motion is more stable and has a longer period at low particle concentrations. The skewness factor and probability density function of particle pulsation velocity indicated that the use of rotational blades makes the particle pulsation velocity to deviate from the Gaussian distribution.</p></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 452-468"},"PeriodicalIF":3.7,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Recently, computational models have been increasingly recognized as valuable tools for addressing key challenges in the operational performance of biological wastewater treatment facilities. In this study, tree-based machine learning approaches, such as decision tree regressor (DTR) and extra tree regressor (ETR), were developed to predict microalgae (Neochloris oleoabundans) biomass growth, culture pH, and nutrient removal efficacy (total nitrogen, TN and total phosphorus, TP) for the first time. The experimental data was obtained through a central composite design (CCD) matrix, and Bayesian optimization was applied to fine-tune the models’ hyperparameters. Model performance was evaluated using indicators such as the coefficient of determination (R²), mean absolute error (MAE), and mean-squared error (MSE). The results showed comparable performance between the DTR and ETR models. For TN removal during testing, the R² values for DTR and ETR were 0.9262 and 0.9789, respectively, with DTR (MSE: 0.00895, MAE: 0.0615) and ETR (MSE: 0.00255, MAE: 0.0352) demonstrating reliable predictions. Overall, the ETR model outperformed DTR in predicting responses. The models' generalization capabilities were also assessed by introducing variations in environmental factors.
{"title":"Tree-based machine learning for predicting Neochloris oleoabundans biomass growth and biological nutrient removal from tertiary municipal wastewater","authors":"Shaikh Abdur Razzak , Md Shafiul Alam , S.M. Zakir Hossain , Syed Masiur Rahman","doi":"10.1016/j.cherd.2024.09.004","DOIUrl":"10.1016/j.cherd.2024.09.004","url":null,"abstract":"<div><div>Recently, computational models have been increasingly recognized as valuable tools for addressing key challenges in the operational performance of biological wastewater treatment facilities. In this study, tree-based machine learning approaches, such as decision tree regressor (DTR) and extra tree regressor (ETR), were developed to predict microalgae (<em>Neochloris oleoabundans</em>) biomass growth, culture pH, and nutrient removal efficacy (total nitrogen, TN and total phosphorus, TP) for the first time. The experimental data was obtained through a central composite design (CCD) matrix, and Bayesian optimization was applied to fine-tune the models’ hyperparameters. Model performance was evaluated using indicators such as the coefficient of determination (R²), mean absolute error (MAE), and mean-squared error (MSE). The results showed comparable performance between the DTR and ETR models. For TN removal during testing, the R² values for DTR and ETR were 0.9262 and 0.9789, respectively, with DTR (MSE: 0.00895, MAE: 0.0615) and ETR (MSE: 0.00255, MAE: 0.0352) demonstrating reliable predictions. Overall, the ETR model outperformed DTR in predicting responses. The models' generalization capabilities were also assessed by introducing variations in environmental factors.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 614-624"},"PeriodicalIF":3.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142320324","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1016/j.cherd.2024.09.016
Shuntaro Amari , Sae Uno , Tsubasa Kasai , Haruto Yoshida , Toshikazu Suenaga , Hiroshi Takiyama
Ectoine, which is produced from methane by methane-oxidizing bacteria, has attracted attention because of its many useful functions in living organisms. It is known that the purification process using alcohol-based solvents is a limiting step in the ectoine production process because of the precipitation of fine particles. This study investigated quantitatively the effects of operating conditions (cooling rate and solvent) on the properties of ectoine particles for improving the efficiency of the ectoine purification process. The experimental results showed that the properties of ectoine particles were significantly influenced by operating condition such as the cooling rate and solvent of feed solution. Furthermore, it was revealed that the critical supersaturation ratio at the nucleation using methanol was approximately ten times higher than using water. Consequently, it was found that the high critical supersaturation ratio at the nucleation induces the precipitation the fine particles that have high filtration resistance. In conclusion, we succeeded in finding the relationship between the operating conditions and properties of ectoine particles.
