Application of Evolutionary Rietveld Method Based XRD Phase Analysis and a Self-Configuring Genetic Algorithm to the Inspection of Electrolyte Composition in Aluminum Electrolysis Baths

Yakimov, Igor S.; Zaloga, A. N.; Dubinin, P. S.; Bezrukova, Oksana E.; Samoilo, Alexander S.; Burakov, Sergey; Semenkin, ‪Eugene; Semenkina, Maria; Andruschenko, Eugene

doi:10.3390/cryst8110402

Cited by 9 publications

(6 citation statements)

References 5 publications

(6 reference statements)

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…The mean size of crystallites was determined via the broadening of X-ray diffraction reflections using the Scherer formula [ 45 ]. The phase composition was determined using the Rietveld method, which is based on approximating the areas of the diffraction peaks and determining the convergence with reference values for each phase [ 46 , 47 ]. The volume fraction of the composite phase was determined using Equation (2) [ 48 ]:

where I phase is the average integral intensity of the main phase of the diffraction line, I admixture is the average integral intensity of the additional phase, and R is the structural coefficient equal to 1.…”

Section: Methodsmentioning

confidence: 99%

A Novel Cu2O/ZnO@PET Composite Membrane for the Photocatalytic Degradation of Carbendazim

et al. 2022

View full text Add to dashboard Cite

The extremely high levels of water pollution caused by various industrial activities represent one of the most important environmental problems. Efficient techniques and advanced materials have been extensively developed for the removal of highly toxic organic pollutants, including pesticides. This study investigated the photocatalytic degradation of the fungicide carbendazim (Czm) using composite track-etched membranes (TeMs) in an aqueous solution. Copper(I) oxide (Cu2O) and zinc oxide (ZnO) microtubes (MTs) were prepared using an electroless template deposition technique in porous poly(ethylene terephthalate) (PET) TeMs with nanochannels with a density of 4 × 107 pores/cm−2 and diameter of 385 ± 9 nm to yield Cu2O@PET and ZnO@PET composite membranes, respectively. A mixed Cu2O/ZnO@PET composite was prepared via a two-step deposition process, containing ZnO (87%) and CuZ (13%) as crystalline phases. The structure and composition of all composite membranes were elucidated using scanning electron microscopy (SEM), atomic force microscopy (AFM), energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) techniques. Under UV–visible light irradiation, the Cu2O/ZnO@PET composite displayed enhanced photocatalytic activity, reaching 98% Czm degradation, higher than Cu2O@PET and ZnO@PET composites. The maximum Czm degradation efficiency from aqueous solution was obtained at an optimal pH of 6 and contact time of 140 min. The effects of various parameters such as temperature, catalyst dosage and sample exposure time on the photocatalytic degradation process were studied. The degradation reaction of Czm was found to follow the Langmuir–Hinshelwood mechanism and a pseudo-first order kinetic model. The degradation kinetics of Czm accelerated with increasing temperature, and the activation energy (Ea) levels were calculated as 11.9 kJ/mol, 14.22 kJ/mol and 15.82 kJ/mol for Cu2O/ZnO@PET, ZnO@PET and Cu2O@PET composite membranes, respectively. The reusability of the Cu2O/ZnO@PET catalyst was also investigated at different temperatures for 10 consecutive runs, without any activation or regeneration processes. The Cu2O/ZnO@PET composite exhibited degradation efficiency levels of over 50% at 14 °C and over 30% at 52 °C after 5 consecutive uses.

show abstract

Section: Methodsmentioning

confidence: 99%

A Novel Cu2O/ZnO@PET Composite Membrane for the Photocatalytic Degradation of Carbendazim

et al. 2022

View full text Add to dashboard Cite

show abstract

“…It should be noted that no Cu 2 O phase formation was recorded during the annealing of samples in the specified temperature range. The phase composition was determined using the Rietveld method, which is based on estimating the areas of diffraction peaks by approximating them and determining convergence with reference values for each phase [47,48]. In case of the predominance of amorphous structures such as the PET template, the phase composition is determined based on the most intense peak, which in our case is CuO (111) [49].…”

