首页 > 最新文献

Periodica Polytechnica Chemical Engineering最新文献

英文 中文
Formaldehyde Adsorption and Sensing: A Density Functional Theory Study on Pd4 Nanocluster Decorated CNT Structure Pd4纳米簇修饰碳纳米管结构的密度泛函理论研究
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.20522
N. Yuksel, A. Kose, Mehmet Ferdi Fellah
The sensing of formaldehyde, one of the volatile organic compounds used in chemical processes, is very important. In this study, the adsorption and sensing of formaldehyde molecule on Pd4 nanocluster decorated carbon nanotube (Pd4-CNT) was investigated by using DFT method. The WB97XD hybrid method was used in DFT calculations. The adsorption energy value was calculated as −8.1 kJ/mol. This low adsorption energy confirms the very short recovery time and the predominance of weak interactions. There was a decrease of approximately 20% in the HOMO-LUMO gap after the interaction. This result shows that the Pd4-CNT can be used as a sensor at room temperature.
甲醛是化学过程中使用的挥发性有机化合物之一,它的检测是非常重要的。本研究采用DFT方法研究了Pd4纳米簇修饰碳纳米管(Pd4- cnt)对甲醛分子的吸附和传感。DFT计算采用WB97XD混合方法。吸附能为−8.1 kJ/mol。这种低吸附能证实了极短的恢复时间和弱相互作用的优势。相互作用后,HOMO-LUMO间隙减小了约20%。这一结果表明Pd4-CNT可以在室温下用作传感器。
{"title":"Formaldehyde Adsorption and Sensing: A Density Functional Theory Study on Pd4 Nanocluster Decorated CNT Structure","authors":"N. Yuksel, A. Kose, Mehmet Ferdi Fellah","doi":"10.3311/ppch.20522","DOIUrl":"https://doi.org/10.3311/ppch.20522","url":null,"abstract":"The sensing of formaldehyde, one of the volatile organic compounds used in chemical processes, is very important. In this study, the adsorption and sensing of formaldehyde molecule on Pd4 nanocluster decorated carbon nanotube (Pd4-CNT) was investigated by using DFT method. The WB97XD hybrid method was used in DFT calculations. The adsorption energy value was calculated as −8.1 kJ/mol. This low adsorption energy confirms the very short recovery time and the predominance of weak interactions. There was a decrease of approximately 20% in the HOMO-LUMO gap after the interaction. This result shows that the Pd4-CNT can be used as a sensor at room temperature.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73785422","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Processing and Characterization of Polypropylene Nanocomposite Films Reinforced with Hexagonal Boron Nitride Nanosheets 六方氮化硼纳米片增强聚丙烯纳米复合薄膜的制备与表征
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.20589
G. Bayramoglu, Mehmet Mudu
In this study, we synthesized hexagonal boron nitride nanosheets (h-BNN) via the molten hydroxide exfoliation method which results in small flakes and nanoscrolls. The resultant h-BNNs can be dispersed in various solvents such as water, ethanol, and acetone, and form a stable dispersion. The morphological and structural analysis of h-BNNs were performed with Fourier Transform infrared spectroscopy (FTIR), X-ray diffractometry (XRD), and scanning electron microscopy (SEM). The masterbatch (MB) method was used to incorporate the h-BNNs into the polypropylene (PP) matrix via melt mixing. Dilution and film production processes were performed using a twin screw extruder. Nanocomposite films having an h-BNN weight ratio of 1%, 2%, 3%, and 5% were prepared. Thermogravimetric analyzer (TGA) and differential scanning calorimetry (DSC) were used to investigate the thermal stability. Crystallization (Tc) temperatures were increased with the increased amount of h-BNNs and h-BNNs nucleating agent behavior on the PP crystallization was observed. Oxidation induction time (OIT) of the pure PP was increased from 8.84 min to 17.82 min. The results show a considerable effect of the h-BNN content on the thermo-oxidative stability of the nanocomposites studied. The rheological and mechanical properties of the PP-hBNN nanocomposite films were also determined depending on the particle loading ratio. Optimum particle content providing the best thermal, mechanical, and rheological properties were found to be 3% wt.
