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MgAl2O4 with CaO in supported Ni and Ni–Co catalysts – impact on CO2 reforming of CH4 负载型Ni和Ni–Co催化剂中含有CaO的MgAl2O4–对CH4的CO2重整的影响
IF 1.5 Q4 ENGINEERING, CHEMICAL Pub Date : 2023-08-31 DOI: 10.1080/00194506.2023.2232792
R. Kumari, S. Sengupta
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引用次数: 0
Amoxicillin adsorption from aqueous solution by magnetite iron nanoparticles: molecular modelling and simulation 磁铁矿纳米颗粒吸附水溶液中的阿莫西林:分子模型和模拟
Q4 ENGINEERING, CHEMICAL Pub Date : 2023-08-02 DOI: 10.1080/00194506.2023.2234908
Shabnam Ahmadi, Soumya Ghosh, Alhadji Malloum, Mika Sillanpää, Chinenye Adaobi Igwegbe, Prosper E. Ovuoraye, Joshua O. Ighalo
ABSTRACTMolecular modelling and simulation were used to examine the efficacy of iron nanoparticles (Fe3O4–NPs) in removing amoxicillin (AMX) from aqueous media and determine the optimal conditions. Fe3O4–NPs were initially ascertained using scanning electron microscopy, and Fourier transform infrared spectroscopy. The molecular optimisation modelling via DFT confirmed AMX molecule has chemical potential (–3.59), and electrophilicity index (2.14). The results established that a small chemical hardness = 3.0 eV and molecular energy gap of 6.01 eV, which makes it reactive. The molecule of the antibiotics could interact and be absorbed by the lactase enzyme. The parameters: pH (3–7), time (15–80 min), Fe3O4–NPs dosage (0.1–1.0 g/L), and antibiotic concentration (10–100 mg/L) were studied. The impact of optimum variables pH3, and dosage (0.5 g/L) for adsorption of AMX molecules onto coated Fe3O4–NPs translated to 98% efficiency at 60 mg/l of AMX and 60 min. The adsorption data fitted the Langmuir (R2: 0.9245) with minimal error metrics RMSE ≤ 1.2 when compared to the Freundlich isotherm R2 (0.88) and intraparticle diffusion model R2 (0.58). The maximum adsorption capacity of AMX to Fe3O4–NPs corresponds to 6.47 mg/g with a corresponding adsorption constant of 2.8. Furthermore, AMX adsorption onto Fe3O4–NPs followed pseudo-second-order at R2 (0.9999), with an adsorption constant (k = 3.6 × 10−2g/mg.min).KEYWORDS: Molecular modellingamoxicillinadsorptionnanoparticleskinetics Data availability statementNo data were used to support this study. All data generated or analyzed during this study are included in this article.Disclosure statementNo potential conflict of interest was reported by the author(s).
摘要采用分子模拟方法考察了铁纳米颗粒(Fe3O4-NPs)去除水中阿莫西林(AMX)的效果,并确定了最佳去除条件。利用扫描电镜和傅里叶变换红外光谱初步确定了Fe3O4-NPs。DFT分子优化模型证实AMX分子具有化学势(-3.59)和亲电指数(2.14)。结果表明,该材料具有较小的化学硬度(3.0 eV)和分子能隙(6.01 eV),具有良好的反应性。抗生素分子可以相互作用并被乳糖酶吸收。研究了pH(3 ~ 7)、时间(15 ~ 80 min)、Fe3O4-NPs用量(0.1 ~ 1.0 g/L)、抗生素浓度(10 ~ 100 mg/L)。当AMX浓度为60 mg/ L,时间为60 min时,最佳变量pH3和用量(0.5 g/L)对AMX分子在Fe3O4-NPs表面的吸附效率为98%。与Freundlich等温线R2(0.88)和颗粒内扩散模型R2(0.58)相比,Langmuir (R2: 0.9245)的最小误差指标RMSE≤1.2。AMX对Fe3O4-NPs的最大吸附量为6.47 mg/g,对应的吸附常数为2.8。此外,AMX在Fe3O4-NPs上的吸附在R2(0.9999)处为准二阶,吸附常数k = 3.6 × 10−2g/mg.min。关键词:分子模拟;阿莫西林;吸附;纳米颗粒;本研究过程中产生或分析的所有数据均包含在本文中。披露声明作者未报告潜在的利益冲突。
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引用次数: 2
Palladium-based membranes for potential application in bio-jet fuel production unit 钯基膜在生物喷气燃料生产装置中的潜在应用
IF 1.5 Q4 ENGINEERING, CHEMICAL Pub Date : 2023-07-19 DOI: 10.1080/00194506.2023.2232386
Ritu Parashar, B. C. Nailwal, N. Goswami, R. K. Lenka, A. Singha, S. Kar, A. K. Adak, S. C. Parida, S. Mukhopadhyay
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引用次数: 0
Nucleation kinetics of reactive crystallization of ammonium di-uranate 二铀酸铵反应结晶的成核动力学
IF 1.5 Q4 ENGINEERING, CHEMICAL Pub Date : 2023-07-13 DOI: 10.1080/00194506.2023.2223605
Shrishma Paik, S. Satpati, D. Singh
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引用次数: 0
Enzymatic synthesis of Isopropyl stearate, a cosmetic emollient: optimisation and kinetic approach 酶合成硬脂酸异丙酯,一种化妆品润肤剂:优化和动力学方法
