FIMOR: An efficient simulation for ZnO quantum dot ripening applied to the optimization of nanoparticle synthesis

Haderlein, Michael; Segets, Doris; Gröschel, Michael; Pflug, Lukas; Leugering, Günter

doi:10.1016/j.cej.2014.09.040

Cited by 26 publications

(13 citation statements)

References 43 publications

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“…The latter may be controlled by surface functionalization of the formed particles or by process parameters such as concentration or shear rates. 19,20 Depending on their relative kinetics particle formation may be considered as either mixing or reaction controlled. Particle formation of "simple" systems 21 can be modelled from a molecular perspective; modelling approaches of increasing complexity may even predict the dynamic evolution of particle size distributions and are the basis of any rigorous scale-up and process design.…”

Section: Introductionmentioning

confidence: 99%

A comprehensive study on the mechanism behind formation and depletion of Cu₂ZnSnS₄ (CZTS) phases

et al. 2015

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aHigh efficiency kesterite based solar cells have vigorously raised the research interests in this material. The challenge lies in understanding the formation and co-existence of more than 10 possible by-products during and after the synthesis of Cu 2 ZnSnS 4 (CZTS) and their various different structural and electronic defects.The present contribution shows an in-depth study on the stages of formation and depletion of nanoparticulate CZTS. Employing a hot injection synthesis method, we give direct experimental evidence of the co-existence of cubic, tetragonal and defected CZTS structures and different by-products as a function of time and temperature. SEM, (HR)TEM, XRD, EDX, ICP-OES, Raman spectroscopy and UV-Vis-NIR spectroscopy have been used in order to better evaluate and interpret data for crystal structures and compositions.The obtained understanding on the formation of different phases suggests 250°C as the most favourable synthesis temperature. Based on our study, general strategies can be developed for controlling the amount of formed phases, the by-products and the defects in kesterite and other similar multicomponent nanoparticles as well as in bulk systems.

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Section: Introductionmentioning

confidence: 99%

A comprehensive study on the mechanism behind formation and depletion of Cu₂ZnSnS₄ (CZTS) phases

et al. 2015

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“…Here, the literature lists numerous evidence that UV/vis multi-wavelength spectroscopy is suitable for offline [29][30][31] and in situ [32,33] monitoring of multiple physical properties in finely dispersed suspensions. Furthermore, in [34] UV/vis spectroscopy is applied for in situ monitoring of zinc oxide (ZnO) quantum dots processed continuously. speed.…”

Section: Particle Characterizationmentioning

confidence: 99%

Autonomous Processes in Particle Technology

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Winkler

Sinn

et al. 2021

Chemie Ingenieur Technik

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Battery materials, pharmaceuticals, solar cells, coffee powder, 3D printed components, etc., all these products have in common that they are predominantly made of particles. Ensuring high product quality with optimal raw material and energy utilization is only possible with extensive and many years of experience in the operation of such processes. This unsatisfactory situation is due to the complexity of particulate products, which still hinders extensive automation and autonomous process control. The challenge is to couple the respective basic operations with characterization devices, process dynamics and modern control algorithms to form a closed loop for process control. As a result, some day it should be possible to set the desired property profiles of particulate products with the most energy-and raw material-efficient operation possible with a ''push of a button''.

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“…The nonlocal term W q incorporates, e.g., the explicit dependency of G on the solution PSD. This may be, e.g., in terms of the total surface (

γ (x) = 4 π x^{2}

), or mass (

γ (x) = \frac{4}{3} π x^{3}

) of the particles, yielding a crucial contribution to the growth and ripening dynamics. The upper and lower bounds on the PCs in U ad must be defined according to the application considered.…”

Section: Gradient‐based Optimization Of Particulate Ripening Processesmentioning

confidence: 99%

“…As a consequence of these many degrees of freedom, optimal selection of PCs to ensure the desired disperse properties of the final product becomes crucial. Since complex process chains yield systems of equations which are analytically difficult or even impossible to solve, there is currently high demand for an efficient numerical implementation to enable the application of model‐based optimization schemes .…”

Section: Introductionmentioning

confidence: 99%

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Model‐Based Optimization of Ripening Processes with Feedback Modules

et al. 2020

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In order to obtain high-quality particulate products with tailored properties, process conditions and their evolution in time must be chosen appropriately. Although the efficiency of these products depends on their dispersity in several dimensions, in established processes the particle size is usually the decisive variable to adjust. As part of the synthesis of these products, feedback modules are often incorporated so that a time-dependent ratio of the obtained product can flow back into the system. Moreover, the synthesis should be an energy-and resource-efficient process. To provide a means of ensuring this requirement, a model-and gradient-based, numerically efficient optimization tool for particle synthesis is presented which was developed to describe population balance equations incorporating feedback terms.

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FIMOR: An efficient simulation for ZnO quantum dot ripening applied to the optimization of nanoparticle synthesis

Cited by 26 publications

References 43 publications

A comprehensive study on the mechanism behind formation and depletion of Cu₂ZnSnS₄ (CZTS) phases

A comprehensive study on the mechanism behind formation and depletion of Cu₂ZnSnS₄ (CZTS) phases

Autonomous Processes in Particle Technology

Model‐Based Optimization of Ripening Processes with Feedback Modules

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FIMOR: An efficient simulation for ZnO quantum dot ripening applied to the optimization of nanoparticle synthesis

Cited by 26 publications

References 43 publications

A comprehensive study on the mechanism behind formation and depletion of Cu2ZnSnS4 (CZTS) phases

A comprehensive study on the mechanism behind formation and depletion of Cu2ZnSnS4 (CZTS) phases

Autonomous Processes in Particle Technology

Model‐Based Optimization of Ripening Processes with Feedback Modules

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Product

Resources

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A comprehensive study on the mechanism behind formation and depletion of Cu₂ZnSnS₄ (CZTS) phases

A comprehensive study on the mechanism behind formation and depletion of Cu₂ZnSnS₄ (CZTS) phases