Elastic and absorption cross sections for electron–hydroxyl radical collisions

Abstract

In this work, we report a theoretical study on electron collisions with OH radicals in the low and intermediate energy ranges. Calculated elastic differential, integral, and momentum-transfer cross sections as well as grand-total (elastic + inelastic) and total absorption cross sections for electron-OH collisions are reported in the 1-500-eV range. A complex optical potential composed by static, exchange, correlation-polarization plus absorption contributions, derived from a fully molecular wave function, is used to describe the interaction dynamics. The Schwinger variational iterative method combined with the distorted-wave approximation is applied to calculate scattering amplitudes. Present calculated results are compared with the existing data for electron-OH scattering in the literature. Also, comparison made between our calculated cross sections for elastic scattering with the theoretical and experimental results for electron-H 2 O collisions has revealed remarkable similarity even at incident energies as low as 2 eV.

A theoretical study on elastic electron–CHx(x= 1, 2, 3, 4) collisions in the low-energy range

“…More recently, Baluja et al [15] reported an R-matrix calculation of elastic and excitation cross sections for low-energy electron collisions with ClO. Also, theoretical studies for electron scattering by several radicals [16][17][18] have been reported by our group in recent past.…”

Transport Coefficients in Water Plasma: Part I: Equilibrium Plasma

“…For electron energies from 2 to 500 eV the theoretical differential cross sections of Sobrinho et al [67] were used and were complemented by those of Chen et al [68] for e = 1.58 eV. The transfer cross sections Q (') were obtained using numerical integrations.…”

Calculation and comparative analysis of the mean energy expended per ion pair by electrons in water and hydroxyl radical

“…Theoretical calculations of the total scattering cross-section σ tot (the sum of the cross-section σ el for elastic scattering and the total inelastic-scattering cross-section σ inel ) for electron collisions with hydroxyl radical can be found in refs. [9][10][11], where the authors calculated the σ tot values for the electron energy range from 30 to 5000 eV [9], 50 to 2000 eV [10], and 1 to 500 eV [11]. The cross-sections for elastic electron-OH scattering were calculated in paper [11] for the electron energy ranging from 1 to 500 eV.…”

“…The same table lists the oscillator strength values [13]. The cross-sections σ inel for inelastic electron-hydroxyl radical collisions (the sum of the (total) excitation cross-section σ ex and the (total) ionization cross-section σ i tot ) were calculated in the works [9] (up to 5000 eV), [10] (up to 2000 eV) and [11] (up to 500 eV). The excitation rate constants of the electron levels A 2 Σ + and B 2 Σ + were calculated in ref.…”

“…3 along with the integrated data on the cross-sections for the following processes: elastic collisions (the data of ref. [11] were interpolated to the region of low (<1 eV) and "high" (500 eV) electron energies); vibrational level excitations, v = 1 [12]; and also the total cross-section for electronic level excitation (the present work).…”