Chemical Engineering Research & Design最新文献

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Physics-based model as a versatile tool towards advanced process control of the naphtha distillation unit

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-21 DOI: 10.1016/j.cherd.2025.04.035

Sergey Stabrov , Svetlana Shevlyagina

Following the recent successes with low input data variability and soft sensor design under feed composition changes, this study proposes, among other things, the use of a physics-based approach to improve multivariable model predictive control (MPC) of naphtha distillation. Unlike the industrial settings, where the influence of other manipulated variables is difficult to exclude due to the actions of the human operator, a physically based modeling provides close to an ideal step-by-step and one-by-one testing of the chemical process, resulting in improved accuracy of the transfer function matrix used for MPC design. The proposed approach has been tested on canonical and alternative control schemes used in stabilized naphtha production. Importantly, the physics-based model resolved all the issues associated with unavailability to reach the set points in controlling the quality of end products when compared with MPC built on the industrial data only irrespective of the control scheme considered. As a result, the steady-state controllability analysis and the closed-loop process behavior highlight that an alternative control structure with transfer function matrix obtained on a physics-based model is a better choice for the industrial case study. Thus, the developed strategy for MPC design was approved as relevant for the cases when a preliminary control scheme requires an update or optimized control scheme without affecting production is of great demand.

{"title":"Physics-based model as a versatile tool towards advanced process control of the naphtha distillation unit","authors":"Sergey Stabrov , Svetlana Shevlyagina","doi":"10.1016/j.cherd.2025.04.035","DOIUrl":"10.1016/j.cherd.2025.04.035","url":null,"abstract":"<div><div>Following the recent successes with low input data variability and soft sensor design under feed composition changes, this study proposes, among other things, the use of a physics-based approach to improve multivariable model predictive control (MPC) of naphtha distillation. Unlike the industrial settings, where the influence of other manipulated variables is difficult to exclude due to the actions of the human operator, a physically based modeling provides close to an ideal step-by-step and one-by-one testing of the chemical process, resulting in improved accuracy of the transfer function matrix used for MPC design. The proposed approach has been tested on canonical and alternative control schemes used in stabilized naphtha production. Importantly, the physics-based model resolved all the issues associated with unavailability to reach the set points in controlling the quality of end products when compared with MPC built on the industrial data only irrespective of the control scheme considered. As a result, the steady-state controllability analysis and the closed-loop process behavior highlight that an alternative control structure with transfer function matrix obtained on a physics-based model is a better choice for the industrial case study. Thus, the developed strategy for MPC design was approved as relevant for the cases when a preliminary control scheme requires an update or optimized control scheme without affecting production is of great demand.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"218 ","pages":"Pages 53-65"},"PeriodicalIF":3.7,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143864453","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}

引用次数: 0

Numerical investigation of non-newtonian fluids in single screw extruders, Part I: Steady-state studies

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-19 DOI: 10.1016/j.cherd.2025.04.010

T.M. Kousemaker , A.I. Vakis , F. Picchioni , P. Druetta

Polymer extrusion is considered one of the key processes in product processing nowadays, and its optimization is considered of the utmost importance in order to deliver proper products minimizing the use of resources. This paper presents the first part of a complete CFD study of a 3D single screw extruder model. In order to do so, mass and heat transfer coupled non-Newtonian fluid models are considered in a novel approach, where a shear-thinning/-thickening temperature-depending rheology correlation is modeled in COMSOL Multiphysics to reproduce the processing of polymer solutions. In this first part, a series of steady-state studies are presented, analyzing the system behavior and sensitivity to the different parameters involved but considering as well its dynamic behavior. Steady-state studies show that using only shear-thinning models underestimates crucial parameters such as pressure, viscosity and thermal profile due to differences in the velocity field and viscous stress tensor. Furthermore, the screw’s influence in the heat transfer process cannot be considered negligible, since a recirculation circuit is created, which helps heating up the polymer entering into the barrel. This work provides important steps in further advances of 3D extrusion modeling processes by considering and evaluating more detailed physics and accurate boundary conditions.

