Pub Date : 2024-10-19DOI: 10.1016/j.cherd.2024.10.018
Shuaifeng Chen , Guotao Zhang , Zhaochang Wang , Baohong Tong , Yanhong Sun , Deyu Tu
The nanoscale pore gives rich dynamic information to the flow behavior of the droplets exuded on the SLIPS (Smooth Liquid-Infused Porous Surface). The key to realizing fast self-healing of lubricating film is to understand the dynamic law of droplets at nano-orifice. In this paper, a dynamics model of the exudation and spreading behavior is established by the non-equilibrium molecular dynamics simulation. The characteristics and the mechanism of pinning and spreading of nano-droplets were studied. We found that adjusting the wettability and pore diameter can change the liquid exudation and the pinning time of droplets at the orifice. The weaker wettability and larger pore diameter both can increase the exudation velocity and reduce the pinning time of the droplets, which then improves the spreading of exuded droplets and the self-repairing efficiency of the damaged liquid film. As the pore diameter increases, the spreading area of the droplets on the surface of the pore increases. The increase in the wettability also facilitates the spreading behavior, but the outflow rate of the liquid from the pore decreases. Under the combined effect of the two factors, the spreading area of droplets first increases and then decreases with the wettability increases. The results provide potential insights into the spreading mechanism of nanodroplets on porous surfaces.
{"title":"The pinning characteristics of droplets and the self-repair mechanism of lubricating film on nanoporous surface: A molecular dynamics perspective","authors":"Shuaifeng Chen , Guotao Zhang , Zhaochang Wang , Baohong Tong , Yanhong Sun , Deyu Tu","doi":"10.1016/j.cherd.2024.10.018","DOIUrl":"10.1016/j.cherd.2024.10.018","url":null,"abstract":"<div><div>The nanoscale pore gives rich dynamic information to the flow behavior of the droplets exuded on the SLIPS (Smooth Liquid-Infused Porous Surface). The key to realizing fast self-healing of lubricating film is to understand the dynamic law of droplets at nano-orifice. In this paper, a dynamics model of the exudation and spreading behavior is established by the non-equilibrium molecular dynamics simulation. The characteristics and the mechanism of pinning and spreading of nano-droplets were studied. We found that adjusting the wettability and pore diameter can change the liquid exudation and the pinning time of droplets at the orifice. The weaker wettability and larger pore diameter both can increase the exudation velocity and reduce the pinning time of the droplets, which then improves the spreading of exuded droplets and the self-repairing efficiency of the damaged liquid film. As the pore diameter increases, the spreading area of the droplets on the surface of the pore increases. The increase in the wettability also facilitates the spreading behavior, but the outflow rate of the liquid from the pore decreases. Under the combined effect of the two factors, the spreading area of droplets first increases and then decreases with the wettability increases. The results provide potential insights into the spreading mechanism of nanodroplets on porous surfaces.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"211 ","pages":"Pages 367-378"},"PeriodicalIF":3.7,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533588","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 : 2024-10-18DOI: 10.1016/j.cherd.2024.10.019
Jingsen Feng, Yang Liu, Jingchun Min
Viscous coupling effect plays a significant role in immiscible two-phase flow within porous media, while its influence on relative permeability remains uncertain. In this paper, an improved MRT-based viscosity-modified multicomponent multiphase (MCMP) pseudopotential lattice Boltzmann model, capable of handling high viscosity ratio, is employed to simulate two-phase flow with different viscosities in a cross-array circular structure and a real rock structure, respectively. The applicability of this model for two-phase flow with various viscosity ratios has been verified by some typical tests. Systematically, the effects of viscosity ratio, structural configuration, and wetting condition on the relative permeability curves are investigated in conjunction with their component distributions and velocity fields at different two-phase saturations. These results indicate that due to the two-phase flow competition under different structural conditions, the viscous coupling effect has varying degrees of impacts on the mobility of thin phase and viscous phase. Further, the mechanism of two-phase lubricating effect is also discussed under different wetting conditions at Darcy flow regime.