在本研究中,我们采用熔融氢氧化物剥离法合成了六方氮化硼纳米片(h-BNN),得到了小薄片和纳米卷。得到的h- bnn可以分散在各种溶剂中,如水、乙醇和丙酮,并形成稳定的分散体。利用傅里叶变换红外光谱(FTIR)、x射线衍射(XRD)和扫描电镜(SEM)对h-BNNs进行了形态和结构分析。采用母粒(MB)法将h-BNNs通过熔融混合掺入聚丙烯(PP)基体中。稀释和薄膜生产过程使用双螺杆挤出机进行。制备了h-BNN重量比分别为1%、2%、3%和5%的纳米复合膜。采用热重分析仪(TGA)和差示扫描量热仪(DSC)对其热稳定性进行了研究。结晶温度(Tc)随h-BNNs用量的增加而升高,并观察到h-BNNs成核剂对PP结晶的影响。纯PP的氧化诱导时间(OIT)从8.84 min增加到17.82 min。结果表明,h-BNN含量对所研究的纳米复合材料的热氧化稳定性有相当大的影响。PP-hBNN纳米复合膜的流变学和力学性能也随颗粒负载比的变化而变化。最佳颗粒含量提供最佳的热,机械和流变性能被发现是3%重量。
{"title":"Processing and Characterization of Polypropylene Nanocomposite Films Reinforced with Hexagonal Boron Nitride Nanosheets","authors":"G. Bayramoglu, Mehmet Mudu","doi":"10.3311/ppch.20589","DOIUrl":"https://doi.org/10.3311/ppch.20589","url":null,"abstract":"In this study, we synthesized hexagonal boron nitride nanosheets (h-BNN) via the molten hydroxide exfoliation method which results in small flakes and nanoscrolls. The resultant h-BNNs can be dispersed in various solvents such as water, ethanol, and acetone, and form a stable dispersion. The morphological and structural analysis of h-BNNs were performed with Fourier Transform infrared spectroscopy (FTIR), X-ray diffractometry (XRD), and scanning electron microscopy (SEM). The masterbatch (MB) method was used to incorporate the h-BNNs into the polypropylene (PP) matrix via melt mixing. Dilution and film production processes were performed using a twin screw extruder. Nanocomposite films having an h-BNN weight ratio of 1%, 2%, 3%, and 5% were prepared. Thermogravimetric analyzer (TGA) and differential scanning calorimetry (DSC) were used to investigate the thermal stability. Crystallization (Tc) temperatures were increased with the increased amount of h-BNNs and h-BNNs nucleating agent behavior on the PP crystallization was observed. Oxidation induction time (OIT) of the pure PP was increased from 8.84 min to 17.82 min. The results show a considerable effect of the h-BNN content on the thermo-oxidative stability of the nanocomposites studied. The rheological and mechanical properties of the PP-hBNN nanocomposite films were also determined depending on the particle loading ratio. Optimum particle content providing the best thermal, mechanical, and rheological properties were found to be 3% wt.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85203843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Torrefaction: Process Review 改进:过程评审
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.20636
Milica Preradovic, Saša Papuga, Aleksandra Kolundžija
There is an urgent need for replacement of fossil fuels worldwide. Raw biomass has a low energy density, contains too much moisture, can rot, and it is hygroscopic. This paper presents a very prominent thermal technology that could overcome mentioned deficiencies of raw biomass. This technology is known as torrefaction. Torrefaction is mainly used to convert lignocellulosic materials into 'fuels' that can be used in power plants, combustion units, or gasifiers.
全世界都迫切需要替代化石燃料。生物质原料能量密度低,含有过多的水分,容易腐烂,并且具有吸湿性。本文提出了一种非常突出的热能技术,可以克服原料生物质的上述缺陷。这种技术被称为碳化。烘烤主要用于将木质纤维素材料转化为可用于发电厂、燃烧装置或气化炉的“燃料”。
{"title":"Torrefaction: Process Review","authors":"Milica Preradovic, Saša Papuga, Aleksandra Kolundžija","doi":"10.3311/ppch.20636","DOIUrl":"https://doi.org/10.3311/ppch.20636","url":null,"abstract":"There is an urgent need for replacement of fossil fuels worldwide. Raw biomass has a low energy density, contains too much moisture, can rot, and it is hygroscopic. This paper presents a very prominent thermal technology that could overcome mentioned deficiencies of raw biomass. This technology is known as torrefaction. Torrefaction is mainly used to convert lignocellulosic materials into 'fuels' that can be used in power plants, combustion units, or gasifiers.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73554390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 3
Modeling the Biosurfactant Fermentation by Geobacillus stearothermophilus DSM2313 脂嗜热地杆菌DSM2313发酵生物表面活性剂的模拟
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.20797
Réka Czinkóczky, Á. Németh
Biosurfactants are emerging molecules in the 21st century. However, their production intensification is still required for the development of feasible bioprocesses. Therefore, this paper studies a new biosurfactant-producer, namely Geobacillus stearothermophilus DSM2313 during statistical optimization via response surface methodology. After the statistical analysis the optimal pH = 7, glucose = 50 g/L and NH4NO3 = 2 g/L concentrations were determined. The biosurfactant production of the bacteria was predicted by our developed artificial neural network. The optimal harvesting time of the broth and the emulsification index values can be predicted simultaneously with the constructed artificial neural network. The best experiment was also kinetically described, and kinetic constants observed. Surface tension and emulsification activity were measured to characterize the formed products' efficiency. Based on these results, biosurfactants from Geobacillus stearothermophilus DSM2313 can act as bioemulsifier and can be applied for example in microbial enhanced oil recovery.