{"title":"Numerical investigation of non-newtonian fluids in single screw extruders, Part I: Steady-state studies","authors":"T.M. Kousemaker , A.I. Vakis , F. Picchioni , P. Druetta","doi":"10.1016/j.cherd.2025.04.010","DOIUrl":"10.1016/j.cherd.2025.04.010","url":null,"abstract":"<div><div>Polymer extrusion is considered one of the key processes in product processing nowadays, and its optimization is considered of the utmost importance in order to deliver proper products minimizing the use of resources. This paper presents the first part of a complete CFD study of a 3D single screw extruder model. In order to do so, mass and heat transfer coupled non-Newtonian fluid models are considered in a novel approach, where a shear-thinning/-thickening temperature-depending rheology correlation is modeled in COMSOL Multiphysics to reproduce the processing of polymer solutions. In this first part, a series of steady-state studies are presented, analyzing the system behavior and sensitivity to the different parameters involved but considering as well its dynamic behavior. Steady-state studies show that using only shear-thinning models underestimates crucial parameters such as pressure, viscosity and thermal profile due to differences in the velocity field and viscous stress tensor. Furthermore, the screw’s influence in the heat transfer process cannot be considered negligible, since a recirculation circuit is created, which helps heating up the polymer entering into the barrel. This work provides important steps in further advances of 3D extrusion modeling processes by considering and evaluating more detailed physics and accurate boundary conditions.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"218 ","pages":"Pages 25-39"},"PeriodicalIF":3.7,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860388","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}

引用次数: 0

Development of an air-flow sorting device for the enrichment of fine particles from fire scene residues

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-18 DOI: 10.1016/j.cherd.2025.04.016

Yu Xia , Qiang Zhao , Yanbai Shen , Zhiqian Xu , Sikai Zhao , Baoyu Cui

Detecting cigarette ash in fire scene residues is crucial for determining the cause of fire disasters. Due to the extremely low concentration of cigarette ash, direct acid leaching and spectroscopic analysis are time-consuming and unreliable. This study developed an air-flow sorting device that combines centrifugal and fluidization technologies to pre-enrich cigarette ash, a significant lightweight material. To enhance the enrichment performance of the air-flow sorting device for cigarette ash, the study systematically investigated the impact of the rotary fluidized chamber's placement angle and cylinder height on the flow field characteristics and separation performance through numerical simulations and physical experiments. The results indicate that these parameters impact separation performance by affecting static pressure distribution, tangential velocity, axial velocity, and turbulence intensity. The optimum performance is attained when the rotary fluidized chamber's placement angle is inverted and the cylinder height measures 300 mm. At a fan frequency of 40 Hz, the pressure drop, yield, d₅₀, enrichment ratio, and recovery are 2460 Pa, 20.45 %, 25.71 μm, 4.2, and 78.71 %, respectively. The findings offer theoretical guidance for the structural design and optimization of practical equipment for cigarette ash enrichment.

{"title":"Development of an air-flow sorting device for the enrichment of fine particles from fire scene residues","authors":"Yu Xia , Qiang Zhao , Yanbai Shen , Zhiqian Xu , Sikai Zhao , Baoyu Cui","doi":"10.1016/j.cherd.2025.04.016","DOIUrl":"10.1016/j.cherd.2025.04.016","url":null,"abstract":"<div><div>Detecting cigarette ash in fire scene residues is crucial for determining the cause of fire disasters. Due to the extremely low concentration of cigarette ash, direct acid leaching and spectroscopic analysis are time-consuming and unreliable. This study developed an air-flow sorting device that combines centrifugal and fluidization technologies to pre-enrich cigarette ash, a significant lightweight material. To enhance the enrichment performance of the air-flow sorting device for cigarette ash, the study systematically investigated the impact of the rotary fluidized chamber's placement angle and cylinder height on the flow field characteristics and separation performance through numerical simulations and physical experiments. The results indicate that these parameters impact separation performance by affecting static pressure distribution, tangential velocity, axial velocity, and turbulence intensity. The optimum performance is attained when the rotary fluidized chamber's placement angle is inverted and the cylinder height measures 300 mm. At a fan frequency of 40 Hz, the pressure drop, yield, <em>d</em><sub>50</sub>, enrichment ratio, and recovery are 2460 Pa, 20.45 %, 25.71 μm, 4.2, and 78.71 %, respectively. The findings offer theoretical guidance for the structural design and optimization of practical equipment for cigarette ash enrichment.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"218 ","pages":"Pages 66-79"},"PeriodicalIF":3.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143870226","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}