Section: Synthesis and Thermal Annealing Of Cu/pet Compositesmentioning

confidence: 99%

Cu/CuO Composite Track-Etched Membranes for Catalytic Decomposition of Nitrophenols and Removal of As(III)

et al. 2020

View full text Add to dashboard Cite

One of the promising applications of nanomaterials is to use them as catalysts and sorbents to remove toxic pollutants such as nitroaromatic compounds and heavy metal ions for environmental protection. This work reports the synthesis of Cu/CuO-deposited composite track-etched membranes through low-temperature annealing and their application in catalysis and sorption. The synthesized Cu/CuO/poly(ethylene terephthalate) (PET) composites presented efficient catalytic activity with high conversion yield in the reduction of nitro aryl compounds to their corresponding amino derivatives. It has been found that increasing the time of annealing raises the ratio of the copper(II) oxide (CuO) tenorite phase in the structure, which leads to a significant increase in the catalytic activity of the composites. The samples presented maximum catalytic activity after 5 h of annealing, where the ratio of CuO phase and the degree of crystallinity were 64.3% and 62.7%, respectively. The catalytic activity of pristine and annealed composites was tested in the reduction of 4-nitroaniline and was shown to remain practically unchanged for five consecutive test cycles. Composites annealed at 140 °C were also tested for their capacity to absorb arsenic(III) ions in cross-flow mode. It was observed that the sorption capacity of composite membranes increased by 48.7% compared to the pristine sample and reached its maximum after 10 h of annealing, then gradually decreased by 24% with further annealing.

show abstract

“…The addition of calcium fluoride and magnesium leads to a decrease in the electrolyte melting temperature that, in turn, reduces the voltage; therefore, their content in the electrolyte can be as low as 10%. The content of fluoride salts in the molten electrolyte must not exceed the permissible values as this can lead to insolubility of the alumina [31].…”

Section: Structural Identification Of the Aluminium Production Processmentioning

confidence: 99%

Developing a Comprehensive Mathematical Model for Aluminium Production in a Soderberg Electrolyser

Ilyushin,

Kapostey

2023

Energies

View full text Add to dashboard Cite

The technological process of aluminium electrolysis is a complex scientific and technical task. This is due to a large number of internal, external and resultant factors. The aim of this work is to analyse these factors, assess them and their influence on the technological process of electrolysis and develop a comprehensive and mathematical model of aluminium production in the Soderberg electrolyser. The work analyses the technological process of primary aluminium production on the basis of the Bayer method and then on the basis of the Hall–Eru method. The existing methods and technologies for computer modelling of the technological process are analysed. The modern methods of analysis for thermal and electromagnetic fields in electrolysers are considered. On the basis of an in-depth analysis, a number of factors influencing the process of primary aluminium production are identified. Using the methods of system analysis to analyse the identified factors, a ranked list of factors according to the degree of influence is obtained. Using the Pareto diagram, we obtain a list of factors with maximum impact. A conceptual model of the technological process is derived. Based on the obtained conceptual model, the mathematical model of the technological process is derived. The conducted research may be useful to specialists in the field of metallurgy for the analysis of the technological processes of primary aluminium production.

show abstract

Application of Evolutionary Rietveld Method Based XRD Phase Analysis and a Self-Configuring Genetic Algorithm to the Inspection of Electrolyte Composition in Aluminum Electrolysis Baths

Cited by 9 publications

References 5 publications

A Novel Cu2O/ZnO@PET Composite Membrane for the Photocatalytic Degradation of Carbendazim

A Novel Cu2O/ZnO@PET Composite Membrane for the Photocatalytic Degradation of Carbendazim

Cu/CuO Composite Track-Etched Membranes for Catalytic Decomposition of Nitrophenols and Removal of As(III)

Developing a Comprehensive Mathematical Model for Aluminium Production in a Soderberg Electrolyser

Contact Info

Product

Resources

About