生物表面活性剂是21世纪新兴的分子。然而,它们的生产集约化仍然需要开发可行的生物工艺。因此,本文采用响应面法进行统计优化,研究了一种新的生物表面活性剂产生菌——嗜热硬脂地杆菌DSM2313。经统计分析,确定pH = 7、葡萄糖= 50 g/L、NH4NO3 = 2 g/L的最佳浓度。利用人工神经网络对细菌的生物表面活性剂产量进行了预测。利用构建的人工神经网络可以同时预测出肉汤的最佳收获时间和乳化指数值。对最佳实验也进行了动力学描述,并观察了动力学常数。通过测定表面张力和乳化活性来表征产物的乳化效率。基于这些结果,来自嗜热硬脂地杆菌DSM2313的生物表面活性剂可以作为生物乳化剂,应用于微生物提高采收率等领域。
{"title":"Modeling the Biosurfactant Fermentation by Geobacillus stearothermophilus DSM2313","authors":"Réka Czinkóczky, Á. Németh","doi":"10.3311/ppch.20797","DOIUrl":"https://doi.org/10.3311/ppch.20797","url":null,"abstract":"Biosurfactants are emerging molecules in the 21st century. However, their production intensification is still required for the development of feasible bioprocesses. Therefore, this paper studies a new biosurfactant-producer, namely Geobacillus stearothermophilus DSM2313 during statistical optimization via response surface methodology. After the statistical analysis the optimal pH = 7, glucose = 50 g/L and NH4NO3 = 2 g/L concentrations were determined. The biosurfactant production of the bacteria was predicted by our developed artificial neural network. The optimal harvesting time of the broth and the emulsification index values can be predicted simultaneously with the constructed artificial neural network. The best experiment was also kinetically described, and kinetic constants observed. Surface tension and emulsification activity were measured to characterize the formed products' efficiency. Based on these results, biosurfactants from Geobacillus stearothermophilus DSM2313 can act as bioemulsifier and can be applied for example in microbial enhanced oil recovery.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88170318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 3
Investigation of Carbon Footprints of Three Desalination Technologies: Reverse Osmosis (RO), Multi-Stage Flash Distillation (MSF) and Multi-Effect Distillation (MED) 反渗透(RO)、多级闪蒸(MSF)和多效蒸馏(MED)三种海水淡化技术的碳足迹研究
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.20901
Huyen Trang Do Thi, A. Tóth
Nowadays, the drinking water shortage is increasing, mainly due to rapid population growth, climate change, wasteful overuse of water, and pollution. Under the current circumstances, a quarter of the world's population will not have access to good quality drinking water. Thus, another solution must be adopted in areas with insufficient freshwater. One possible line is the desalination of seawater, one of the most practical solutions to solve the problem of drinking water shortage along the oil availability shore and continues to expand globally. Water produced may also be utilized for irrigation, reducing a region's reliance on imports, contributing to the local economy, and improving food supplies. However, this process is not a consequences-free procedure; it may cause several environmental and human health problems.The three most applied desalination technologies are reverse osmosis (RO), multi-stage flash distillation (MSF), and multi-effect distillation (MED). In this study, the emissions of greenhouse gases (GHGs) of drinking water produced from seawater using these three technologies with fossil and renewable energy sources were investigated based on two methods: life cycle assessment (LCA) using SimaPro life cycle analysis software and carbon footprints. As a result, RO technology has significantly lower CO2 emissions than thermal technologies. The RO combined renewable energy is the most environmentally friendly; provides outstanding benefits in terms of human health and ecosystem quality. This technology may still evolve in the future to produce longer-lasting, cheaper membranes, and the energy requirements of this process are lower with applying modern energy recovery systems.