引用次数: 0

Mechanistic modelling in pharmaceutical product and process development: A review of distributed and discrete approaches

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-18 DOI: 10.1016/j.cherd.2025.04.005

Kensaku Matsunami , Pedro Martin Salvador , Luz Nadiezda Naranjo Gómez , Gaia Sofia Comoli , Isar Charmchi , Ashish Kumar

Pharmaceutical product and process development is transitioning from traditional heuristics-based approaches to a Quality-by-Design (QbD) methodology, emphasising systematic process design and understanding of critical parameters. While Design of Experiments (DoE) is key for identifying critical process parameters, it has limitations in scalability and potential over-fitting. Detailed mechanistic or first-principles modelling, using distributed or discrete approaches, offers a promising tool for understanding complex, heterogeneous systems. This paper reviews the roles, opportunities, and challenges of detailed mechanistic modelling in pharmaceutical product and process development. The role of mechanistic models is first discussed from strategic, business, and regulatory perspectives. The workflow of mechanistic modelling is then described, consisting of model selection, calibration, validation, and maintenance. Case studies of key unit operation developments, such as wet granulation and fluidised bed system, are reviewed, highlighting process characteristics, model requirements, and application challenges. Proper model development and experimental design are essential to avoid pitfalls, such as limited applicability or excessive data requirements. Despite rising interest in machine-learning approaches, mechanistic modelling aligns well with data-driven methods, offering high-resolution process understanding and enabling optimal development with fewer experiments. This approach surpasses conventional trial-and-error methods, providing deeper insights and innovative solutions for pharmaceutical processes.

{"title":"Mechanistic modelling in pharmaceutical product and process development: A review of distributed and discrete approaches","authors":"Kensaku Matsunami , Pedro Martin Salvador , Luz Nadiezda Naranjo Gómez , Gaia Sofia Comoli , Isar Charmchi , Ashish Kumar","doi":"10.1016/j.cherd.2025.04.005","DOIUrl":"10.1016/j.cherd.2025.04.005","url":null,"abstract":"<div><div>Pharmaceutical product and process development is transitioning from traditional heuristics-based approaches to a Quality-by-Design (QbD) methodology, emphasising systematic process design and understanding of critical parameters. While Design of Experiments (DoE) is key for identifying critical process parameters, it has limitations in scalability and potential over-fitting. Detailed mechanistic or first-principles modelling, using distributed or discrete approaches, offers a promising tool for understanding complex, heterogeneous systems. This paper reviews the roles, opportunities, and challenges of detailed mechanistic modelling in pharmaceutical product and process development. The role of mechanistic models is first discussed from strategic, business, and regulatory perspectives. The workflow of mechanistic modelling is then described, consisting of model selection, calibration, validation, and maintenance. Case studies of key unit operation developments, such as wet granulation and fluidised bed system, are reviewed, highlighting process characteristics, model requirements, and application challenges. Proper model development and experimental design are essential to avoid pitfalls, such as limited applicability or excessive data requirements. Despite rising interest in machine-learning approaches, mechanistic modelling aligns well with data-driven methods, offering high-resolution process understanding and enabling optimal development with fewer experiments. This approach surpasses conventional trial-and-error methods, providing deeper insights and innovative solutions for pharmaceutical processes.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"218 ","pages":"Pages 8-24"},"PeriodicalIF":3.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860387","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}

引用次数: 0

Heptafluorobutyl acetate: Heptafluorobutanol and isopropyl acetate reaction in the presence of an acidic catalyst – chemistry, phase behavior, batch reactive distillation process

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-18 DOI: 10.1016/j.cherd.2025.04.026

Andrei V. Polkovnichenko, Andrey A. Voshkin, Evgenia I. Kovaleva, Nikita A. Selivanov, Sergey Ya. Kvashnin, Egor V. Lupachev

This work studies the reaction between 2,2,3,3,4,4,4-heptafluorobutan-1-ol (HFBol) and isopropyl acetate (IPAc) in the presence of an acidic catalyst in a mixing reactor and during the batch reactive distillation (BRD) process. The reaction products, identified using NMR and gas chromatography–mass spectrometry, include 2,2,3,3,4,4,4-heptafluorobutyl acetate (HFBAc), isopropanol (IPol), acetic acid (AAc), water, diisopropyl ether (IPEth), and heptafluorobutyl isopropyl ether (HFB-IPEth). The system undergoes the following reactions: the transesterification of HFBol and IPAc produces HFBAc and IPol; intermolecular dehydration of IPol and HFBol results in IPEth and HFB-IPEth, while AAc and IPol are formed through the hydration of IPAc. Additionally, the esterification reaction between AAc and HFBol occurs simultaneously, forming HFBAc and water. The study also examines the effects of temperature, pressure, initial reactant ratios, and catalyst concentration on the reaction kinetics, as well as the dynamic aspects of the BRD process. Relationships between conversion and selectivity values and process parameters are established. This article primarily focuses on fluorinated ester technology while also addressing the chemistry of IPol and related processes.

