Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5375974 | Chemical Physics | 2008 | 8 Pages |
Abstract
The hybrid-MMA was used to calculate the cross-sections that govern the binary diffusion coefficient and the interaction viscosity of the H-H2 system. The results were compared with the existing quantum IOSA calculations. The agreement is excellent for temperatures above 500Â K. The present results were also compared with the 'exact' CC calculations. The agreement is very good below 1000Â K, but progressively fails at elevated temperatures. The differences observed, with increasing temperature, can be attributed to a combination of the decreasing accuracy of a particular CC calculation and the expected failure of the MMA/IOSA family of methods when applied to light systems at high temperature.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
V. Vesovic,