Pub Date : 2025-10-14DOI: 10.1140/epjd/s10053-025-01074-y
Nilton F. Azevedo Neto, Orisson P. Gomes, Felipe S. Miranda, Paulo N. Lisboa-Filho, Augusto Batagin-Neto, Didier Bégué, Rodrigo S. Pessoa
This research comprehensively examines the physicochemical and optical properties of plasma-activated water (PAW) produced by a serially associated dielectric barrier discharge (DBD) and gliding arc plasma jet (GAPJ) system. Experimental UV–Vis spectroscopy identified prominent absorption bands attributed to reactive oxygen and nitrogen species (RONS) such as nitrite (NO2−), nitrate (NO3−), hydrogen peroxide (H2O2), nitrous acid (HNO2), and nitric acid (HNO3). To precisely interpret the complex and overlapping experimental spectra, density functional theory (DFT) simulations were utilized to model electronic transitions. These theoretical findings crucially revealed the influence of protonation on the optical features, showing blue-shifted bands for ionic species and red-shifted bands for their protonated forms.
Graphic abstract
Integrated UV-Vis and TD-DFT analysis of Plasma-Activated Water (PAW) from a serial DBD-GAPJ system, highlighting the decisive influence of protonation on the optical features of RONS
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Pub Date : 2025-10-08DOI: 10.1140/epjd/s10053-025-01075-x
Kai Wang, Zhong Liu, Shuying Wang, Xinru Li
The collisional relaxation between excited H2 and CO is investigated utilizing the stimulated Raman pumping (SRP) technique to achieve the excited state of H2 X1Σg+(v = 1, J = 9, 11). The excitation to the H2(1, 9) (E = 5900 cm−1) and H2(1, 11) (E = 6245 cm−1) energy levels were confirmed using coherent anti-Stokes Raman spectroscopy (CARS). At a sample cell temperature of 298 ± 1 K, the collisional depopulation rate of H2(1, J) molecules was obtained by fitting the graph of CARS signal intensity versus delay time. The collisional transfer rate coefficients between excited H2(1, J) molecules and CO, under varying excitation energy conditions, were calculated using the Stern–Volmer equation. For J = 9, the rate coefficients were kJ=9(CO) = (2.36 ± 0.55) × 10–14 cm3 s−1 and kJ=9(H2) = (0.89 ± 0.29) × 10–14 cm3 s−1, while for J = 11, they were kJ=11(CO) = (1.90 ± 0.36) × 10–14 cm3 s−1 and kJ=11(H2) = (0.65 ± 0.19) × 10–14 cm3 s−1. It was observed that the collisional transfer rate coefficient decreased with increasing excitation energy. When the cell temperature was varied from 298 to 475 K, the collisional transfer rate coefficients for the H2-CO system increased nonlinearly with temperature. Analysis of the time-resolved CARS spectra for individual rotational levels of H2(1, J) demonstrated that multi-quantum transitions with ΔJ = 4 dominated during relaxation. Furthermore, the higher excitation energy is linked to the longer relaxation times to achieve equilibrium. Elevating the temperature of the cell significantly accelerated the relaxation process, and the rotation-rotation (R-R) energy transfer process exhibited high-temperature sensitivity. The time evolution of the rotational temperature for H2(1, 9) molecules was determined using the Boltzmann rotational distribution. The rotational temperature decayed exponentially, eventually stabilizing within the 362–379 K range.