Chemical engineering transactions最新文献

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Life Cycle Analysis of Dye Degradation Using Advanced Oxidative Processes 高级氧化工艺降解染料的生命周期分析
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186099
Rogério Ferreira da Silva, J. Aragão, P. Matos, Victória Fernanda Alves Milanez, Jacqueline da Silva Macêdo, A. Duarte, Osmar Veras Araujo, Gilson Lima da Silva, A. Costa
{"title":"Life Cycle Analysis of Dye Degradation Using Advanced Oxidative Processes","authors":"Rogério Ferreira da Silva, J. Aragão, P. Matos, Victória Fernanda Alves Milanez, Jacqueline da Silva Macêdo, A. Duarte, Osmar Veras Araujo, Gilson Lima da Silva, A. Costa","doi":"10.3303/CET2186099","DOIUrl":"https://doi.org/10.3303/CET2186099","url":null,"abstract":"Pollution caused by textile processes has led several countries to create stricter environmental legislation for the treatment of industrial effluents. Since, to meet legal requirements, the degradation of these chemical dyes must have a low environmental impact and high removal efficiency. This study performed the Life Cycle Analysis (LCA) of the degradation of dyes in 1 m³ of effluent, through advanced oxidative processes, using the Photo-Fenton process. For the Life Cycle Inventory (ICV), the compounds Hydrogen Peroxide (H2O2) and Iron (II) Sulphate (FeSO4) were considered. The methodology for calculating environmental impacts was ReCiPe 2016 Midpoint (I) V1.04 / World (2010) I and the impact categories of the studies were: Global Warming, Freshwater Eutrophication, Freshwater Ecotoxicity and Human Carcinogenic Toxicity. The sensitivity analysis occurred in comparison with the methodologies: IPCC 2013 GWP 20a V1.03 and CML-IA baseline V3.06 / World 2000. All simulations occurred in the SimaPro® software, Faculty version, and pointed to H2O2 as an important contributing agent, along with the secondary products formed by the degradation of the dyes by the Photo-Fenton process, for the environmental impacts of this treatment.Keywords: Life Cycle Analysis, Dye Degradation, Photo-Fenton Pr","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"30 1","pages":"589-594"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82143113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dry Solvents for Batteries: Equilibrium Study of Water Adsorption from Dimethyl Sulfoxide Using 3A Zeolite 电池用干溶剂:3A沸石吸附二甲亚砜的平衡研究
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186183
J. Silva, Guilherme Eduardo Ignácio, Thayane C. M. Nepel, G. Doubek, R. M. Filho
{"title":"Dry Solvents for Batteries: Equilibrium Study of Water Adsorption from Dimethyl Sulfoxide Using 3A Zeolite","authors":"J. Silva, Guilherme Eduardo Ignácio, Thayane C. M. Nepel, G. Doubek, R. M. Filho","doi":"10.3303/CET2186183","DOIUrl":"https://doi.org/10.3303/CET2186183","url":null,"abstract":"Research for new and inexpensive energy storage technologies has been increasing in recent years due to the need to store power from intermittent sources such as wind and solar power. Among these advanced energy storage technologies, the Li-O2 battery is described as a suitable candidate because of its high theoretical energy density. Research has been focused on the development of suitable electrodes and electrolytes to allow high energy density and high cyclability, being the latter one of the main challenges. Poor cyclability is often related to undesirable reactions, and one of the sources of this problem is the presence of water in the electrolyte. Nevertheless, it has been shown that trace amounts of water can also catalyze desirable reaction steps in the operation of a Li-O2 battery. Therefore, careful control of water content in the electrolyte of Li-O2 batteries becomes an important task. In this context, this work presents the equilibrium study of water adsorption from dimethyl sulfoxide, a solvent commonly considered for electrolytes of Li-O2 batteries, using 3A zeolites as the adsorbate. Batch adsorption experiments with different concentrations of water and mass of adsorbate were combined to determine the water removal capacity at different conditions of temperature (20 °C, 35 °C, and 50 °C). Adsorption data were fitted to adsorption models (Langmuir, Freundlich, and Dubinin-Radushkevich) to obtain their constants. Additionally, the regeneration of zeolites was evaluated. These data have the potential to be used by other researchers in the development of Li-O2 batteries with electrolytes with precisely controlled water content.","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"107 1","pages":"1093-1098"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80797003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Selective Leaching of Precious Metals from Electrical and Electronic Equipment Through Hydrometallurgical Methods 用湿法冶金法从电气和电子设备中选择性浸出贵金属
