ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The Ornstein–Zernike equation is solved in the mean spherical approximation (MSA) for a model liquid with an internal degree of freedom. The spatial variation of the potential outside the hard core is given by a combination of Yukawa potentials. We compute the equations of state from analytic expressions derived in this work, and also the spin-dependent pair correlation function and its value averaged over the internal degrees of freedom. The model system displays an increase of the pressure over the hard-sphere system, and the pair correlation function that depends on the internal degrees of freedom shows a structure consistent with the effect of such degrees of freedom on interparticle interactions. The usual strengths and inconsistencies of the MSA are observed in this work. These calculations provide a starting point, other than computer simulations, for treatment of liquid models with many internal degrees of freedom, for the study of polar liquids and chemical reactions in solution.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.456031
