TY - JOUR
T1 - Choice of gas kinetic rate coefficients in the vibrational relaxation of highly excited polyatomic molecules
AU - Lendvay, György
AU - Schatz, George C
PY - 1992/1/1
Y1 - 1992/1/1
N2 - We examine the convergence of average energy transfer with maximum impact parameter in classical trajectory studies of CS2 collisional relaxation by He, Xe, H2, CO, CS2, and CH4, SF6 relaxation by He, Ar, Xe, and SF6, and SiF4 relaxation by Ar. This leads to estimates of the gas kinetic collision rate coefficient that are substantially larger (by a factor of 3.1 on average, and a maximum of 4.7) than are obtained using the traditional Lennard-Jones collision frequency.
AB - We examine the convergence of average energy transfer with maximum impact parameter in classical trajectory studies of CS2 collisional relaxation by He, Xe, H2, CO, CS2, and CH4, SF6 relaxation by He, Ar, Xe, and SF6, and SiF4 relaxation by Ar. This leads to estimates of the gas kinetic collision rate coefficient that are substantially larger (by a factor of 3.1 on average, and a maximum of 4.7) than are obtained using the traditional Lennard-Jones collision frequency.
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U2 - 10.1021/j100188a035
DO - 10.1021/j100188a035
M3 - Article
AN - SCOPUS:0041701926
SN - 0022-3654
VL - 96
SP - 3752
EP - 3756
JO - Journal of Physical Chemistry
JF - Journal of Physical Chemistry
IS - 9
ER -