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186174
P. Trucillo, A. Lancia, D. D'Amore, Bruno Brancato, F. Natale
{"title":"Selective Leaching of Precious Metals from Electrical and Electronic Equipment Through Hydrometallurgical Methods","authors":"P. Trucillo, A. Lancia, D. D'Amore, Bruno Brancato, F. Natale","doi":"10.3303/CET2186174","DOIUrl":"https://doi.org/10.3303/CET2186174","url":null,"abstract":"The rapid human evolution has improved the quality of our lives through the use of technology. This not only resulted in increased raw materials extraction but also in the production of a worrying amount of electronic wastes. Indeed, in 2019 worldwide production of Electronic and Electric Equipment Waste (WEEE) was worth 50 million tons, causing several disadvantages such as the reduced space in landfills and massive shipping to countries with less restrictive regulations. On the other side, the billionaire electrical devices market is causing a significant increase in Precious Metals (PM) demand. Nowadays, the economic importance of PMs is as high as their supply risk. The answer to this problem consists of finding selective methods to extract and raffinate precious metals from disposed WEEE.On average, WEEEs contain around 30 % of plastics, 30 % ceramics, and 40 % metals; among these only around 0.1 % is characterized by PMs, such as gold, silver, rhodium, platinum, and palladium. The separation of PMs from other non-precious components is generally obtained using pyrometallurgy, which consists of fusing the wastes at temperatures up to 1500 ÷ 1700 °C. However, this method produces toxic gaseous by-products and implies high energy costs. A possible alternative is given by hydrometallurgical processes, consisting of leaching the WEEE with solutions containing acids and oxidants at temperatures lower than 100°C. One of the main issues of the hydrometallurgical process is to leach copper and other non-precious base-metals selectively while keeping PMs in the solid-state.In this work, we report preliminary results of equilibrium and kinetic leaching tests in a well-stirred batch reactor, aimed at the optimization of the main operating parameters of a hydrometallurgical process for selective leaching of copper and other base-metals from Wasted Printed Circuit Boards (WPCBs). In particular, experiments have been carried out at different HCl and NaCl concentrations of the leaching solutions, exploring also the effect of temperature variation (20, 50, and 70 °C).","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"20 1","pages":"1039-1044"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82491572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Molecular Features and Transport Properties of Dbu Based Protic Ionic Liquids Dbu基质子离子液体的分子特征及输运性质
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186188
G. A. Souza, M. E. Pietro, G. B. Appetecchi, A. Mele
{"title":"Molecular Features and Transport Properties of Dbu Based Protic Ionic Liquids","authors":"G. A. Souza, M. E. Pietro, G. B. Appetecchi, A. Mele","doi":"10.3303/CET2186188","DOIUrl":"https://doi.org/10.3303/CET2186188","url":null,"abstract":"High vapor pressure and flammability are some disadvantages of organic solvents currently used in chemical processes. In this scenario, protic ionic liquids (PILs) became a promising alternative to replace conventional solvents due to their interesting physicochemical properties. Understanding the charge transport and molecular features governing PILs is still required to allow their implementation in current and new technologies. Thus, the present work reports the study of PILs based on the 1,8-diazabicyclo-[5,4,0]-undec-7-ene (DBU) cation and two anions obtained from strong acids, trifluoromethylsulfonate (TFO-) and bis(trifluoromethylsulfonyl)imide (TFSI-) using different NMR techniques. 1H NMR spectra confirm that the high acidity of the PILs constituents is a determinant factor governing their features. Moreover, information on the transport properties of the PILs is obtained by diffusion NMR. The results show a peculiar behavior of the acidic proton, indicative of a different mechanism of charge transport in these systems.","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"38 1","pages":"1123-1128"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78660488","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Process Design for the Extraction of Bioactive Compounds from Several Mediterranean Medicinal Plants 几种地中海药用植物中生物活性成分的提取工艺设计