{"title":"A pore-scale investigation of viscous coupling effect on immiscible two-phase flow in porous media","authors":"Jingsen Feng, Yang Liu, Jingchun Min","doi":"10.1016/j.cherd.2024.10.019","DOIUrl":"10.1016/j.cherd.2024.10.019","url":null,"abstract":"<div><div>Viscous coupling effect plays a significant role in immiscible two-phase flow within porous media, while its influence on relative permeability remains uncertain. In this paper, an improved MRT-based viscosity-modified multicomponent multiphase (MCMP) pseudopotential lattice Boltzmann model, capable of handling high viscosity ratio, is employed to simulate two-phase flow with different viscosities in a cross-array circular structure and a real rock structure, respectively. The applicability of this model for two-phase flow with various viscosity ratios has been verified by some typical tests. Systematically, the effects of viscosity ratio, structural configuration, and wetting condition on the relative permeability curves are investigated in conjunction with their component distributions and velocity fields at different two-phase saturations. These results indicate that due to the two-phase flow competition under different structural conditions, the viscous coupling effect has varying degrees of impacts on the mobility of thin phase and viscous phase. Further, the mechanism of two-phase lubricating effect is also discussed under different wetting conditions at Darcy flow regime.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"211 ","pages":"Pages 379-390"},"PeriodicalIF":3.7,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533589","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 : 2024-10-18DOI: 10.1016/j.cherd.2024.10.017
Girim Shin , Dela Q. Gbadago , Yunjeong Do , Sungwon Hwang
In industrial-scale operations, wet electrostatic precipitators (WESPs) are used to minimize particulate matter, employing atomizers such as single-fluid and twin-fluid atomizers (TFAs). While TFAs provide several benefits over single-fluid atomizers, quantifying their spray characteristics is more complex, necessitating comprehensive case studies to design the internal structure of the spray and achieve desired properties. This study employed computational fluid dynamics (CFD) to simulate the internal and external flow phenomena of TFAs in industrial-scale WESPs, aiming to facilitate various parametric studies by reducing the high computational costs associated with analyzing high-speed internal flows and particle dynamics within the spray system. To decrease computational costs, the simulation was divided into two parts using stepwise segregated scenarios: Part I focused on the high-cost internal flow analysis, examining the spatiotemporal evolution of internal flow until it is fully developed, followed by droplet size distribution estimation at the nozzle. Part II computed the external flow of the spray, assessed potential cost reductions by examining the interactions between dispersed droplets, and validated the spray angle, penetration, and coverage against experimental data. The segregated strategy employed mapping techniques to integrate the two parts seamlessly. The simulation results closely matched the experimental benchmarks for spray angle, penetration, and coverage within a minimal error margin (< 5 %), demonstrating the model’s accuracy in capturing actual spray phenomena in TFAs. This approach significantly reduced the computational cost by more than twentyfold compared to conventional one-step solvers, offering a viable method for conducting various case studies in spray CFD simulations.