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引用次数: 0

Comparative analysis of water-oil emulsion stabilizers: Biopolymers, surfactants, and nanoparticles

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-17 DOI: 10.1016/j.cherd.2025.04.028

Milad Rafiee , Mohammad-Reza Mohammadi , Abdolhossein Hemmati-Sarapardeh , Mohammad Ranjbar , Mahin Schaffie

Emulsions play a vital role in various petroleum engineering applications, particularly in enhanced oil recovery (EOR). Traditionally, surfactants and polymers have been used to achieve emulsion stability. This study explores the potential of natural, eco-friendly biopolymers as stabilizers and compares their performance with conventional surfactants and nanoparticles. The performances of agar (extracted from red algae) and pectin (derived from citrus peels) biopolymers were evaluated alongside the synthetic polymer FLOPAAM, surfactants Cetyltrimethylammonium bromide (CTAB) and sodium dodecyl sulfate (SDS), and hydrophobic silica nanoparticles. Comprehensive analyses, including interfacial tension (IFT) measurements, wettability assessments, dynamic light scattering (DLS), and microscopic imaging, were conducted on the most stable emulsions. The results demonstrated that agar and pectin significantly enhanced emulsion stability. For example, an agar-stabilized emulsion (0.3 wt%) exhibited only 30 % water separation after one week at 70 °C. However, excessive agar concentrations induced instability. In contrast, pectin required a higher concentration (1 wt%) to produce fully stable emulsions. Emulsions prepared with distilled water exhibited greater stability than those made with seawater, and high-speed mechanical stirring further improved stability. Agar reduced the IFT from 32.96 mN/m to 22.25 mN/m, decreased the contact angle, and promoted a water-wet condition. Moreover, microscopic and DLS analyses revealed that agar significantly decreased the dispersed droplet size, with droplet diameters reducing from 1590 nm to 450 nm. These findings highlight the potential of agar and pectin as sustainable alternatives for enhancing emulsion stability in petroleum applications.

{"title":"Comparative analysis of water-oil emulsion stabilizers: Biopolymers, surfactants, and nanoparticles","authors":"Milad Rafiee , Mohammad-Reza Mohammadi , Abdolhossein Hemmati-Sarapardeh , Mohammad Ranjbar , Mahin Schaffie","doi":"10.1016/j.cherd.2025.04.028","DOIUrl":"10.1016/j.cherd.2025.04.028","url":null,"abstract":"<div><div>Emulsions play a vital role in various petroleum engineering applications, particularly in enhanced oil recovery (EOR). Traditionally, surfactants and polymers have been used to achieve emulsion stability. This study explores the potential of natural, eco-friendly biopolymers as stabilizers and compares their performance with conventional surfactants and nanoparticles. The performances of agar (extracted from red algae) and pectin (derived from citrus peels) biopolymers were evaluated alongside the synthetic polymer FLOPAAM, surfactants Cetyltrimethylammonium bromide (CTAB) and sodium dodecyl sulfate (SDS), and hydrophobic silica nanoparticles. Comprehensive analyses, including interfacial tension (IFT) measurements, wettability assessments, dynamic light scattering (DLS), and microscopic imaging, were conducted on the most stable emulsions. The results demonstrated that agar and pectin significantly enhanced emulsion stability. For example, an agar-stabilized emulsion (0.3 wt%) exhibited only 30 % water separation after one week at 70 °C. However, excessive agar concentrations induced instability. In contrast, pectin required a higher concentration (1 wt%) to produce fully stable emulsions. Emulsions prepared with distilled water exhibited greater stability than those made with seawater, and high-speed mechanical stirring further improved stability. Agar reduced the IFT from 32.96 mN/m to 22.25 mN/m, decreased the contact angle, and promoted a water-wet condition. Moreover, microscopic and DLS analyses revealed that agar significantly decreased the dispersed droplet size, with droplet diameters reducing from 1590 nm to 450 nm. These findings highlight the potential of agar and pectin as sustainable alternatives for enhancing emulsion stability in petroleum applications.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"218 ","pages":"Pages 40-52"},"PeriodicalIF":3.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143864452","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}