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186222
Konstantina M. Laina, P. Eleni, Konstantina G. Tsitseli, M. Krokida
{"title":"Process Design for the Extraction of Bioactive Compounds from Several Mediterranean Medicinal Plants","authors":"Konstantina M. Laina, P. Eleni, Konstantina G. Tsitseli, M. Krokida","doi":"10.3303/CET2186222","DOIUrl":"https://doi.org/10.3303/CET2186222","url":null,"abstract":"The objective of this study was the optimization of the extraction process of several medicinal plants of the Mediterranean flora, and their extracts’ further evaluation regarding their potential biological activity. This work aimed to design and optimize the extraction method for recovering the targeted compounds from rosemary (Rosmarinus officinalis), St. John’s wort (Hypericum perforatum) and chamomile (Matricaria recutita) towards the extraction yield and quality of the extracts.Raw materials were collected, dried, and ground in desired particle sizes (200, 500, 1000 µm). Ethanol was used as solvent; and extraction was performed using conventional extraction methods (Soxhlet), as well as novel extraction techniques (Ultrasound Assisted Extraction (UAE), Microwave Assisted Extraction (MAE) and their combination (UAE-MAE)). The optimized parameters were Ultrasound and Microwave intensity, and extraction time. All extracts were evaluated towards their total phenolic content (TPC), total flavonoid content (TFC) and antioxidant activity. TPC was determined by Folin–Ciocalteu method, while the antioxidant activity was estimated with the DPPH assay.Optimum particle size was 500 µm for rosemary, and 1000 µm for both St. John’s wort and chamomile. In general, the increase of extraction time leads to increase of efficiency. However, the extraction time is not an independent variable, since the ultrasound and microwave intensities affect the yield. In specific, the increment of intensity in both techniques, as well as their combination, increases the efficiency of the extraction and reduces the time. Moreover, it was observed that after a certain intensity value the yield remains constant or slightly decreases, due to degradation phenomena. Thus, the optimum ultrasound intensity for rosemary and chamomile was 450 W, while for St. John’s wort was 700 W. Regarding microwave extraction parameters, for all tested plants the value of 200 W was selected as optimum, except for St. John’s wort (200 W). The optimum set of values were also selected for UAE-MAE. Results also indicate that the extracts were rich in phenolic compounds, possessing also a remarkable antioxidant activity in all the organic solvent systems tested.","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"2 1","pages":"1327-1332"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89200226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Life Cycle Assessment of Bio-methanol Derived from Various Raw-materials 不同原料生物甲醇的生命周期评价
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186112
Ş. Galusnyak, L. Petrescu, Dora-Andreea Chisalita, C. Cormos
{"title":"Life Cycle Assessment of Bio-methanol Derived from Various Raw-materials","authors":"Ş. Galusnyak, L. Petrescu, Dora-Andreea Chisalita, C. Cormos","doi":"10.3303/CET2186112","DOIUrl":"https://doi.org/10.3303/CET2186112","url":null,"abstract":"Bio-methanol production from biomass or from carbon dioxide and hydrogen, generated using renewable electricity, are considered to be sustainable routes nowadays. The aim of the present study consists on the environmental evaluation of bio-methanol production using Life Cycle Assessment (LCA) methodology. Two different bio-methanol production processes such as bio-methanol production from an external CO2 stream and H2 from water electrolysis, electricity being produced using various sources (i.e. biomass, solar, wind, and hydro or mix electricity) as well as woody biomass gasification for syngas production, syngas being further transformed into bio-methanol, are considered in the current study. The processes were simulated using computer aided design tools (i.e. ChemCAD and Aspen Plus process simulators). The environmental assessment is carried out using GaBi software. The LCA is a cradle-to-gate study with the following system boundaries: a) upstream processes (i.e. biomass, solvent and electricity supply chains, H2 production, catalysts production and transportation); b) main processes: bio-methanol production through direct gasification and from CO2 hydrogenation and c) downstream processes: solvent degradation and disposal of wastes. The production of one ton of bio-methanol was considered as functional unit in the present investigation. ReCIPe method was chosen as life cycle impact assessment method. Purities higher than 99% are obtained for the main product. Significant environmental impact categories (i.e. Global Warming Potential, Human Toxicity Potential, Fossil Depletion Potential) are discussed and the influence of various sub-processes is investigated. For instance, the best result in terms of Human Toxicity Potential, 12.30 kg 1,4-DB eq./tMeOH, was obtained in the case of hydroelectric sources, while the same indicator was at least two times higher for other scenarios. From the environmental point of view, the scenario which relies on hydroelectric power performed better in six out of nine environmental impact categories as compared to other scenarios, being succeeded by the one considering wind power as electricity source.","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"145 1","pages":"667-672"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86582567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Estimating Polymer Properties and Practicing Statistical Tools in Undergraduate Level through Simple Experiments 通过简单实验估计聚合物性质并在本科阶段实践统计工具
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186230
M. Soares, T. Cabral, G. Perli, J. M. Bressanin, J. Bartoli
{"title":"Estimating Polymer Properties and Practicing Statistical Tools in Undergraduate Level through Simple Experiments","authors":"M. Soares, T. Cabral, G. Perli, J. M. Bressanin, J. Bartoli","doi":"10.3303/CET2186230","DOIUrl":"https://doi.org/10.3303/CET2186230","url":null,"abstract":"This paper presents a practical laboratory approach on polymer melt flow rate and stress-strain testing to teach undergraduate students how to measure important properties of molten and solid plastics. They may learn how to obtain parameters that are important for: quality control; processing; engineering design on polymer and petrochemical industries; and even in materials selection for engineering applications. Starting from a database obtained from this traditional practice, statistical tools for data analysis were applied. Four different grades of commercial polypropylene were studied, and the 95 % confidence intervals of different parameters were compared with the suppliers’ catalogue data. This pedagogical approach aims to add a statistical point of view to laboratory experiments and to complement the learning.","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"2014 1","pages":"1375-1380"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86621868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Business Intelligence for the Analysis of Industrial Accidents Based on Mhidas Database 基于Mhidas数据库的工业事故分析商业智能
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186039
A. J. N. Akel, R. Patriarca, G. D. Gravio, G. Antonioni, N. Paltrinieri
{"title":"Business Intelligence for the Analysis of Industrial Accidents Based on Mhidas Database","authors":"A. J. N. Akel, R. Patriarca, G. D. Gravio, G. Antonioni, N. Paltrinieri","doi":"10.3303/CET2186039","DOIUrl":"https://doi.org/10.3303/CET2186039","url":null,"abstract":"Reducing the frequency and severity of accidents in industrial processes is a continuous open challenge. Learning from previous events represents a crucial instrument to ensure an improved design of industrial plants, especially considering the complexity arising in everyday operations. This article is grounded on a database of industrial accidents involving hazardous substances and materials. The Major Hazard Incident Data Service (MHIDAS) was developed in 1986 by the Health and Safety Executive (HSE) to provide a reliable source of data on major hazard incidents and to learn for the past accidents. The database has more than 9000 accident reports covering the periods from 1950 to the end of the 1990s caused by hazardous substances/materials. This paper aims are to provide an understanding of MHIDAS data through quantitative analyses that can be obtained by exploiting the information collected through appropriate data management tools. Therefore, Information Technology (IT) services such as Business Intelligence (BI) tools have been used in this research. The paper describes the process of creating a BI model for data management on MHIDAS database to generate useful information on previous industrial safety events, allowing a detailed search engine as well through any event stored in MHIDAS.","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"9 1","pages":"229-234"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88100984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Nutrient Enrichment of Wastewater Generated During Hydraulic Fracturing with Animal Wastewater to Enhance Microalgae Growth 动物废水富集水力压裂废水营养物促进微藻生长