IF 1.5 Q4 ENGINEERING, CHEMICAL Pub Date : 2023-06-28 DOI: 10.1080/00194506.2023.2214153
Sarita D. Gawas, Prasanna V. Joshi, V. Rathod
{"title":"Enzymatic synthesis of Isopropyl stearate, a cosmetic emollient: optimisation and kinetic approach","authors":"Sarita D. Gawas, Prasanna V. Joshi, V. Rathod","doi":"10.1080/00194506.2023.2214153","DOIUrl":"https://doi.org/10.1080/00194506.2023.2214153","url":null,"abstract":"","PeriodicalId":13430,"journal":{"name":"Indian Chemical Engineer","volume":" ","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47074976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Reactive extraction of protocatechuic acid by di-n-octylamine and optimisation with Box–Behnken design 二正辛胺法提取原儿茶酸及其Box-Behnken优化设计
IF 1.5 Q4 ENGINEERING, CHEMICAL Pub Date : 2023-05-24 DOI: 10.1080/00194506.2023.2214150
I. Isayev, Özge Demir, Aslı Gök, Ş. Kırbaslar
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引用次数: 0
Hydrodynamic study of pressure swing rotating bubble cap column with gas-liquid systems 气液系统变压旋转泡帽柱的流体动力学研究
IF 1.5 Q4 ENGINEERING, CHEMICAL Pub Date : 2023-05-24 DOI: 10.1080/00194506.2023.2205860
S. P. Khadanga, D. K. Samal, P. K. Patnaik, G. Roy
ABSTRACT The present investigation on a hydrodynamic study focused on the RPM and pressure drop in a pressure swing rotating bubble cap (PSRBC) sparger column. PSRBC is one of its kind, which has the capability of producing bubbles and effective mixing in the sparged column. In this experimental work, a plastic PSRBC sparger of cylindrical shape has been designed and used for the supply of compressed gas (air) through the stationary liquid (water-glycerine solution) pool. The system variables viz. superficial air velocity, stationary liquid height, column diameter, the viscosity of liquid and sparger outlet opening area are considered for this study. Model equations have been developed for predicting RPM for the PSRBC sparger and pressure drop of the column in dimensionless form. The calculated values from predicted models have been compared with the experimental values and the coefficients of correlations are found to be more than 0.97. The present hydrodynamic study relates to RPM and pressure drop and may be useful for the design of gas–liquid systems viz. bubble columns, deaerators, bio-reactors (without stirrer) etc. where the interfacial area of gas–liquid has a distinct role in the performance. GRAPHICAL ABSTRACT
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引用次数: 0
Influence of the nutrition substrate concentration on sulfate reduction in denitrifying biofilter point of use 反硝化生物滤池使用点营养基质浓度对硫酸盐还原的影响
IF 1.5 Q4 ENGINEERING, CHEMICAL Pub Date : 2023-05-10 DOI: 10.1080/00194506.2023.2205851
Viktor Gevod, Ivan Borysov, L. Frolova, A. Issayeva
ABSTRACT The influence of bacterial nutrition (by ethanol) on the appearance of hydrogen sulfide and colloidal sulfur in the filtrate of innovative U-shaped small-sized (point-of-use) submersible denitrifying biofilter describes in the course of its regular operation. The device intends to get drinking water from groundwater sources contaminated with nitrates, sulfates, and heavy metal ions. Colonies of denitrifying bacteria occupy an ecological niche inside the filter bed in an anoxic medium in the inlet elbow of the biofilter and reduce the concentration of nitrates below of hygienic limit at the optimal feed by ethanol. Hydrogen sulfide and colloidal sulfur produce the sulfate-reducing and sulfur bacteria. Sulfate-reducing bacteria act in an anaerobic environment in the bottom conjunction zone of the inlet and outlet elbows of the biofilter. These bacteria release hydrogen sulfide when ethanol adds to filtering water in excess compared to the dosage required for denitrification. Colonies of sulfur bacteria occupy an ecological niche in the output zone of the biofilter exit elbow and oxidise hydrogen sulfide to elemental sulfur. Sulfate reduction associated with nitrates removal can be helpful for additional water purification from admixtures of heavy and polyvalent metal ions. GRAPHICAL ABSTRACT
