News Picture Generic

Population balance modeling of InP formation in an automated synthesis platform

June 6, 2023

Despite great progress in the synthetic chemistry of InP QDs, a predictive model to describe their temporal formation is still missing. In this work, we introduce a population balance model incorporating liquid phase reactions, homogeneous nucleation and reaction-limited growth of InP supported with the highly reproducible and reliable experimental data acquired from an automated robotic synthesis platform. A comparison between experimental kinetic data (different initial concentrations and temperatures) and simulations was made. The proposed model describes the temporal evolution of solid concentration, particle diameter and particle size distribution very well. The quantitative agreement between experiments and simulations was only achieved by global optimization to identify unknown and hardly measurable material parameters and kinetic constants such as surface energy, growth rate constants or activation energies. We see this model rendering the first step towards the development of more refined models that enable rigorous optimization and control of the production process for III-V semiconductors.

For details:

Population balance modeling of InP formation in an automated synthesis platform

Zhuang Wang a, Nabi E. Traoré b, c, Tobias Schikarski b, c, Lisa Stiegler b, c, Dominik Drobek d, Benjamin Apeleo Zubiri d, Erdmann Spiecker d, Johannes Walter b, c, Wolfgang Peukert b, c, Lukas Pflug e, *, Doris Segets a, f, *

a. Institute for Energy and Materials Processes (EMPI), University of Duisburg-Essen, Duisburg, Germany 
b. Institute of Particle Technology, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Erlangen, Germany 
c. Interdisciplinary Center for Functional Particle Systems (FPS), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Erlangen, Germany 
d. Institute of Micro- and Nanostructure Research (IMN) & Center for Nanoanalysis and Electron Microscopy (CENEM), Interdisciplinary Center for Nanostructured Films (IZNF), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Erlangen, Germany 
e. Competence Unit for Scientific Computing (CSC), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Erlangen, Germany 
f. Center for Nanointegration Duisburg-Essen (CENIDE), Duisburg, Germany 

DOI: https://doi.org/10.31224/2902

For more information about the used Chemspeed solutions:

MULTIPLANT / AUTOPLANT PRORES

Contact us to learn more about this exciting article:

https://www.chemspeed.com/contact-us/

 

Other Recent News

Discover more news articles you might be interested in

Read more about Complementary and Spatially Resolved Operando Spectroscopic Investigation of Pt/Al₂O₃ and Pt/CeO₂ Catalysts during CO/NO Conversion
News Picture 1 1 V2
Oct
14

Complementary and Spatially Resolved Operando Spectroscopic Investigation of Pt/Al₂O₃ and Pt/CeO₂ Catalysts during CO/NO Conversion

The composition of reaction mixtures strongly influences the structural evolution and performance of noble metal-based catalysts. In this work, we compared the effect of the simultaneous presence of CO and NO on the noble metal state and CO oxidation activity of Pt/Al2O3 and Pt/CeO2 catalysts under close-to-stoichiometric conditions using complementary in situ/operando X-ray and infrared spectroscopic techniques.

Read more about Influence of the CeO₂ Morphology and Initial Pd–Pt Interaction Degree on Catalyst Activity and Stability
News Picture 1 1 V2
Oct
7

Influence of the CeO₂ Morphology and Initial Pd–Pt Interaction Degree on Catalyst Activity and Stability

Due to its peculiar properties and strong interaction with noble metals, ceria is widely used as a catalyst support for numerous applications. In this work, morphologically pure and highly crystalline ceria nanocubes and nanorods were prepared to systematically investigate both the impact of the support morphology and Pd–Pt interaction degree on the noble metal-support interplay during CO oxidation.

Read more about High-throughput RAFT Polymerization via Automated Batch, Increment, and Continuous Flow Platforms
News Picture 1 1 V2
Featured
Sep
23

High-throughput RAFT Polymerization via Automated Batch, Increment, and Continuous Flow Platforms

We report an automated strategy to conduct RAFT copolymerizations using a Chemspeed robotic platform capable of executing batch, incremental, and continuous monomer addition workflows under inert conditions. Copolymerizations of oligo(ethylene glycol) acrylate with benzyl acrylate (as a control) and fluorescein o-acrylate were conducted in toluene, THF, and DMF, with reaction progress monitored via ¹H NMR spectroscopy at defined intervals.

© Chemspeed Technologies 2025