如今,饮用水短缺问题日益严重,主要原因是人口快速增长、气候变化、过度浪费用水和污染。在目前的情况下,世界上四分之一的人口将无法获得优质的饮用水。因此,在淡水不足的地区必须采取另一种解决办法。一条可能的路线是海水淡化,这是解决沿石油供应海岸的饮用水短缺问题的最实用的解决方案之一,并将继续在全球范围内扩展。产生的水也可用于灌溉,减少一个地区对进口的依赖,促进当地经济,并改善粮食供应。然而,这个过程不是一个没有后果的过程;它可能会造成一些环境和人类健康问题。最常用的三种海水淡化技术是反渗透(RO)、多级闪蒸(MSF)和多效蒸馏(MED)。本研究基于SimaPro生命周期分析软件生命周期评估(LCA)和碳足迹两种方法,研究了这三种技术结合化石能源和可再生能源生产的海水饮用水的温室气体(ghg)排放。因此,RO技术的二氧化碳排放量明显低于热技术。RO结合可再生能源是最环保的;在人类健康和生态系统质量方面提供了突出的好处。这项技术在未来可能会不断发展,以生产更持久、更便宜的膜,并且随着现代能量回收系统的应用,该过程的能源需求也会降低。
{"title":"Investigation of Carbon Footprints of Three Desalination Technologies: Reverse Osmosis (RO), Multi-Stage Flash Distillation (MSF) and Multi-Effect Distillation (MED)","authors":"Huyen Trang Do Thi, A. Tóth","doi":"10.3311/ppch.20901","DOIUrl":"https://doi.org/10.3311/ppch.20901","url":null,"abstract":"Nowadays, the drinking water shortage is increasing, mainly due to rapid population growth, climate change, wasteful overuse of water, and pollution. Under the current circumstances, a quarter of the world's population will not have access to good quality drinking water. Thus, another solution must be adopted in areas with insufficient freshwater. One possible line is the desalination of seawater, one of the most practical solutions to solve the problem of drinking water shortage along the oil availability shore and continues to expand globally. Water produced may also be utilized for irrigation, reducing a region's reliance on imports, contributing to the local economy, and improving food supplies. However, this process is not a consequences-free procedure; it may cause several environmental and human health problems.The three most applied desalination technologies are reverse osmosis (RO), multi-stage flash distillation (MSF), and multi-effect distillation (MED). In this study, the emissions of greenhouse gases (GHGs) of drinking water produced from seawater using these three technologies with fossil and renewable energy sources were investigated based on two methods: life cycle assessment (LCA) using SimaPro life cycle analysis software and carbon footprints. As a result, RO technology has significantly lower CO2 emissions than thermal technologies. The RO combined renewable energy is the most environmentally friendly; provides outstanding benefits in terms of human health and ecosystem quality. This technology may still evolve in the future to produce longer-lasting, cheaper membranes, and the energy requirements of this process are lower with applying modern energy recovery systems.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77451087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 3
CFD-based Estimation of Friction Factor in Rough Pipes with Herschel-Bulkley Fluids 基于cfd的Herschel-Bulkley流体粗糙管道摩擦系数估算
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.20857
P. Csizmadia, Gergely Dombóvári, S. Till, Martin Minkó
The appropriate estimation of frictional losses in a pipeline system is essential. So far, little attention has been paid to determining the friction factors with non-Newtonian fluids, especially in rough pipes. This study aims at calculating the friction factor using validated three-dimensional Computational Fluid Dynamics models in Ansys CFX. Steady-state computations are performed with three different incompressible Herschel-Bulkley fluids in rough pipes with relative roughness of the inner pipe surface ε = 0.0005 – 0.01. A power-law type bath gel as a test fluid is used for experiments to validate our numerical model. The numerical results are compared with the measured values and also with numerous existing friction factor estimation models with the help of generalization of the Reynolds number in the relevant engineering range of Regen = 100 – 40,000. This paper shows that the existing approximations can not accurately describe the friction factor with pseudoplastic fluids in rough pipes. On the contrary, in the case of Bingham plastic fluid, a new, explicit calculation relation is found in a unified form accepted by the literature.
