Abstract: Mechanochemistry considers chemical transformations under mechanical treatment. Control over the mechanochemical reactions can be carried out in different ways, which include changing the type ofmechanoactivator (mill), varying the sample mass-to-ball ratio, applying additives (liquids, polymers), cryogenic grinding, etc. The analysis of the results of mechanochemical experiments can be carried out both in ex-situ mode, by interrupting the process and analyzing the sample, and in-situ mode using synchrotron radiation sources or Raman spectroscopy. Milling jars for the in-situ experiments are often made of different polymers (for example, PMMA), in order to increase the transmittance of X-ray or laser radiation and improve signal-to-noise ratio. However, the effect of the jar wall material on the mechanochemical process was studied only in a few recent publications [1-3]. Here we present the results obtained in a few case studies using a 3D printing to manufacture special inserts placed inside the milling jar, in order to study the effect of various polymer materials on mechanochemical reactions. Polymorphic transitions in glycine and CBZ went faster in a steel container compared to jars with polymer inserts (PETG, PLA,ABS); also different polymers had different effect on these transformations. The CBZ III → IV transformation was supposed to be faster in steel compared to polymers because the higher hardness of the metal facilitated the amorphization of CBZ III, which is necessary for the subsequent formation of a metastable form IV. Dehydration of CBZ dehydrate, in contrast, was accelerated in containers with polymer inserts, presumably due to the higher hygroscopicity of plastics compared to steel. This work was supported by Ministry of Science and Higher Education of the Russian Federation within the governmental assignment for Boreskov lnstitute of Catalysis (project FWUR-2024-0032). Experimental facilities of the Chair of Solid State Chemistry (Novosibirsk State University) were used. References 1. Germann, L. S., Arhangelskis, M., Etter, M., Dinnebier, R. E., & Friščić, T. Chem. Sci., 2020, 11(37), 10092-10100; 2. Losev, E., Arkhipov, S., Kolybalov, D., Mineev, A., Ogienko, A., Boldyreva, E., & Boldyrev, V. CrystEngComm, 2022, 24(9), 1700-1703; 3. Linberg, K., Emmerling, F., & Michalchuk, A. A. Cryst. Growth Des., 2022, 23(1), 19-23.

Cite: Losev E.A. , Zheltikova D.Y. , Kolybalov D.S. , Ogienko A.G. , Boldyreva E.V.
A New Approach to Polymer-Assisted Mechanochemistry: 3D Printed Polymer Inserts for Control of Mechanochemical Processes
9th IAPC Meeting International Conference on Emerging Technologies in Drug Discovery and Development 23-25 Sep 2024