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引用次数: 0
Bioleaching of zinc from e-waste by A. aquatilis in fluidised bed bioreactor 流化床生物反应器中A.aquatilis从电子垃圾中生物浸出锌
IF 1.5 Q4 ENGINEERING, CHEMICAL Pub Date : 2023-04-06 DOI: 10.1080/00194506.2023.2196558
M. Minimol, K. Vidya Shetty, M. B. Saidutta
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引用次数: 1
Modelling, extraction optimisation and phytochemical profile of essential oil from Moroccan endemic medicinal plant Ballota hirsuta 摩洛哥特有药用植物硬毛巴洛塔精油的建模、提取优化和植物化学特征
IF 1.5 Q4 ENGINEERING, CHEMICAL Pub Date : 2023-03-23 DOI: 10.1080/00194506.2023.2190753
Omar Ou-ani, L. Oucheikh, Axel Dabbous, M. Znini, J. Costa, L. Majidi
ABSTRACT The present study describes for the first time the optimisation of the extraction by hydrodistillation and chemical composition of the essential oil (EO) of Ballota hirsuta aerial parts using Gas chromatography (GC/FID) and GC-mass spectrometry (GC/MS) analysis. Single-factor experiments and response surface methodology (RSM) based on a central composite design (CCD) were used to optimise the EO extraction parameters including drying period (0–21 days), extraction time (60–240 min) and water/plant ratio (5–20 ml/g). The optimum conditions for obtaining the best yield (0.91%) are a drying period of 7 days, an extraction time of 120 min and a water/plant ratio of 10 ml/g. The findings suggest that the experimental and the predicted data are in reasonable agreement, showing that the quadratic model was the fittest for the optimisation of the extraction process Under these optimum condition, GC/FID and GC/MS enabled the identification of forty-three volatile components representing 82.3% of the total of EO. Germacrene-D (16%), Z-Phytol (7.7%), α – Cadinol (7.3%) and Carvacrol (6.7%) were the main constituents of this EO. GRAPHICAL ABSTRACT
{"title":"Modelling, extraction optimisation and phytochemical profile of essential oil from Moroccan endemic medicinal plant Ballota hirsuta","authors":"Omar Ou-ani, L. Oucheikh, Axel Dabbous, M. Znini, J. Costa, L. Majidi","doi":"10.1080/00194506.2023.2190753","DOIUrl":"https://doi.org/10.1080/00194506.2023.2190753","url":null,"abstract":"ABSTRACT The present study describes for the first time the optimisation of the extraction by hydrodistillation and chemical composition of the essential oil (EO) of Ballota hirsuta aerial parts using Gas chromatography (GC/FID) and GC-mass spectrometry (GC/MS) analysis. Single-factor experiments and response surface methodology (RSM) based on a central composite design (CCD) were used to optimise the EO extraction parameters including drying period (0–21 days), extraction time (60–240 min) and water/plant ratio (5–20 ml/g). The optimum conditions for obtaining the best yield (0.91%) are a drying period of 7 days, an extraction time of 120 min and a water/plant ratio of 10 ml/g. The findings suggest that the experimental and the predicted data are in reasonable agreement, showing that the quadratic model was the fittest for the optimisation of the extraction process Under these optimum condition, GC/FID and GC/MS enabled the identification of forty-three volatile components representing 82.3% of the total of EO. Germacrene-D (16%), Z-Phytol (7.7%), α – Cadinol (7.3%) and Carvacrol (6.7%) were the main constituents of this EO. GRAPHICAL ABSTRACT","PeriodicalId":13430,"journal":{"name":"Indian Chemical Engineer","volume":" ","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42783289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Indian Chemical Engineer
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