对管道系统的摩擦损失进行适当的估计是至关重要的。迄今为止,对非牛顿流体,特别是粗糙管道中摩擦系数的测定还很少关注。本研究旨在利用Ansys CFX中经过验证的三维计算流体动力学模型计算摩擦系数。在管内表面相对粗糙度ε = 0.0005 ~ 0.01的粗糙管道中,用三种不同的不可压缩Herschel-Bulkley流体进行稳态计算。采用幂律型浴液作为试验流体,对数值模型进行了实验验证。将雷诺数推广到Regen = 100 ~ 40000的相关工程范围内,将数值计算结果与实测值进行了比较,并与众多现有的摩擦因数估算模型进行了比较。本文表明,现有的近似方法不能准确地描述粗糙管道中含假塑性流体的摩擦系数。相反,在Bingham塑性流体的情况下,发现了一种新的、显式的计算关系,其形式是文献所接受的统一形式。
{"title":"CFD-based Estimation of Friction Factor in Rough Pipes with Herschel-Bulkley Fluids","authors":"P. Csizmadia, Gergely Dombóvári, S. Till, Martin Minkó","doi":"10.3311/ppch.20857","DOIUrl":"https://doi.org/10.3311/ppch.20857","url":null,"abstract":"The appropriate estimation of frictional losses in a pipeline system is essential. So far, little attention has been paid to determining the friction factors with non-Newtonian fluids, especially in rough pipes. This study aims at calculating the friction factor using validated three-dimensional Computational Fluid Dynamics models in Ansys CFX. Steady-state computations are performed with three different incompressible Herschel-Bulkley fluids in rough pipes with relative roughness of the inner pipe surface ε = 0.0005 – 0.01. A power-law type bath gel as a test fluid is used for experiments to validate our numerical model. The numerical results are compared with the measured values and also with numerous existing friction factor estimation models with the help of generalization of the Reynolds number in the relevant engineering range of Regen = 100 – 40,000. This paper shows that the existing approximations can not accurately describe the friction factor with pseudoplastic fluids in rough pipes. On the contrary, in the case of Bingham plastic fluid, a new, explicit calculation relation is found in a unified form accepted by the literature.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78001602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Effect of Operating Parameters on Agricultural Biomass Mixture Pyrolysis Process in a Batch Reactor 操作参数对间歇式反应器中农业生物质混合热解过程的影响
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.20257
B. Miljković
Many phenomena affect devolatilization of biomass particles, including mass and heat transfer, chemical reactions and physical transformation. Mathematical models that are capable to describe pyrolysis phenomena can greatly assist the large-scale development and optimization of pyrolysis processes, but to be implemented into large-scale simulation the models need to be simplified at a certain degree. In the present study, an existing mathematical model is used to describe the pyrolysis of a single particle of biomass. It couples the heat transfer equations with the chemical kinetics equations. The common Euler explicit method is used for solving the heat transfer equation and the two-step pyrolysis kinetics equations. The model equation is solved for a sphere particle with a radius of 0.001 m and temperature ranging from 300 to 923 K. An original numerical model for the pyrolysis of agricultural biomass mixture is proposed and relevant equations solved using original program realized in MATLAB. Simplified particle model was validated with the experimental data in a non-isothermal pyrolysis reactor. The sample was heated in the temperature range of 300–923 K at average heating rates of 21, 30 and 54 K/min. The model results showed reasonable agreement with experiments. The difference (between the experimental and model results) is slightly more prominent with decreasing heating rate (21 and 30 K/min), but model results are in much better agreement with the experimental date for higher heating rate (54 K/min). It is demonstrated that a constitutive equation can be used to express devolatilization rate for higher heating rates.