引用次数: 0

Effective separation of nicotine from tobacco extract by silica gel 硅胶从烟草提取物中有效分离尼古丁

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-17 DOI: 10.1016/j.cherd.2025.04.030

Pengfei Lu , Rongcheng Wu , Guangwen Xu , Bin Zhang

The high nicotine content in tobacco extract restricts its application in low-nicotine products. This study presents an economical and efficient methodology for the separation of nicotine using silica gel. The performances of static adsorption, dynamic separation, and regeneration were systematically evaluated. The results indicated that silica gel attained a maximum nicotine adsorption capacity of 73.23 mg/g and reached equilibrium within 30 minutes. Thermodynamic analysis indicated that the process was spontaneous and exothermic. When the water content of silica gel was 20.03 %, its adsorption capacity decreased by approximately 50 %. However, solvent elution and regeneration restored the adsorption capacity to over 95.7 % of that in the anhydrous state. EDS, FTIR, and XPS analyses revealed that the adsorption of nicotine by silica gel mainly depends on hydrogen bonding between surface hydroxyl groups and the pyridine nitrogen of nicotine, with a preferential interaction with the pyridine nitrogen, followed by the pyrrole nitrogen. The nicotine content in the eluted product exceeded 97.79 %, and the recovery rate reached 98.95 % when the silica gel column treatment volume was 6 mL/g. After five reuse cycles, the nicotine recovery rate slightly decreased to 92.15 %. This study provides a scalable and low-cost strategy for efficient nicotine separation, which has significant potential for industrial applications.

{"title":"Effective separation of nicotine from tobacco extract by silica gel","authors":"Pengfei Lu , Rongcheng Wu , Guangwen Xu , Bin Zhang","doi":"10.1016/j.cherd.2025.04.030","DOIUrl":"10.1016/j.cherd.2025.04.030","url":null,"abstract":"<div><div>The high nicotine content in tobacco extract restricts its application in low-nicotine products. This study presents an economical and efficient methodology for the separation of nicotine using silica gel. The performances of static adsorption, dynamic separation, and regeneration were systematically evaluated. The results indicated that silica gel attained a maximum nicotine adsorption capacity of 73.23 mg/g and reached equilibrium within 30 minutes. Thermodynamic analysis indicated that the process was spontaneous and exothermic. When the water content of silica gel was 20.03 %, its adsorption capacity decreased by approximately 50 %. However, solvent elution and regeneration restored the adsorption capacity to over 95.7 % of that in the anhydrous state. EDS, FTIR, and XPS analyses revealed that the adsorption of nicotine by silica gel mainly depends on hydrogen bonding between surface hydroxyl groups and the pyridine nitrogen of nicotine, with a preferential interaction with the pyridine nitrogen, followed by the pyrrole nitrogen. The nicotine content in the eluted product exceeded 97.79 %, and the recovery rate reached 98.95 % when the silica gel column treatment volume was 6 mL/g. After five reuse cycles, the nicotine recovery rate slightly decreased to 92.15 %. This study provides a scalable and low-cost strategy for efficient nicotine separation, which has significant potential for industrial applications.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"217 ","pages":"Pages 502-513"},"PeriodicalIF":3.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848422","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}

引用次数: 0

Evaluation of mass transfer characteristics of gas molecules during hydrate formation by using dimensionless numbers

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-17 DOI: 10.1016/j.cherd.2025.04.031

Ryosuke Ezure , Shun Takano , Hideo Tajima

The mass transfer characteristics of gas molecules during hydrate formation by bubbling gas were evaluated using dimensionless numbers. First, the mass-transfer coefficient K_L and the specific surface area a of a gas–liquid were evaluated from hydrate formation with the gas mixture in a rising-bubble-type hydrate-based gas separation system. Based on the results, the mass-transfer characteristics during hydrate formation were expressed by dimensionless numbers. It was clear that the Sherwood number during hydrate formation, Sh_g,hy, could be evaluated by Sh (Sherwood number), Sc (Schmidt number), Ga (Galilei number) and Bo (Bond number), and γ (the inhibition ratio at the gas-liquid interface). During hydrate formation, the value of γ in pure water was 58.9 %. As the sodium dodecyl sulfate was added, the values of Sh_g,hy increased. The values of γ in the SDS aqueous solution systems were calculated to be 41.4 % at 100 ppm SDS and 9.50 % at 300 ppm SDS. This result suggested an increase in the area of the effective gas-liquid interface for mass transfer by adding the surfactant.

