Naslov
The deep link between energy transfer and kinetics in mechanochemical reactions

Autori
Vugrin, Leonarda ; Carta, Maria ; Lukin, Stipe ; Meštrović, Ernest ; Delogu, Francesco ; Halasz, Ivan

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
6. simpozij studenata doktorskih studija PMF-a : knjiga sažetaka = 6th Faculty of Science PhD student symposium : book of abstracts / Schneider, Petra ; Đaković, Marijana ; Korać, Petra ; Lukić, Aleksandar ; Marušić-Paloka, Eduard ; Novak, Predrag ; Pezelj, Đurđica ; Pikelj, Kristina ; Smolčić, Vernesa - Zagreb, 2022, 170-171

ISBN
978-953-6076-93-2

Skup
6. Simpozij studenata doktorskih studija PMF-a = 6th Faculty of Science PhD Student Symposium

Mjesto i datum
Zagreb, Hrvatska, 23.04.2022. - 24.04.2022

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Podatak o recenziji nije dostupan

Ključne riječi
Mechanochemistry ; Kinetics ; Solid-state ; Raman spectroscopy ; Numerical simulation

Sažetak
Solid-state synthesis by mechanochemistry serves as an alternative to solution synthesis, but for a wider application within the framework of green chemistry, detailed investigations about reaction mechanisms at the molecular level are crucial [1]. One of current disadvantages of mechanochemistry is insufficient understanding of the influence of milling parameters on energy transfer during ball milling. In this paper, simple one-step trimerization of nickel(II) dibenzoylmethane was used as a model system to systematically examine by in situ Raman spectroscopy the effect of the milling frequency, and the material and mass of milling balls on the mechanochemical oligomerization reaction rate (Figure 1). By varying milling parameters, we have modified energy input required for the chemical transformation leading to different reaction profiles. Based on numerical simulations of the milling processes, a linear relationship was established between the reaction rate and the energy dose absorbed by the sample. Consequently, the energy dose increases with the frequency of impacts, mass and the average ball velocity, but decreases with the hardness of milling media to the minimum energy needed to initiate chemical conversion.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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