The thermal diffusion factor of Ar-CO2 mixtures: New measurements and comparison with quantum calculations

Autor:	Valentina Vassilenko, A. F. Zolotoukhina, A. G. Shashkov, M. F. Laranjeira, Franco A. Gianturco, Francesco Paesani, M. A. Cunha
Rok vydání:	1999
Předmět:	Chemistry Quantum dynamics Potential energy surface Biophysics Thermodynamics Molecule Decoupling (cosmology) Physical and Theoretical Chemistry Diffusion (business) Condensed Matter Physics Thermal diffusivity Molecular Biology Quantum
Zdroj:	Molecular Physics. 97:869-880
ISSN:	1362-3028 0026-8976
DOI:	10.1080/00268979909482889
Popis:	New measurements for the thermal diffusion factor and for the diffusion coefficient derived from it are reported for the Ar-CO2 gaseous mixture at different temperatures and for various concentrations of the CO2 molecule. Several of the interaction potentials between the partners which have been suggested in the literature are examined, and quantum dynamics calculations are carried out to compare their performances using the infinite order sudden dynamic decoupling scheme. The present results are compared with other experiments and show clearly that, although one of the empirical potentials turns out to be the most realistic for describing such properties, a unique form of a multiproperty-tested potential energy surface for this system is still lacking.
Databáze:	OpenAIRE
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