helium

Radical reactions in the liquid phase

EPR, ENDOR and TRIPLE resonance techniques (organic and inorganic radicals)
Peroxide decomposition reaction mechanisms, kinetics, and stabilization (UV/VIS, Raman, dissolved O₂)
Ab initio modeling of radicals and calculation of hyperfine coupling constants
Theoretical methods for simulating EPR spectra

Research

Radicals are highly reactive intermediates that play important roles in various practical applications such as wastewater treatment as well as wood & paper industry. We employ electron spin resonance (ESR/EPR) and electrochemical methods to identify the radical species and monitor their time-dependent concentrations to deduce their kinetics. The isotropic hyperfine coupling constants can act as sensitive probes in the determination of molecular geometries, dynamics, and radical - solvent interactions. When experiments are combined with modern spectral analysis tools and high-level ab initio calculations, it is possible to analyze complicated samples that contain many different radical species.

Selected recent publications

From a fixed bed Ag-alumina catalyst to a modified reactor design: how to enhance the crucial heterogeneous-homogeneous reactions in HC-SCR?, K. Arve, E. A. Popov, M. R¨onnholm, F. Klingstedt, J. Eloranta, K. Eranen, D. Yu. Murzin. Chemical Engineering Science 59, 5277 (2004).

Mechanism of decomposition of peracetic acid by manganese ions and diethylenetriamine pentaacetic acid (DTPA), E. A. Popov, J. Eloranta, V. Hietapelto, V.-M. Vuorenpalo, R. Aksela, and J. Jakara. Holzforschung 59, 507 (2005).

Effects of static and dynamics perturbations on isotropic hyperfine coupling constants in quinone radicals, S. Fiedler and J. Eloranta. Magnetic Resonance in Chemistry 43, 231 (2005).

Stabilization of H₂O₂ in presence of Fe(II) and Mn(II) impurities under alkaline conditions, E. Popov, J. Valisaari, V.-M. Vuorenpalo, R. Aksela, and J. Eloranta. Holzforschung 61, 543 (2007).

Kinetics of UV-H₂O₂ advanced oxidation in the presence of alcohols: The role of carbon centered radicals, E. Popov, M. Mametkuliyev, D. Santoro, L. Liberti, and J. Eloranta. Environmental Science and Technology 44, 7827 (2010).

Peracetic acid-based advanced oxidation processes for water disinfection and degradation of contaminants: A review, X. Ao, J. Eloranta, C.-H. Huang, D. Santoro, W. Sun, Z. Lu, and C. Li. Submitted to Water Research (2020).

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