Chemical Engineering Research & Design最新文献

{"title":"Process simulation and evaluation of NH3/CO2 separation in melamine tail gas using deep eutectic solvent","authors":"Yuwan Zhu,&nbsp;Guangqua Wang,&nbsp;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 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.</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}

{"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 ,&nbsp;Qingfeng Hou ,&nbsp;Yuanyuan Wang ,&nbsp;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 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.</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}

{"title":"Techno-economic and environmental analysis of decarbonization pathways for cement plants in Uzbekistan","authors":"Zafar Turakulov ,&nbsp;Azizbek Kamolov ,&nbsp;Adham Norkobilov ,&nbsp;Miroslav Variny ,&nbsp;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 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.</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}

{"title":"Synthesis of uniform spherical silver powder without dispersants in a confined impinging-jet reactor","authors":"Zhengbin Pan,&nbsp;Wei Dang,&nbsp;Yiting Xiao,&nbsp;Haotong Xin,&nbsp;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 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.</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}

{"title":"An adaptive distributed architecture for multi-agent state estimation and control of complex process systems","authors":"AmirMohammad Ebrahimi ,&nbsp;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}

{"title":"Particle motion characteristics on the rotational flow pneumatic conveying of horizontal-vertical pipeline","authors":"Fei Yan ,&nbsp;Shihao Cheng ,&nbsp;Akira Rinoshika ,&nbsp;Bo Song ,&nbsp;Guoqing Jin ,&nbsp;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}

{"title":"Tree-based machine learning for predicting Neochloris oleoabundans biomass growth and biological nutrient removal from tertiary municipal wastewater","authors":"Shaikh Abdur Razzak ,&nbsp;Md Shafiul Alam ,&nbsp;S.M. Zakir Hossain ,&nbsp;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}

{"title":"Effect of operating condition on the properties of ectoine particles for improving the purification process","authors":"Shuntaro Amari ,&nbsp;Sae Uno ,&nbsp;Tsubasa Kasai ,&nbsp;Haruto Yoshida ,&nbsp;Toshikazu Suenaga ,&nbsp;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}

{"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 ,&nbsp;Honglin Ji ,&nbsp;Linying Fu ,&nbsp;Rui Ma ,&nbsp;Xinqing Lu ,&nbsp;Yanghe Fu ,&nbsp;Hongfeng Li ,&nbsp;Shuhua Wang ,&nbsp;Liyang Zhou ,&nbsp;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 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-<strong>134a</strong>) 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, <em>i.e.</em>, 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.</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}

{"title":"Dual-time-scale zone economic model predictive control of micro gas turbine cogeneration systems","authors":"Yi Zhang ,&nbsp;Ruilong Nie ,&nbsp;Tingting Yang ,&nbsp;Jinfeng Liu ,&nbsp;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}