{"title":"Effect of operating condition on the properties of ectoine particles for improving the purification process","authors":"Shuntaro Amari , Sae Uno , Tsubasa Kasai , Haruto Yoshida , Toshikazu Suenaga , Hiroshi Takiyama","doi":"10.1016/j.cherd.2024.09.016","DOIUrl":"10.1016/j.cherd.2024.09.016","url":null,"abstract":"<div><div>Ectoine, which is produced from methane by methane-oxidizing bacteria, has attracted attention because of its many useful functions in living organisms. It is known that the purification process using alcohol-based solvents is a limiting step in the ectoine production process because of the precipitation of fine particles. This study investigated quantitatively the effects of operating conditions (cooling rate and solvent) on the properties of ectoine particles for improving the efficiency of the ectoine purification process. The experimental results showed that the properties of ectoine particles were significantly influenced by operating condition such as the cooling rate and solvent of feed solution. Furthermore, it was revealed that the critical supersaturation ratio at the nucleation using methanol was approximately ten times higher than using water. Consequently, it was found that the high critical supersaturation ratio at the nucleation induces the precipitation the fine particles that have high filtration resistance. In conclusion, we succeeded in finding the relationship between the operating conditions and properties of ectoine particles.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 664-669"},"PeriodicalIF":3.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142322376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1016/j.cherd.2024.09.017
Siheng Nie , Honglin Ji , Linying Fu , Rui Ma , Xinqing Lu , Yanghe Fu , Hongfeng Li , Shuhua Wang , Liyang Zhou , Weidong Zhu
The catalytic oxidation of gaseous HCl with a small amount of HF to Cl2 is of utmost importance and desire for chlorine recycling in the fluorochemical industry. Herein, based on the results from the catalytic oxidation of HCl as byproduct contaminated with HF and fluorocarbons from the production of 1,1,1,2-tetrafluoroethane (HFC-134a) over a recently developed RuO2/MgF2 catalyst, the separation and purification processes of the downstream from the catalytic oxidation unit were simulated and optimized using the Aspen Plus software. In the simulation and optimization, a separation flow for Cl2 purification was built up and the corresponding mass and energy balances were made as well. The results show that both produced H2O vapor and unconverted HCl from the catalytic reactor can be effectively removed by a two-stage cooling dehydration unit coupled with a three-stage drying tower to obtain 29.90 wt% hydrochloric acid. In addition, the relationship between the dehydration amount and the heat load of the drying tower was optimized, showing a H2SO4 (98.00 wt%) consumption of 11.8 kg per ton of Cl2 produced, i.e., 11.8 kg/t, in the drying tower. Furthermore, the gaseous mixture of Cl2 and O2 can be separated by a pressurized distillation unit, in which the operating pressure and temperature as well as the heat load of the condenser were optimized, showing that a liquified Cl2 concentration of 99.93 wt% with a recovery efficiency of 97.0 % can be achieved. The current research, therefore, provides some fundamental base for the industrialization of the recovery of Cl2 from the byproduct HCl in the fluorochemical industry.