{"title":"Computationally cost-efficient analysis of the flow behavior of twin-fluid atomizers using computational fluid dynamics","authors":"Girim Shin , Dela Q. Gbadago , Yunjeong Do , Sungwon Hwang","doi":"10.1016/j.cherd.2024.10.017","DOIUrl":"10.1016/j.cherd.2024.10.017","url":null,"abstract":"<div><div>In industrial-scale operations, wet electrostatic precipitators (WESPs) are used to minimize particulate matter, employing atomizers such as single-fluid and twin-fluid atomizers (TFAs). While TFAs provide several benefits over single-fluid atomizers, quantifying their spray characteristics is more complex, necessitating comprehensive case studies to design the internal structure of the spray and achieve desired properties. This study employed computational fluid dynamics (CFD) to simulate the internal and external flow phenomena of TFAs in industrial-scale WESPs, aiming to facilitate various parametric studies by reducing the high computational costs associated with analyzing high-speed internal flows and particle dynamics within the spray system. To decrease computational costs, the simulation was divided into two parts using stepwise segregated scenarios: Part I focused on the high-cost internal flow analysis, examining the spatiotemporal evolution of internal flow until it is fully developed, followed by droplet size distribution estimation at the nozzle. Part II computed the external flow of the spray, assessed potential cost reductions by examining the interactions between dispersed droplets, and validated the spray angle, penetration, and coverage against experimental data. The segregated strategy employed mapping techniques to integrate the two parts seamlessly. The simulation results closely matched the experimental benchmarks for spray angle, penetration, and coverage within a minimal error margin (< 5 %), demonstrating the model’s accuracy in capturing actual spray phenomena in TFAs. This approach significantly reduced the computational cost by more than twentyfold compared to conventional one-step solvers, offering a viable method for conducting various case studies in spray CFD simulations.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"212 ","pages":"Pages 97-109"},"PeriodicalIF":3.7,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142573098","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 : 2024-10-17DOI: 10.1016/j.cherd.2024.10.016
Leandro G. Aguiar , William M. Godoy , Nuno A.B.S. Graça , Alírio E. Rodrigues
A novel mathematical model for resin-catalyzed reactions, incorporating dynamic variations in the resin's swelling index, internal mass transfer resistances, non-ideal liquid mixtures, and limited site accessibility, was developed. The Langmuir-Hinshelwood-Hougen-Watson (LHHW) mechanism, considering water adsorption, was used. Validation with experimental solketal synthesis data in ethanol (R² = 0.96) and solventless systems (R² = 0.99) was successful. A copolymerization model estimated the resin's swelling and accessibility features, using Karam and Tien’s algorithm to obtain linear swelling data correlated with glycerol conversion (R² = 0.9995). Incorporating these linear equations into the catalysis model indicated glycerol conversion could be up to four times higher than in unswollen systems due to increased porosity and decreased tortuosity. Gibbs free energies of 4.7 ± 0.9 kJ mol−1 (solvent) and 12.1 ± 0.6 kJ mol−1 (solventless) were found, with a reaction rate constant of 109 s−1 at 313 K on the catalytic sites.
结合树脂溶胀指数的动态变化、内部传质阻力、非理想液体混合物以及有限位点的可及性，建立了树脂催化反应的新型数学模型。在考虑水吸附的情况下，采用了 Langmuir-Hinshelwood-Hougen-Watson (LHHW) 机制。成功验证了乙醇（R² = 0.96）和无溶剂体系（R² = 0.99）中的溶酮合成实验数据。共聚模型利用 Karam 和 Tien 算法估算了树脂的溶胀性和可及性特征，得到了与甘油转化率相关的线性溶胀数据（R² = 0.9995）。将这些线性方程纳入催化模型表明，由于孔隙率增加和曲折度降低，甘油转化率可比未溶胀体系高出四倍。催化位点上的吉布斯自由能分别为 4.7 ± 0.9 kJ mol-1（有溶剂）和 12.1 ± 0.6 kJ mol-1（无溶剂），313 K 时的反应速率常数为 109 s-1。
{"title":"Resin-catalyzed reaction modeling integrating catalyst swelling and sites accessibility: Application to solketal synthesis","authors":"Leandro G. Aguiar , William M. Godoy , Nuno A.B.S. Graça , Alírio E. Rodrigues","doi":"10.1016/j.cherd.2024.10.016","DOIUrl":"10.1016/j.cherd.2024.10.016","url":null,"abstract":"<div><div>A novel mathematical model for resin-catalyzed reactions, incorporating dynamic variations in the resin's swelling index, internal mass transfer resistances, non-ideal liquid mixtures, and limited site accessibility, was developed. The Langmuir-Hinshelwood-Hougen-Watson (LHHW) mechanism, considering water adsorption, was used. Validation with experimental solketal synthesis data in ethanol (R² = 0.96) and solventless systems (R² = 0.99) was successful. A copolymerization model estimated the resin's swelling and accessibility features, using Karam and Tien’s algorithm to obtain linear swelling data correlated with glycerol conversion (R² = 0.9995). Incorporating these linear equations into the catalysis model indicated glycerol conversion could be up to four times higher than in unswollen systems due to increased porosity and decreased tortuosity. Gibbs free energies of 4.7 ± 0.9 kJ mol<sup>−1</sup> (solvent) and 12.1 ± 0.6 kJ mol<sup>−1</sup> (solventless) were found, with a reaction rate constant of 109 s<sup>−1</sup> at 313 K on the catalytic sites.