Abstract
The Binary-Encounter Bethe approach was applied to the estimation of total ionization induced by electron impact in metastable states of diatomic molecules. The cross sections recently obtained for N2 and CO are reviewed and the new results for H2 are presented, discussing their reliability through the comparison with other theoretical methods.
Highlights
The kinetics of nonequilibrium, low-temperature plasmas is driven by the presence of radicals and excited species that can be regarded as reactivity enhancers, activating channels otherwise inaccessible and modifying the route to products
The threshold in the Binary-Encounter Bethe (BEB) approach depends on the B value for the highest occupied molecular orbital (HOMO) 1πg, and was obtained subtracting the values for the corresponding orbital in the α and β sets
The unrestricted Hartree Fock (UHF) value of 8.47 eV [29] is lower than the expected value of 10.47 eV, which corresponds to the first allowed, one-electron process of ionization connecting the metastable state of the N2 molecule to the first excited state of the molecular ion, i.e., N2(A3Σ+u (1πu33σg21π1g)) − e(1πg) → N2+(A2Πu(1πu33σg2))
Summary
The kinetics of nonequilibrium, low-temperature plasmas is driven by the presence of radicals and excited species that can be regarded as reactivity enhancers, activating channels otherwise inaccessible and modifying the route to products. The chemistry is coupled to the kinetics of free electrons and the internal and electron energy distributions are mutually affected In this complex scenario, the metastable states, due to their considerably longer lifetimes with respect to radiating excited states, can play a role, acting as a energy reservoir in the post-discharge relaxation phase and sustaining the plasma through the secondary collisions. The metastable states, due to their considerably longer lifetimes with respect to radiating excited states, can play a role, acting as a energy reservoir in the post-discharge relaxation phase and sustaining the plasma through the secondary collisions This is the case of N2(A3Σ+u ) state in the nitrogen afterglow [7,8] and in high-enthalpy hypersonic flows [9], of CO(a3Π) in CO2 discharges [10] and the odd oxygen, i.e., O2(a1∆g), O1S excited states, key in the control of ignition delay time in combustion [11]. The results recently obtained for to the metastable states of N2 and CO [29] are reviewed and new results for H2 molecule are presented, discussing the comparison with other theoretical methods
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