Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session N00: Poster Session II (11:30am-2:30pm CST)
11:30 AM,
Wednesday, March 6, 2024
Room: Hall BC
Sponsoring
Unit:
APS/SPS
Abstract: N00.00374 : Heterogeneous nucleation of urea from aqueous solutions: a combined experimental and simulation approach*
Presenter:
Karen Johnston
(University of Strathclyde)
Authors:
Karen Johnston
(University of Strathclyde)
Samira Anker
(University of Strathclyde)
Paul Mulheran
(University of Strathclyde)
Jan Sefcik
(University of Strathclyde)
David McKechnie
(University of Strathclyde)
We present a study of crystal nucleation of urea from aqueous solution at three solid interfaces (glass, PTFE and diamond) using both small-scale, high-throughput experiments and MD simulations4. PTFE was found to significantly increase the urea nucleation rate, with diamond having only a moderate effect compared to the control (glass vials). MD simulations showed that the interfacial concentration enhancement was strongest for PTFE and weakest for glass, indicating that this interfacial concentration enhancement effect plays a key role in heterogeneous nucleation kinetics. Increased understanding of how surfaces influence nucleation will enable design of nucleants to enhance desired crystal nucleation or to design process equipment to prevent fouling.
1. McKechnie D, Anker S, Zahid S, Mulheran PA, Sefcik J, Johnston K, J Phys Chem Lett 2020, 11, 2263
2. Vesga MJ, McKechnie D, Mulheran PA, Sefcik J, Johnston K, Cryst Eng Comm, 2019, 21, 2234
3. McKechnie D, Mulheran PA, Sefcik J, Johnston K, J Phys Chem C, 2022, 38, 16387
4. Anker S, McKechnie D, Mulheran PA, Sefcik J, Johnston K, under review
*The authors thank EPSRC and the Future Manufacturing Research Hub in Continuous Manufacturing and Advanced Crystallization (Grant ref: EP/P006965/1) for funding this work. Results were obtained using the ARCHIE-WeSt High Performance Computer (https://www.archie-west.ac.uk) based at the University of Strathclyde.
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