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"212 ","pages":"Pages 58-70"},"PeriodicalIF":3.7,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142573095","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 : 2024-10-16DOI: 10.1016/j.cherd.2024.10.015
Dadullah Khudayar , Juma Haydary , Mehdi Mehrpooya , Seyed Mohammad Ali Moosavian
This study presents a model and analysis of a heliostat field collector (HFC) system integration with fast-pyrolysis of biomass and determination of the optimal solar system size for this integrated system. Given the intermittent nature of solar energy, an auxiliary heater and a thermochemical energy storage system (TCES) are included. Four cases of HFC integration with the fast-pyrolysis process have been studied: 1) low solar radiation, 2) sufficient solar radiation, 3) high solar radiation, and 4) no solar radiation with available stored energy in TCES. The solar energy system was modeled and calculated using the Engineering Equation Solver (EES) software, while the fast-pyrolysis process and the TCES were simulated using the Aspen Plus software. A thermodynamic and economic analysis has been conducted to estimate the share of solar energy for different process configurations. Economic calculations have been conducted for three different heliostat filed areas: 4000, 8000, and 12000 m2. Solar fraction, investment and operational costs, as well as total cost were calculated for these three heliostat field areas. The results indicate that the optimum heliostat field area for the studied biomass pyrolysis plant is 8000 m2 and the average solar fraction of the required energy in summer is 0.39 and while it is 0.34 for the whole year. Simulation results considering this optimized heliostat filed area indicate that 6.27 t/h of bio-oil is produced from 10 t/h of hybrid poplar biomass. Implementing this solar-assisted system reduces CO2 emissions, increases efficiency of the system and lowers thermal energy requirement for the fast-pyrolysis process from 6 MW to 3.99 MW.
{"title":"Integration of energy storage and determination of optimal solar system size for biomass fast-pyrolysis","authors":"Dadullah Khudayar , Juma Haydary , Mehdi Mehrpooya , Seyed Mohammad Ali Moosavian","doi":"10.1016/j.cherd.2024.10.015","DOIUrl":"10.1016/j.cherd.2024.10.015","url":null,"abstract":"<div><div>This study presents a model and analysis of a heliostat field collector (HFC) system integration with fast-pyrolysis of biomass and determination of the optimal solar system size for this integrated system. Given the intermittent nature of solar energy, an auxiliary heater and a thermochemical energy storage system (TCES) are included. Four cases of HFC integration with the fast-pyrolysis process have been studied: 1) low solar radiation, 2) sufficient solar radiation, 3) high solar radiation, and 4) no solar radiation with available stored energy in TCES. The solar energy system was modeled and calculated using the Engineering Equation Solver (EES) software, while the fast-pyrolysis process and the TCES were simulated using the Aspen Plus software. A thermodynamic and economic analysis has been conducted to estimate the share of solar energy for different process configurations. Economic calculations have been conducted for three different heliostat filed areas: 4000, 8000, and 12000 m<sup>2</sup>. Solar fraction, investment and operational costs, as well as total cost were calculated for these three heliostat field areas. The results indicate that the optimum heliostat field area for the studied biomass pyrolysis plant is 8000 m<sup>2</sup> and the average solar fraction of the required energy in summer is 0.39 and while it is 0.34 for the whole year. Simulation results considering this optimized heliostat filed area indicate that 6.27 t/h of bio-oil is produced from 10 t/h of hybrid poplar biomass. Implementing this solar-assisted system reduces CO<sub>2</sub> emissions, increases efficiency of the system and lowers thermal energy requirement for the fast-pyrolysis process from 6 MW to 3.99 MW.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"211 ","pages":"Pages 343-355"},"PeriodicalIF":3.7,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533590","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 : 2024-10-16DOI: 10.1016/j.cherd.2024.10.014