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186020
Giovanni Antonio Lutzu, M. A. Marin, A. Concas, N. Dunford
{"title":"Nutrient Enrichment of Wastewater Generated During Hydraulic Fracturing with Animal Wastewater to Enhance Microalgae Growth","authors":"Giovanni Antonio Lutzu, M. A. Marin, A. Concas, N. Dunford","doi":"10.3303/CET2186020","DOIUrl":"https://doi.org/10.3303/CET2186020","url":null,"abstract":"Hydraulic fracturing technology widely used for recovery of oil and gas from tight shale formations generate millions of gallons of wastewater. This study examined viability of algal remediation of the hydraulic fracturing wastewater (HFWW). Our previous studies have shown that although Oklahoma native algae strains can grow in HFWW, cell growth was constrained by the low nutrient concentrations in HFWW. Hence, the goal of this study was to examine the effect of nutrient supplementation of HFWW with another nutrient rich wastewater on microalgae growth. An Oklahoma, USA, native algae strain, Picochlorum oklahomensis, was selected for the study because of its high biomass productivity in wastewater. This study demonstrated that P. oklahomensis can grow in HFWW. Supplementation of the HFWW with animal wastewater enhanced biomass productivity and lipid content of the biomass. Chemical compositions of the wastewater before and after algae growth were significantly different indicating substantial amount of contaminant removal.","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"44 1","pages":"115-120"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79056655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bridging the Gaps: from Particle-resolved to Multi-tubular Reactor Simulation 弥合差距:从粒子解决多管反应堆模拟
Chemical engineering transactions Pub Date : 2021-06-15 DOI: 10.3303/CET2186141
T. Eppinger, R. Aglave
{"title":"Bridging the Gaps: from Particle-resolved to Multi-tubular Reactor Simulation","authors":"T. Eppinger, R. Aglave","doi":"10.3303/CET2186141","DOIUrl":"https://doi.org/10.3303/CET2186141","url":null,"abstract":"Packed bed reactors have been widely used in the chemical and process industry for several decades. They can be difficult to design and operate due to their size and complexity. Therefore, there is still room for improvement of the performance of these reactors and rigorous simulations can help here to achieve desired goals with lower upfront investment. Recent advances in modeling particle-resolved packed beds allows a detailed inside in the flow, species and temperature distribution in the beds and therefore also into the conversion of the surface reactions. Based on these simulations, model parameters for 1D-models can be estimated. These 1-D models can then be used to calculate performance of multi-tubular reactors, either by running a computationally expensive simulation with resolved tubes or by coupling the CFD simulation to an advanced process modeling tool like gPROMS. In the latter case, the flow non-uniformity as well as certain flow properties like coolant velocity and temperature is taken from the CFD simulations, while on the process modeling side heat transfer and reactions in the packed bed are calculated based on the simplified 1D models. This modeling approach is fully 2-way coupled and highly efficient in terms of accuracy and especially runtime and it can be embedded into a flow sheet simulation.In this contribution, we will present the whole simulation process and how the different steps intertwine with each other starting from the detailed particle resolved simulation all the way down to the flow sheet simulation. The benefit of this approach will be demonstrated based on several examples.","PeriodicalId":9695,"journal":{"name":"Chemical engineering transactions","volume":"2 1","pages":"841-846"},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79563803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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