影响生物质颗粒脱挥发的现象有很多,包括传质传热、化学反应和物理转化。能够描述热解现象的数学模型对热解过程的大规模开发和优化有很大的帮助,但要实现大规模模拟,模型需要进行一定程度的简化。在本研究中,使用现有的数学模型来描述单个生物质颗粒的热解过程。它将传热方程与化学动力学方程耦合在一起。采用通用的欧拉显式法求解传热方程和两步热解动力学方程。求解了半径为0.001 m、温度为300 ~ 923 K的球形粒子的模型方程。提出了农业生物质混合物热解的原始数值模型,并利用MATLAB实现了原始程序求解相关方程。用非等温热解反应器的实验数据对简化颗粒模型进行了验证。样品在300-923 K的温度范围内加热,平均加热速率为21、30和54 K/min。模型计算结果与实验结果吻合较好。随着升温速率的降低(21 K/min和30 K/min),(实验和模型结果之间的差异)略显突出,但当升温速率较高(54 K/min)时,模型结果与实验数据更加吻合。结果表明,在较高的升温速率下,可以用本构方程来表示脱挥发速率。
{"title":"Effect of Operating Parameters on Agricultural Biomass Mixture Pyrolysis Process in a Batch Reactor","authors":"B. Miljković","doi":"10.3311/ppch.20257","DOIUrl":"https://doi.org/10.3311/ppch.20257","url":null,"abstract":"Many phenomena affect devolatilization of biomass particles, including mass and heat transfer, chemical reactions and physical transformation. Mathematical models that are capable to describe pyrolysis phenomena can greatly assist the large-scale development and optimization of pyrolysis processes, but to be implemented into large-scale simulation the models need to be simplified at a certain degree. In the present study, an existing mathematical model is used to describe the pyrolysis of a single particle of biomass. It couples the heat transfer equations with the chemical kinetics equations. The common Euler explicit method is used for solving the heat transfer equation and the two-step pyrolysis kinetics equations. The model equation is solved for a sphere particle with a radius of 0.001 m and temperature ranging from 300 to 923 K. An original numerical model for the pyrolysis of agricultural biomass mixture is proposed and relevant equations solved using original program realized in MATLAB. Simplified particle model was validated with the experimental data in a non-isothermal pyrolysis reactor. The sample was heated in the temperature range of 300–923 K at average heating rates of 21, 30 and 54 K/min. The model results showed reasonable agreement with experiments. The difference (between the experimental and model results) is slightly more prominent with decreasing heating rate (21 and 30 K/min), but model results are in much better agreement with the experimental date for higher heating rate (54 K/min). It is demonstrated that a constitutive equation can be used to express devolatilization rate for higher heating rates.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78063286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Peculiar Features of Formation of the Phase Composition of Black Clinker Ceramics 黑色熟料陶瓷相组成形成的特殊特征
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.21037
Olena Khomenko, N. Sribniak, V. Ivchenko, Svitlana Hretsai, Ivan Teliushchenko, S. Halushka
This paper examines the peculiarities of the phase composition of black clinker bricks based on the ceramic masses of Kerameya enterprise (Sumy, Ukraine). The principles of charge choice are given considering the ratio of coloring oxides Fe2O3, CoO, MnO2, Mn3O4 and CuO. We found that the phase composition of black clinker bricks after firing at 1100 °С is mainly represented by quartz, microcline, mullite, residues of biotite, as well as hematite and hausmannite as the coloring phases, and also small amounts of cuprite. To produce black ceramic bricks on the basis of clay composition, we need to take 13.5 wt% elements with the ratio of Mn: Fe: Ti: Cu equal to 4.2: 7.7: 0.5: 1.1. Such ceramic mass is already used to produce ceramic clinker bricks with water absorption of 5%, mechanical compressive strength of more than 35 MPa and frost resistance of more than 150 freezing and thawing cycles.
本文以Kerameya企业(Sumy,乌克兰)的陶瓷块为基础,研究了黑色熟料砖相组成的特殊性。考虑了有色氧化物Fe2O3、CoO、MnO2、Mn3O4和CuO的配比,给出了电荷选择的原则。我们发现,1100°С烧制后的黑色熟料砖的物相组成主要以石英、微斜长石、莫来石、残余黑云母以及赤铁矿和豪锰矿为着色相,还有少量的铜矿。以粘土成分为基础生产黑色陶瓷砖,我们需要取13.5 wt%的元素,Mn: Fe: Ti: Cu的比例为4.2:7.7:0.5:1.1。这种陶瓷质量已用于生产吸水率5%、机械抗压强度大于35mpa、抗冻150次以上的陶瓷熟料砖。