Qian Liu , Youyi Liang , Chunying Liu , Jiaqi Xue , Hao Zhang , Renfu Tu , Xueqing Zou , Yongtu Liang
The crude oil supply chain involves production, transportation, refining, marketing, storage and trade, characterized by numerous interconnected links and complex interrelationships. Enhancing the overall value of crude oil supply chains depends on the coordinated development of their upper, middle and lower reaches. However, the absence of a scientific and objective evaluation index system for collaborative development within the crude oil industry precludes identification of weak links that require improvement, thereby impeding decision-making in supply chain development. This study aims to develop an integrated and coordinated development evaluation index system for crude oil supply chains, providing a crucial reference framework for scientific evaluation, guidance, and assessment of crude oil supply chains. Taking China's crude oil supply chain as a case study, this research analyzes the current state of crude oil supply chain research and employs the 5 dimensions of SCOR as the primary evaluation index to examine production, transportation, refining, marketing, storage, and trading. An evaluation index system for integrated and coordinated development of the crude oil supply chain is presented, followed by the development of an evaluation model combining the combination weighting method with the TOPSIS approach. The index system and model established in this study are applied to PetroChina. The findings indicate that PetroChina achieved the highest integration and coordination level in 2021, with a score of 0.578, attributed to optimal supply chain efficiency; conversely, the integration coordination degree in 2017 was subpar, with a score of only 0.468, primarily due to the supply chain's lack of responsiveness. This evaluation index system and model offer a comprehensive assessment of the development in each link and aspect within the supply chain, which can intuitively reflect the weak points of the supply chain and provide essential theoretical support for integrated and coordinated development of PetroChina.
{"title":"Developing an integrated and collaborated evaluation index system for crude oil supply chains: A case study from China","authors":"Qian Liu , Youyi Liang , Chunying Liu , Jiaqi Xue , Hao Zhang , Renfu Tu , Xueqing Zou , Yongtu Liang","doi":"10.1016/j.cherd.2024.10.014","DOIUrl":"10.1016/j.cherd.2024.10.014","url":null,"abstract":"<div><div>The crude oil supply chain involves production, transportation, refining, marketing, storage and trade, characterized by numerous interconnected links and complex interrelationships. Enhancing the overall value of crude oil supply chains depends on the coordinated development of their upper, middle and lower reaches. However, the absence of a scientific and objective evaluation index system for collaborative development within the crude oil industry precludes identification of weak links that require improvement, thereby impeding decision-making in supply chain development. This study aims to develop an integrated and coordinated development evaluation index system for crude oil supply chains, providing a crucial reference framework for scientific evaluation, guidance, and assessment of crude oil supply chains. Taking China's crude oil supply chain as a case study, this research analyzes the current state of crude oil supply chain research and employs the 5 dimensions of SCOR as the primary evaluation index to examine production, transportation, refining, marketing, storage, and trading. An evaluation index system for integrated and coordinated development of the crude oil supply chain is presented, followed by the development of an evaluation model combining the combination weighting method with the TOPSIS approach. The index system and model established in this study are applied to PetroChina. The findings indicate that PetroChina achieved the highest integration and coordination level in 2021, with a score of 0.578, attributed to optimal supply chain efficiency; conversely, the integration coordination degree in 2017 was subpar, with a score of only 0.468, primarily due to the supply chain's lack of responsiveness. This evaluation index system and model offer a comprehensive assessment of the development in each link and aspect within the supply chain, which can intuitively reflect the weak points of the supply chain and provide essential theoretical support for integrated and coordinated development of PetroChina.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"211 ","pages":"Pages 405-420"},"PeriodicalIF":3.7,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533591","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 : 2024-10-13DOI: 10.1016/j.cherd.2024.10.011
