TY - JOUR
T1 - Vibrational kinetics in plasma as a functional problem
T2 - a flux-matching approach
AU - Diomede, Paola
AU - van de Sanden, Mauritius C.M.
AU - Longo, Savino
PY - 2018/10/4
Y1 - 2018/10/4
N2 - A new approach to calculate the vibrational distribution function of molecules in a medium providing energy for vibrational excitation is proposed and demonstrated. The approach is an improvement of solution methods based on the drift-diffusion Fokker-Planck (FP) equation for a double differentiable function representing the vibrational populations on a continuum internal energy scale. A self-consistent numerical solution avoids approximations used in previous analytical solutions. The dissociation flux, a key parameter in the FP equation, is fixed using the kinetics of molecular dissociation from near-continuum levels, so that the vibrational kinetics becomes a functional problem. The approach is demonstrated for the kinetics of asymmetric stretching of CO2, showing that it represents an alternative, potentially much more efficient in computational terms, to the presently usual state-to-state approach which is based on the kinetics of the populations of individual levels, and gives complementary insight into the dissociation process.
AB - A new approach to calculate the vibrational distribution function of molecules in a medium providing energy for vibrational excitation is proposed and demonstrated. The approach is an improvement of solution methods based on the drift-diffusion Fokker-Planck (FP) equation for a double differentiable function representing the vibrational populations on a continuum internal energy scale. A self-consistent numerical solution avoids approximations used in previous analytical solutions. The dissociation flux, a key parameter in the FP equation, is fixed using the kinetics of molecular dissociation from near-continuum levels, so that the vibrational kinetics becomes a functional problem. The approach is demonstrated for the kinetics of asymmetric stretching of CO2, showing that it represents an alternative, potentially much more efficient in computational terms, to the presently usual state-to-state approach which is based on the kinetics of the populations of individual levels, and gives complementary insight into the dissociation process.
UR - http://www.scopus.com/inward/record.url?scp=85053832270&partnerID=8YFLogxK
U2 - 10.1021/acs.jpca.8b05623
DO - 10.1021/acs.jpca.8b05623
M3 - Article
C2 - 30188716
AN - SCOPUS:85053832270
SN - 1089-5639
VL - 122
SP - 7918
EP - 7923
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 39
ER -