The relaxation behavior of supercooled and glassy imidacloprid

Mansuri, Ali; Münzner, P.; Feuerbach, T.; Vermeer, A. W. P.; Hoheisel, W.; Böhmer, R.; Thommes, M.; Gainaru, Catalin

doi:10.1063/5.0067404

The relaxation behavior of supercooled and glassy imidacloprid

Journal Article · Tue Nov 02 00:00:00 EDT 2021 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/5.0067404· OSTI ID:2575362

^[1]; ^[2]; Feuerbach, T. ^[2]; ^[3]; Hoheisel, W. ^[4]; ^[2]; ^[2]; ^[5]

INVITE GmbH, Leverkusen (Germany); Technische Univ. of Dortmund (Germany)
Technische Univ. of Dortmund (Germany)
Bayer AG, Monheim (Germany)
INVITE GmbH, Leverkusen (Germany)
Technische Univ. of Dortmund (Germany); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Employing dielectric spectroscopy, oscillatory shear rheology, and calorimetry, the present work explores the molecular dynamics of the widely used insecticide imidacloprid above and below its glass transition temperature. In its supercooled liquid regime, the applied techniques yield good agreement regarding the characteristic structural (alpha) relaxation times of this material. In addition, the generalized Gemant–DiMarzio–Bishop model provides a good conversion between the frequency-dependent dielectric and shear mechanical responses in its viscous state, allowing for an assessment of imidacloprid’s molecular hydrodynamic radius. In order to characterize the molecular dynamics in its glassy regime, we employ several approaches. These include the application of frequency–temperature superposition (FTS) to its isostructural dielectric and rheological responses as well as use of dielectric and calorimetric physical aging and the Adam–Gibbs–Vogel model. While the latter approach and dielectric FTS provide relaxation times that are close to each other, the other methods predict notably longer times that are closer to those reflecting a complete recovery of ergodicity. In conclusion, this seemingly conflicting dissimilarity demonstrates that the molecular dynamics of glassy imidacloprid strongly depends on its thermal history, with high relevance for the use of this insecticide as an active ingredient in technological applications.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2575362

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 17 Vol. 155; ISSN 1089-7690; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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