Qingjin Zhang , Liangliang Fu , Guangwen Xu , Dingrong Bai
The successful design and operation of high-temperature gas-solid fluidized bed reactors require a deep understanding of interparticle forces (IPFs). However, experimentally quantifying IPFs at elevated temperatures has been a significant challenge due to the lack of suitable methods. This study addresses this gap by introducing a simple yet reliable experimental approach to quantify IPFs in a gas-solid fluidized bed across a temperature range from ambient to 1500 °C. The experimental results reveal that IPFs increase gradually with temperatures up to 1200 °C and become more pronounced at higher temperatures. Smaller particles, or those prone to changes in morphological, structural, and chemical properties—such as softening, sintering, or the formation of low-melting-point eutectic compounds at high temperatures—intensify IPFs significantly. This phenomenon is corroborated by our experiments and comparison with literature data across various temperatures and particle types. Finally, two empirical correlations are proposed to predict IPFs as temperature and particle diameter functions for coarse particles in high-temperature fluidized beds. These findings enhance the understanding of IPFs in high-temperature fluidized beds and are valuable for developing such systems for industrial applications.
{"title":"Experimental quantification of interparticle forces in gas-solid fluidized beds operating at temperatures from ambient to 1500 °C","authors":"Qingjin Zhang , Liangliang Fu , Guangwen Xu , Dingrong Bai","doi":"10.1016/j.cherd.2024.10.011","DOIUrl":"10.1016/j.cherd.2024.10.011","url":null,"abstract":"<div><div>The successful design and operation of high-temperature gas-solid fluidized bed reactors require a deep understanding of interparticle forces (IPFs). However, experimentally quantifying IPFs at elevated temperatures has been a significant challenge due to the lack of suitable methods. This study addresses this gap by introducing a simple yet reliable experimental approach to quantify IPFs in a gas-solid fluidized bed across a temperature range from ambient to 1500 °C. The experimental results reveal that IPFs increase gradually with temperatures up to 1200 °C and become more pronounced at higher temperatures. Smaller particles, or those prone to changes in morphological, structural, and chemical properties—such as softening, sintering, or the formation of low-melting-point eutectic compounds at high temperatures—intensify IPFs significantly. This phenomenon is corroborated by our experiments and comparison with literature data across various temperatures and particle types. Finally, two empirical correlations are proposed to predict IPFs as temperature and particle diameter functions for coarse particles in high-temperature fluidized beds. These findings enhance the understanding of IPFs in high-temperature fluidized beds and are valuable for developing such systems for industrial applications.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"211 ","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142442674","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 : 2024-10-11DOI: 10.1016/j.cherd.2024.10.013
Mohamad Roostaei, Reza Eslamloueyan
The reaction-separation-recycle (RSR) systems are an important part of chemical processes. Due to the interaction between reaction and separation sections, the behavior of RSR processes becomes highly complex and non-linear, posing different challenges for their design and optimization. The purpose of this study is to design and optimize RSR processes for irreversible liquid phase reaction systems using the pseudo-transient continuation (PTC) approach within an equation-oriented programing environment. This approach was applied to investigate one binary system and four ternary systems. The differential-algebraic models of the proposed process flowsheets were solved until the steady-state conditions were reached. The tray bypass efficiency method was incorporated into the PTC to circumvent the need for discrete optimization. The results demonstrated that in those cases where the product was heavier than the reactants, employing a stripping column was more economical than using a conventional distillation column for both the binary and ternary systems. In the ternary systems with two recycle streams, when the product was the intermediate component in terms of boiling point, the utilization of a divided-wall distillation column (DWC) resulted in a total annual cost saving of 35 % and 41 % compared to direct and indirect separation methods, respectively.
