Rotational statistics and thermodynamic functions of hydrogen peroxide |
| |
Authors: | JOSEPH A. KUNC |
| |
Affiliation: | University of Southern California , Los Angeles , California , 90089-1191 , USA |
| |
Abstract: | Partition functions for both the rotational modes (hindered internal rotation and overall rotation) of the hydrogen peroxide (H2O2) molecule in the ground electronic state are studied using quantum and classical Gibbsian statistical mechanics. The partition functions are used to calculate rotational thermodynamic functions (internal energy, enthalpy, Helmholtz free energy, Gibbs free energy and entropy) of a hydrogen peroxide gas of weakly interacting molecules at temperatures above 300 K. |
| |
Keywords: | chemical reaction statistical theory scattering theory overlapping resonance random matrix |
|
|