{"title":"Evaluation of mass transfer characteristics of gas molecules during hydrate formation by using dimensionless numbers","authors":"Ryosuke Ezure , Shun Takano , Hideo Tajima","doi":"10.1016/j.cherd.2025.04.031","DOIUrl":"10.1016/j.cherd.2025.04.031","url":null,"abstract":"<div><div>The mass transfer characteristics of gas molecules during hydrate formation by bubbling gas were evaluated using dimensionless numbers. First, the mass-transfer coefficient <em>K</em><sub>L</sub> and the specific surface area <em>a</em> of a gas–liquid were evaluated from hydrate formation with the gas mixture in a rising-bubble-type hydrate-based gas separation system. Based on the results, the mass-transfer characteristics during hydrate formation were expressed by dimensionless numbers. It was clear that the Sherwood number during hydrate formation, <em>Sh</em><sub>g,hy</sub>, could be evaluated by <em>Sh</em> (Sherwood number), <em>Sc</em> (Schmidt number), <em>Ga</em> (Galilei number) and <em>Bo</em> (Bond number), and <em>γ</em> (the inhibition ratio at the gas-liquid interface). During hydrate formation, the value of <em>γ</em> in pure water was 58.9 %. As the sodium dodecyl sulfate was added, the values of <em>Sh</em><sub>g,hy</sub> increased. The values of <em>γ</em> in the SDS aqueous solution systems were calculated to be 41.4 % at 100 ppm SDS and 9.50 % at 300 ppm SDS. This result suggested an increase in the area of the effective gas-liquid interface for mass transfer by adding the surfactant.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"218 ","pages":"Pages 1-7"},"PeriodicalIF":3.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860386","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}

引用次数: 0

Numerical investigation of the effect of viscoelasticity on the dynamics of a solid sphere in a shear flow via VOF

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-17 DOI: 10.1016/j.cherd.2025.04.011

Giovanni Meridiano, Panagiota Angeli, Luca Mazzei

We used the volume-of-fluid (VOF) method to predict the effect of viscoelasticity on the rotational speed of a solid sphere immersed in the shear flow between two parallel plates. We modeled the non-Newtonian fluid with the Oldroyd-B constitutive equation, letting the Weissenberg number (

Wi

) vary between 0 and 3. As expected, the sphere rotational period increased with the viscoelasticity of the flow, being strongly influenced by the buildup of normal stresses. Moreover, the analysis of the streamlines around the sphere revealed that, at large

Wi

, the values of the blockage ratio suggested in the literature are insufficient to eliminate the effect of the boundary conditions on the flow field around the sphere. Finally, our values of the sphere rotational velocity agree with the numerical data reported in the literature up to

Wi = 1

. Above this value, our results deviate from those of other works but match well the experimental data.

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引用次数: 0

Storage tank farming planning under equipment and port operational costs through mixed integer quadratically constrained programming

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-04-15 DOI: 10.1016/j.cherd.2025.04.023

Damla Yalcin , Ozgun Deliismail , Basak Tuncer , Hasan Sildir

The study contributes a new method for managing crude oil tank farms, focusing on scheduling and optimizing storage tanks using mathematical modeling. The short-term continuous-time scheduling model reduces tank requirements and performs selection with convenient capacities. The nonconvex mixed-integer quadratically constrained programming (MIQCP) model is used to account for tank farm scheduling dynamics. It focuses on the integration of ships, storage tanks, charging tanks, and crude oil distillation units. The study examines 8 cases focusing on oil supply, arrival times, prices, and maximum flow rate constraints to show the impact of real-world volatility. By incorporating process intensification principles, the mathematical model emphasizes the importance of optimizing storage tank usage to minimize port operational costs of crude oils.

引用次数: 0

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