{"title":"Peculiar Features of Formation of the Phase Composition of Black Clinker Ceramics","authors":"Olena Khomenko, N. Sribniak, V. Ivchenko, Svitlana Hretsai, Ivan Teliushchenko, S. Halushka","doi":"10.3311/ppch.21037","DOIUrl":"https://doi.org/10.3311/ppch.21037","url":null,"abstract":"This paper examines the peculiarities of the phase composition of black clinker bricks based on the ceramic masses of Kerameya enterprise (Sumy, Ukraine). The principles of charge choice are given considering the ratio of coloring oxides Fe2O3, CoO, MnO2, Mn3O4 and CuO. We found that the phase composition of black clinker bricks after firing at 1100 °С is mainly represented by quartz, microcline, mullite, residues of biotite, as well as hematite and hausmannite as the coloring phases, and also small amounts of cuprite. To produce black ceramic bricks on the basis of clay composition, we need to take 13.5 wt% elements with the ratio of Mn: Fe: Ti: Cu equal to 4.2: 7.7: 0.5: 1.1. Such ceramic mass is already used to produce ceramic clinker bricks with water absorption of 5%, mechanical compressive strength of more than 35 MPa and frost resistance of more than 150 freezing and thawing cycles.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84344450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Optimization of Cobalt Nanoparticles for Biogas Enhancement from Green Algae Using Response Surface Methodology 利用响应面法优化钴纳米颗粒对绿藻沼气的强化作用
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.20375
Asad A. Zaidi, S. Khan, M. Naseer, Hamad Almohammadi, Muhammad Asif, Y. Abdul Wahab, M. A. Islam, M. Johan, Hanim Hussin
Organic matter may be converted to energy through various methods, but the most preferable one is the Anaerobic Digestion (AD), specifically for biogas production. In sustainable bioenergy production, it can undoubtedly be called one of the most widely used methods from the various feedstock. Over the past years, algae waste has become an increasingly acute environmental problem but luckily it can be used as feedstock to produce bioenergy. In order to improve the energy productivity of green algae, this study is focused on the introduction of cobalt (Co) nanoparticles (NPs) in the AD process. The concentration of Co NPs was optimized using response surface methodology (RSM). Mesophilic temperature range (25–45 °C), initial pH (5–9) and Co NPs dosage (0.5–2 mg/L) were selected as the independent variables for RSM. The results indicated that at optimized values (Co NPs concentration = 1 mg/L, initial pH = 7, and digestion temperature = 35 °C) produced the highest biogas yield of 298 ml. An experiment was carried out at optimized conditions to explore the effect on biogas production. The results showed that Co NPs had a positive influence on biogas yield. The low concentrations achieved higher biogas production as compared to higher ones. A maximum biogas yield of 678 mL is achieved by Co NPs (1 mg/L). AD performance was further evaluated by the modified Gompertz model. Different kinetic parameters were calculated. The values of the performance indicators confirmed that the mathematical model fitted well with experimental data.
有机物可以通过各种方法转化为能量,但最可取的是厌氧消化(AD),特别是沼气生产。在可持续生物能源生产中,它无疑是各种原料中使用最广泛的方法之一。在过去的几年里,藻类废物已经成为一个日益严重的环境问题,但幸运的是,它可以用作生产生物能源的原料。为了提高绿藻的能量生产率,本研究重点研究了在AD工艺中引入钴纳米颗粒(NPs)。采用响应面法(RSM)对Co NPs的浓度进行优化。选取中温范围(25 ~ 45℃)、初始pH(5 ~ 9)和Co NPs用量(0.5 ~ 2 mg/L)作为RSM的自变量。结果表明,在Co NPs浓度为1 mg/L、初始pH = 7、消化温度为35℃的优化条件下,产气量最高,为298 ml。结果表明,Co NPs对沼气产量有正向影响。与高浓度相比,低浓度的沼气产量更高。Co NPs (1 mg/L)的最大沼气产量为678 mL。采用改进的Gompertz模型进一步评价AD性能。计算了不同的动力学参数。性能指标的数值验证了数学模型与实验数据的拟合。
{"title":"Optimization of Cobalt Nanoparticles for Biogas Enhancement from Green Algae Using Response Surface Methodology","authors":"Asad A. Zaidi, S. Khan, M. Naseer, Hamad Almohammadi, Muhammad Asif, Y. Abdul Wahab, M. A. Islam, M. Johan, Hanim Hussin","doi":"10.3311/ppch.20375","DOIUrl":"https://doi.org/10.3311/ppch.20375","url":null,"abstract":"Organic matter may be converted to energy through various methods, but the most preferable one is the Anaerobic Digestion (AD), specifically for biogas production. In sustainable bioenergy production, it can undoubtedly be called one of the most widely used methods from the various feedstock. Over the past years, algae waste has become an increasingly acute environmental problem but luckily it can be used as feedstock to produce bioenergy. In order to improve the energy productivity of green algae, this study is focused on the introduction of cobalt (Co) nanoparticles (NPs) in the AD process. The concentration of Co NPs was optimized using response surface methodology (RSM). Mesophilic temperature range (25–45 °C), initial pH (5–9) and Co NPs dosage (0.5–2 mg/L) were selected as the independent variables for RSM. The results indicated that at optimized values (Co NPs concentration = 1 mg/L, initial pH = 7, and digestion temperature = 35 °C) produced the highest biogas yield of 298 ml. An experiment was carried out at optimized conditions to explore the effect on biogas production. The results showed that Co NPs had a positive influence on biogas yield. The low concentrations achieved higher biogas production as compared to higher ones. A maximum biogas yield of 678 mL is achieved by Co NPs (1 mg/L). AD performance was further evaluated by the modified Gompertz model. Different kinetic parameters were calculated. The values of the performance indicators confirmed that the mathematical model fitted well with experimental data.