@Article{BarretoEAACGLMP:2017:ImNoVi,
               author = "Barreto, Patr{\'{\i}}cia Regina Pereira and Euclides, Henrique 
                         de Oliveira and Albernaz, Alessandra F. and Aquilanti, Vincenzo 
                         and Capitelli, Mario and Grossi, Gaia and Lombardi, Andrea and 
                         Macheret, Sergey and Palazzetti, Federico",
          affiliation = "{Instituto Nacional de Pesquisas Espaciais (INPE)} and {Instituto 
                         Nacional de Pesquisas Espaciais (INPE)} and {Universidade de 
                         Bras{\'{\i}}lia (UnB)} and {Universit{\`a} di Perugia} and 
                         {NANOTEC – Istituto di Nanotecnologia} and {Universit{\`a} di 
                         Perugia} and {Purdue University} and {} and {Universit{\`a} di 
                         Perugia}",
                title = "Gas phase Boudouard reactions involving singlet–singlet and 
                         singlet–triplet CO vibrationally excited states: implications for 
                         the non-equilibrium vibrational kinetics of CO/CO2 plasmas",
              journal = "European Physical Journal D",
                 year = "2017",
               volume = "71",
               number = "10",
                month = "Oct.",
             abstract = "Rate constants for the Boudouard reactions: CO+ CO -> CO2 + C and 
                         CO+ CO -> C2O+ O, involving ground and vibrationally excited 
                         states for both singlet-singlet and singlet-triplet reactant CO 
                         molecules, have been obtained by using the transition-state theory 
                         on an ab initio generated potential energy surface. The dependence 
                         of the activation energies for the different processes on the 
                         vibrational energy of reactants has been estimated through a 
                         parametrization that accounts for the utilization of vibrational 
                         energy and is calculated by the forward and backward ab initio 
                         activation energies of the relevant processes at zero vibrational 
                         energy. The results and their comparison with available 
                         experimental reaction rates demonstrate the importance of 
                         vibrational excitation not only for the singlet-singlet reactions, 
                         but also for the singlet-triplet ones, which are here investigated 
                         for the first time. Finally, the implications of the present 
                         results on the kinetics of CO/CO2 cold plasmas are discussed: for 
                         their modeling the temperature dependence of the obtained rates 
                         for singlet-singlet and singlet-triplet reactants in the ground 
                         vibrational states have been represented by both Arrhenius and 
                         deformed Arrhenius equations.",
                  doi = "10.1140/epjd/e2017-80103-1",
                  url = "http://dx.doi.org/10.1140/epjd/e2017-80103-1",
                 issn = "1434-6060",
             language = "en",
           targetfile = "barreto_gas.pdf",
        urlaccessdate = "01 maio 2024"
}