eprintid: 10061502 rev_number: 35 eprint_status: archive userid: 608 dir: disk0/10/06/15/02 datestamp: 2018-11-14 10:57:51 lastmod: 2021-10-05 00:25:09 status_changed: 2019-03-04 09:38:18 type: article metadata_visibility: show creators_name: Agunloye, E creators_name: Panariello, L creators_name: Gavriilidis, A creators_name: Mazzei, L title: A model for the formation of gold nanoparticles in the citrate synthesis method ispublished: pub divisions: UCL divisions: B04 divisions: C05 divisions: F43 keywords: Science & Technology, Technology, Engineering, Chemical, Engineering, Gold nanoparticles, Citrate reduction method, Seed-mediated mechanism, Turkevich organizer theory, Population balance modelling, SIZE, CATALYSIS, REDUCTION, NANOCRYSTALS, MECHANISM note: This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ abstract: This paper presents a new model for predicting the evolution of the particle size of gold nanoparticles (GNPs) in the citrate synthesis method. In this method, the precursor is an acid solution of tetrachloroauric acid, while the reducing agent is a base solution of sodium citrate. The acid-base properties of the solutions influence how the size of the particles evolves during the synthesis. In the literature, various mechanistic theories have been proposed to explain this evolution. Turkevich et al. (1951), who pioneered this synthesis method, suggested the “organizer theory”. This mechanistic description of the synthesis was modelled by Kumar et al. (2007), but recently Agunloye et al. (2017) showed that in several cases this model performed poorly, since it does not account for the acid-base properties of the reactants. In this work, we present a kinetic model based on the synthesis seed-mediated mechanistic description proposed by Wuithschick et al. (2015). In this description, the precursor concurrently reduces into gold atoms and hydroxylates into a passive form. The gold atoms then aggregate into seed particles, which finally react with the passive form of the precursor in a growth step. We validated the model using experimental data from the literature obtained for conditions in which the seed-mediated mechanism is valid. The predicted GNP final sizes closely agree with those obtained experimentally. date: 2018-12-14 date_type: published publisher: PERGAMON-ELSEVIER SCIENCE LTD official_url: https://doi.org/10.1016/j.ces.2018.06.046 oa_status: green full_text_type: pub language: eng primo: open primo_central: open_green verified: verified_manual elements_id: 1568190 doi: 10.1016/j.ces.2018.06.046 lyricists_name: Agunloye, Emmanuel lyricists_name: Gavriilidis, Asterios lyricists_name: Mazzei, Luca lyricists_name: Panariello, Luca lyricists_id: AGUNL18 lyricists_id: AGAVR68 lyricists_id: LMAZZ90 lyricists_id: LPANA46 actors_name: Stacey, Thomas actors_id: TSSTA20 actors_role: owner full_text_status: public publication: Chemical Engineering Science volume: 191 pagerange: 318-331 pages: 14 issn: 1873-4405 citation: Agunloye, E; Panariello, L; Gavriilidis, A; Mazzei, L; (2018) A model for the formation of gold nanoparticles in the citrate synthesis method. Chemical Engineering Science , 191 pp. 318-331. 10.1016/j.ces.2018.06.046 <https://doi.org/10.1016/j.ces.2018.06.046>. Green open access document_url: https://discovery.ucl.ac.uk/id/eprint/10061502/1/Agunloye%20CC%201-s2.0-S0009250918304160-main.pdf