{"title":"Design and optimization of reaction-separation-recycle systems using a pseudo-transient continuation model","authors":"Mohamad Roostaei, Reza Eslamloueyan","doi":"10.1016/j.cherd.2024.10.013","DOIUrl":"10.1016/j.cherd.2024.10.013","url":null,"abstract":"<div><div>The reaction-separation-recycle (RSR) systems are an important part of chemical processes. Due to the interaction between reaction and separation sections, the behavior of RSR processes becomes highly complex and non-linear, posing different challenges for their design and optimization. The purpose of this study is to design and optimize RSR processes for irreversible liquid phase reaction systems using the pseudo-transient continuation (PTC) approach within an equation-oriented programing environment. This approach was applied to investigate one binary system and four ternary systems. The differential-algebraic models of the proposed process flowsheets were solved until the steady-state conditions were reached. The tray bypass efficiency method was incorporated into the PTC to circumvent the need for discrete optimization. The results demonstrated that in those cases where the product was heavier than the reactants, employing a stripping column was more economical than using a conventional distillation column for both the binary and ternary systems. In the ternary systems with two recycle streams, when the product was the intermediate component in terms of boiling point, the utilization of a divided-wall distillation column (DWC) resulted in a total annual cost saving of 35 % and 41 % compared to direct and indirect separation methods, respectively.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"211 ","pages":"Pages 235-252"},"PeriodicalIF":3.7,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142442675","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 : 2024-10-11DOI: 10.1016/j.cherd.2024.10.012
Navid Erfani , Digby Symons , Conan Fee , Matthew James Watson
This study focuses on optimizing heat transfer in packed-bed reactors by simplifying the problem to a two-dimensional steady-state heat conduction scenario. The objective is to efficiently arrange a limited volume of high-conductivity material to transport heat from the source to the low-conductivity heat-absorbing materials, representing the reacting fluid phase. The topology optimization problem is tackled using a density-based method that relies on a gradient-based algorithm. The optimized design is extruded and compared to a honeycomb internal structure using high-fidelity simulations for steam methane reforming. Results show a 6.04 % improvement in CH4 conversion for the optimized structure, highlighting the potential of this method to enhance monolithic catalysts, particularly in cases where heat transfer critically influences the reaction.
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Pub Date : 2024-10-10DOI: 10.1016/j.cherd.2024.10.006
Bilal Ahmed , Zia Ahmad , Summiya Naz , Aaysha Ihsan , Basharat Khan
For environmental safety and sustainability, sulfur concentration in fuel must be minimized. A Commercial desulfurization method, hydrodesulfurization (HDS), offers fine desulfurization of liquid fuels; however, the major challenge of making the process energy efficient remains intact. To address this, various desulfurization approaches are being explored, such as biodesulfurization, adsorption desulfurization, extraction desulfurization, and oxidative desulfurization. Industrial engineers are finding novel reaction routes, while chemical engineers and chemists are working on preparing catalysts and their modifications to optimize process conditions. Research in oxidative desulfurization (ODS) demonstrates that both photocatalytic and thermal-driven ODS processes exhibit significant potential. Thermally driven extraction and catalytic oxidative desulfurization (ECODS) have gained attention using deep eutectic solvents (DESs) and ionic liquids (ILs) as both catalysts and extractants. However, DES overcomes certain limitations of ILs. In the case of DES, the oxidants (H2O2/O2) oxidize the organic acids in DES to peroxy acid, which in turn oxidizes sulfur compounds of fuel into easily removable sulfones, removed by the same DES (acting as extractant as well). DESs are environmentally benign, possess the capability to work synergistically with additional catalysts such as polyoxometalates (POMs) and metal-free catalysts, can be regenerated using only deionized water, and can be reused multiple times with minimal loss of efficiency. This literature review explores the synergistic, catalytic and extractive potential of DES to overcome the major challenge of energy intensive nature of desulfurization process. Furthermore, various methods are critically analyzed, comparative potential of ionic liquids and DESs in ECODS is discussed, and importance of real system (fuel) studies is emphasized.
