Rizzi, LG, Viegas, G and Auer, S orcid.org/0000-0003-0418-1745 (2022) Ligancy effects on nucleation kinetics. Journal of Chemical Physics, 157 (17). ARTN 174111. ISSN 0021-9606
Abstract
Nucleation of particles into crystalline structures can be observed in a wide range of systems from metallic and metal–organic compounds to colloidal and polymeric patch particles. Here, we perform kinetic Monte Carlo simulations to study the nucleation kinetics of particles with different ligancies z at constant supersaturation s. This approach allows one to determine several physico-chemical quantities as a function of s, including the growth probability P(n), the critical nucleus size n*, and the stationary nucleation rate Js. Our numerical results are rationalized in terms of a self-consistent nucleation theory where both n* and Js present a non-trivial dependence on s, but which can be determined from the values of effective z-dependent parameters.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | Published under an exclusive license by AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in: Rizzi, LG, Viegas, G and Auer, S , "Ligancy effects on nucleation kinetics' . J. Chem. Phys. 157, 174111 (2022) and may be found at https://doi.org/10.1063/5.0118306. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Physical Chemistry (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 19 Dec 2022 11:13 |
Last Modified: | 20 Dec 2022 00:34 |
Status: | Published |
Publisher: | American Institute of Physics |
Identification Number: | 10.1063/5.0118306 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:194152 |