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Pregled bibliografske jedinice broj: 926548

Enthalpy vs. friction: heat flow modelling of unexpected temperature profiles in mechanochemistry of metal–organic frameworks


Užarević, Krunoslav; Ferdelji, Nenad; Mrla, Tomislav; Julien, Patrick A.; Halasz, Boris; Friščić, Tomislav; Halasz, Ivan
Enthalpy vs. friction: heat flow modelling of unexpected temperature profiles in mechanochemistry of metal–organic frameworks // Chemical Science, 9 (2018), 2525-2532 doi:10.1039/c7sc05312f (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 926548 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Enthalpy vs. friction: heat flow modelling of unexpected temperature profiles in mechanochemistry of metal–organic frameworks

Autori
Užarević, Krunoslav ; Ferdelji, Nenad ; Mrla, Tomislav ; Julien, Patrick A. ; Halasz, Boris ; Friščić, Tomislav ; Halasz, Ivan

Izvornik
Chemical Science (2041-6520) 9 (2018); 2525-2532

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Mechanochemistry ; in situ synchrotron diffraction monitoring ; MOF materials ; heat-flow monitoring ; temperature fluctuations

Sažetak
Mechanochemical reactions by ball milling are becoming increasingly popular across a wide range of chemical sciences, but understanding and evaluation of temperature during such processes remains a persistent challenge, especially for organic and metal–organic materials. Here, we describe the first methodology for precise real-time measurement of sample temperature during mechanochemical transformations. Using this technique coupled with real-time in situ reaction monitoring by synchrotron X-ray diffraction and numerical simulations of heat flow, we have shown that the temperature profiles of mechanochemical reactions are dominantly determined by the energy dissipated through friction between the sample and the moving milling assembly, while the reaction enthalpy will usually be comparatively insignificant. With the changes in composition during mechanochemical reactions, frictional properties of the milled material change, leading to either better or worse energy absorption upon collisions in the process of milling. This approach explains unexpected and rapid temperature drops during exothermic transformations of ZIF-8 polymorphs. Since reaction kinetics are highly sensitive to changes in temperature, precise temperature profiles provided here will be mandatory to understand kinetics and its changes during milling, and will aid in developing the comprehensive model of mechanochemical reactivity.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Strojarstvo



POVEZANOST RADA


Projekt / tema
HRZZ-UIP-2014-09-4744 - Mehaniokemijska reaktivnost pod kontroliranim uvjetima temperature i atmosfere za čišću sintezu funkcionalnih materijala (Krunoslav Užarević, )

Ustanove
Institut "Ruđer Bošković", Zagreb,
Fakultet strojarstva i brodogradnje, Zagreb

Profili:

Avatar Url Boris Halasz (autor)

Avatar Url Nenad Ferdelji (autor)

Avatar Url Ivan Halasz (autor)

Avatar Url Krunoslav Užarević (autor)

Citiraj ovu publikaciju

Užarević, Krunoslav; Ferdelji, Nenad; Mrla, Tomislav; Julien, Patrick A.; Halasz, Boris; Friščić, Tomislav; Halasz, Ivan
Enthalpy vs. friction: heat flow modelling of unexpected temperature profiles in mechanochemistry of metal–organic frameworks // Chemical Science, 9 (2018), 2525-2532 doi:10.1039/c7sc05312f (međunarodna recenzija, članak, znanstveni)
Užarević, K., Ferdelji, N., Mrla, T., Julien, P., Halasz, B., Friščić, T. & Halasz, I. (2018) Enthalpy vs. friction: heat flow modelling of unexpected temperature profiles in mechanochemistry of metal–organic frameworks. Chemical Science, 9, 2525-2532 doi:10.1039/c7sc05312f.
@article{article, year = {2018}, pages = {2525-2532}, DOI = {10.1039/c7sc05312f}, keywords = {Mechanochemistry, in situ synchrotron diffraction monitoring, MOF materials, heat-flow monitoring, temperature fluctuations}, journal = {Chemical Science}, doi = {10.1039/c7sc05312f}, volume = {9}, issn = {2041-6520}, title = {Enthalpy vs. friction: heat flow modelling of unexpected temperature profiles in mechanochemistry of metal–organic frameworks}, keyword = {Mechanochemistry, in situ synchrotron diffraction monitoring, MOF materials, heat-flow monitoring, temperature fluctuations} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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