为了环境安全和可持续发展，必须将燃料中的硫浓度降至最低。加氢脱硫（HDS）是一种商业脱硫方法，可对液体燃料进行精细脱硫。为解决这一问题，人们正在探索各种脱硫方法，如生物脱硫、吸附脱硫、萃取脱硫和氧化脱硫。工业工程师正在寻找新的反应路线，而化学工程师和化学家则致力于制备催化剂及其改性，以优化工艺条件。氧化脱硫（ODS）方面的研究表明，光催化和热驱动 ODS 工艺都具有巨大的潜力。使用深共晶溶剂（DES）和离子液体（IL）作为催化剂和萃取剂的热驱动萃取和催化氧化脱硫（ECODS）已获得广泛关注。然而，DES 克服了离子液体的某些局限性。在 DES 的情况下，氧化剂（H2O2/O2）会将 DES 中的有机酸氧化成过氧酸，过氧酸又会将燃料中的硫化合物氧化成易于去除的砜，并由相同的 DES（同时也是萃取剂）去除。DES 对环境无害，能够与其他催化剂（如聚氧化金属（POM）和无金属催化剂）协同工作，只需使用去离子水即可再生，并且可以多次重复使用，效率损失极小。本文献综述探讨了 DES 的协同、催化和萃取潜力，以克服脱硫过程中能源密集型的主要挑战。此外，还对各种方法进行了批判性分析，讨论了离子液体和 DES 在 ECODS 中的比较潜力，并强调了实际系统（燃料）研究的重要性。
{"title":"Oxidative desulfurization of liquid fuels using deep eutectic solvents as a catalyst and extractant: A review","authors":"Bilal Ahmed , Zia Ahmad , Summiya Naz , Aaysha Ihsan , Basharat Khan","doi":"10.1016/j.cherd.2024.10.006","DOIUrl":"10.1016/j.cherd.2024.10.006","url":null,"abstract":"<div><div>For environmental safety and sustainability, sulfur concentration in fuel must be minimized. A Commercial desulfurization method, hydrodesulfurization (HDS), offers fine desulfurization of liquid fuels; however, the major challenge of making the process energy efficient remains intact. To address this, various desulfurization approaches are being explored, such as biodesulfurization, adsorption desulfurization, extraction desulfurization, and oxidative desulfurization. Industrial engineers are finding novel reaction routes, while chemical engineers and chemists are working on preparing catalysts and their modifications to optimize process conditions. Research in oxidative desulfurization (ODS) demonstrates that both photocatalytic and thermal-driven ODS processes exhibit significant potential. Thermally driven extraction and catalytic oxidative desulfurization (ECODS) have gained attention using deep eutectic solvents (DESs) and ionic liquids (ILs) as both catalysts and extractants. However, DES overcomes certain limitations of ILs. In the case of DES, the oxidants (H<sub>2</sub>O<sub>2</sub>/O<sub>2</sub>) oxidize the organic acids in DES to peroxy acid, which in turn oxidizes sulfur compounds of fuel into easily removable sulfones, removed by the same DES (acting as extractant as well). DESs are environmentally benign, possess the capability to work synergistically with additional catalysts such as polyoxometalates (POMs) and metal-free catalysts, can be regenerated using only deionized water, and can be reused multiple times with minimal loss of efficiency. This literature review explores the synergistic, catalytic and extractive potential of DES to overcome the major challenge of energy intensive nature of desulfurization process. Furthermore, various methods are critically analyzed, comparative potential of ionic liquids and DESs in ECODS is discussed, and importance of real system (fuel) studies is emphasized.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"211 ","pages":"Pages 253-268"},"PeriodicalIF":3.7,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142442679","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}
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