ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We apply integral equation theory to the calculation of the thermodynamics and the distribution functions of a mixture of hydrogen atoms and molecules at high densities and temperatures. The integral equations are found to tackle very efficiently the problem of the softness and the nonadditivity of the potentials, as encountered under these conditions, and give better results than hard sphere perturbation theory. Comparison with Monte Carlo calculations show that the so-called HMSA and modified hypernetted chain (MHNC) equations, give almost perfect results. This extends the range of validity of these schemes to domains of high pressures and temperatures.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.459832