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87190180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 2
Artificial Intelligence-based Prediction of In Vitro Dissolution Profile of Immediate Release Tablets with Near-infrared and Raman Spectroscopy 基于人工智能的近红外和拉曼光谱法预测速释片体外溶出度
IF 1.3 4区 工程技术 Q3 Chemical Engineering Pub Date : 2023-01-09 DOI: 10.3311/ppch.20755
Orsolya Péterfi, Z. Nagy, E. Sipos, D. Galata
The objective of the present work was to develop an artificial neural network (ANN) model to accurately predict the dissolution profile of immediate release tablets based on non-destructive spectral data. Six different tablet formulations with varying API (caffeine) and disintegrant (potato starch) concentrations were prepared. The near-infrared (NIR) and Raman spectra of each tablet were collected in both reflection and transmission modes, then principal component analysis (PCA) was conducted. The training of the ANN was performed at each hidden neuron number from 1 to 10 in order to determine the optimal number of neurons in the hidden layer. The best results were obtained when a small number of neurons (1–3) was used. In the case of all four spectroscopic methods, the average similarity values (f2) of the optimized ANN models were above 59 for the validation tablets, indicating that the predicted dissolution profiles were similar to the measured dissolution curves. The optimized model based on reflection Raman spectra exhibited the best predictive ability. The results demonstrated the potential of ANN models in the implementation of the real-time release testing of tablet dissolution.
本研究的目的是建立基于非破坏性光谱数据的人工神经网络(ANN)模型,以准确预测速释片的溶出度。制备了6种不同原料药(咖啡因)和崩解剂(马铃薯淀粉)浓度的片剂配方。在反射和透射模式下采集各片的近红外(NIR)和拉曼光谱,并进行主成分分析(PCA)。为了确定隐藏层的最优神经元数,对每个隐藏神经元数从1到10进行神经网络的训练。当神经元数量较少(1-3个)时,效果最好。在4种方法中,优化后的ANN模型对验证片的平均相似度(f2)均大于59,表明预测的溶出度曲线与测定的溶出度曲线相似。基于反射拉曼光谱的优化模型预测能力最好。结果表明,人工神经网络模型在片剂溶出度实时释放测试中的应用潜力巨大。
{"title":"Artificial Intelligence-based Prediction of In Vitro Dissolution Profile of Immediate Release Tablets with Near-infrared and Raman Spectroscopy","authors":"Orsolya Péterfi, Z. Nagy, E. Sipos, D. Galata","doi":"10.3311/ppch.20755","DOIUrl":"https://doi.org/10.3311/ppch.20755","url":null,"abstract":"The objective of the present work was to develop an artificial neural network (ANN) model to accurately predict the dissolution profile of immediate release tablets based on non-destructive spectral data. Six different tablet formulations with varying API (caffeine) and disintegrant (potato starch) concentrations were prepared. The near-infrared (NIR) and Raman spectra of each tablet were collected in both reflection and transmission modes, then principal component analysis (PCA) was conducted. The training of the ANN was performed at each hidden neuron number from 1 to 10 in order to determine the optimal number of neurons in the hidden layer. The best results were obtained when a small number of neurons (1–3) was used. In the case of all four spectroscopic methods, the average similarity values (f2) of the optimized ANN models were above 59 for the validation tablets, indicating that the predicted dissolution profiles were similar to the measured dissolution curves. The optimized model based on reflection Raman spectra exhibited the best predictive ability. The results demonstrated the potential of ANN models in the implementation of the real-time release testing of tablet dissolution.","PeriodicalId":19922,"journal":{"name":"Periodica Polytechnica Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88774927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
期刊
Periodica Polytechnica Chemical Engineering
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1