{"title":"Simulation and optimization of separation processes for the downstream of the catalytic oxidation of HCl as byproduct from the fluorochemical industry","authors":"Siheng Nie , Honglin Ji , Linying Fu , Rui Ma , Xinqing Lu , Yanghe Fu , Hongfeng Li , Shuhua Wang , Liyang Zhou , Weidong Zhu","doi":"10.1016/j.cherd.2024.09.017","DOIUrl":"10.1016/j.cherd.2024.09.017","url":null,"abstract":"<div><div>The catalytic oxidation of gaseous HCl with a small amount of HF to Cl<sub>2</sub> is of utmost importance and desire for chlorine recycling in the fluorochemical industry. Herein, based on the results from the catalytic oxidation of HCl as byproduct contaminated with HF and fluorocarbons from the production of 1,1,1,2-tetrafluoroethane (HFC-<strong>134a</strong>) over a recently developed RuO<sub>2</sub>/MgF<sub>2</sub> catalyst, the separation and purification processes of the downstream from the catalytic oxidation unit were simulated and optimized using the Aspen Plus software. In the simulation and optimization, a separation flow for Cl<sub>2</sub> purification was built up and the corresponding mass and energy balances were made as well. The results show that both produced H<sub>2</sub>O vapor and unconverted HCl from the catalytic reactor can be effectively removed by a two-stage cooling dehydration unit coupled with a three-stage drying tower to obtain 29.90 wt% hydrochloric acid. In addition, the relationship between the dehydration amount and the heat load of the drying tower was optimized, showing a H<sub>2</sub>SO<sub>4</sub> (98.00 wt%) consumption of 11.8 kg per ton of Cl<sub>2</sub> produced, <em>i.e.</em>, 11.8 kg/t, in the drying tower. Furthermore, the gaseous mixture of Cl<sub>2</sub> and O<sub>2</sub> can be separated by a pressurized distillation unit, in which the operating pressure and temperature as well as the heat load of the condenser were optimized, showing that a liquified Cl<sub>2</sub> concentration of 99.93 wt% with a recovery efficiency of 97.0 % can be achieved. The current research, therefore, provides some fundamental base for the industrialization of the recovery of Cl<sub>2</sub> from the byproduct HCl in the fluorochemical industry.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 638-647"},"PeriodicalIF":3.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142322377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1016/j.cherd.2024.09.015
Yi Zhang , Ruilong Nie , Tingting Yang , Jinfeng Liu , Fang Fang
The utilization of decentralized micro gas turbine combined heat and power (MGT-CHP) units is considered as a prospective technique in power generation due to its high levels of fuel utilization rates and low emissions. However, the inherent strong coupling and complex timescale multiplicity make it challenging to realize optimal operation. To this end, this paper first establishes a precise mechanism model to attain a thorough understanding of the system properties. By conducting singular perturbation theory, the complex nonlinear system is decomposed into a fast power subsystem and a slow heat subsystem. Then, a dual-time-scale zone economic model predictive control (D-ZEMPC) algorithm, which is comprised of a fast EMPC and a slow EMPC, is applied to achieve dynamic synergy between heat and power supply by actively coordinating the two sub-controllers. Moreover, a zone tracking method is introduced for room temperature control, thereby yielding increased freedom in balancing the economic profits and thermal comfort. The simulation results in three scenarios along with the qualitative and quantitative discussions show that compared with the other two centralized EMPC algorithms, the proposed D-ZEMPC can significantly alleviate computational loads and reduce the simulation time by over 64.5 % while maintaining required thermal comfort with minimum fuel consumption.
{"title":"Dual-time-scale zone economic model predictive control of micro gas turbine cogeneration systems","authors":"Yi Zhang , Ruilong Nie , Tingting Yang , Jinfeng Liu , Fang Fang","doi":"10.1016/j.cherd.2024.09.015","DOIUrl":"10.1016/j.cherd.2024.09.015","url":null,"abstract":"<div><p>The utilization of decentralized micro gas turbine combined heat and power (MGT-CHP) units is considered as a prospective technique in power generation due to its high levels of fuel utilization rates and low emissions. However, the inherent strong coupling and complex timescale multiplicity make it challenging to realize optimal operation. To this end, this paper first establishes a precise mechanism model to attain a thorough understanding of the system properties. By conducting singular perturbation theory, the complex nonlinear system is decomposed into a fast power subsystem and a slow heat subsystem. Then, a dual-time-scale zone economic model predictive control (D-ZEMPC) algorithm, which is comprised of a fast EMPC and a slow EMPC, is applied to achieve dynamic synergy between heat and power supply by actively coordinating the two sub-controllers. Moreover, a zone tracking method is introduced for room temperature control, thereby yielding increased freedom in balancing the economic profits and thermal comfort. The simulation results in three scenarios along with the qualitative and quantitative discussions show that compared with the other two centralized EMPC algorithms, the proposed D-ZEMPC can significantly alleviate computational loads and reduce the simulation time by over 64.5 % while maintaining required thermal comfort with minimum fuel consumption.</p></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"210 ","pages":"Pages 579-593"},"PeriodicalIF":3.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142270673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}