Zusammenfassung
Various combinations of the hypernetted chain (HNC) equation with the mean spherical approxn. (MSA) and the Percus-Yevick (PY) equation are compared both for a well-known aq. 2-2 electrolyte model soln. and for real acetonitrile solns. Belloni's self-consistency test shows that classical HNC calcns. yield the best compressibility data for the two systems despite an apparently unrealistic g++ ...
Zusammenfassung
Various combinations of the hypernetted chain (HNC) equation with the mean spherical approxn. (MSA) and the Percus-Yevick (PY) equation are compared both for a well-known aq. 2-2 electrolyte model soln. and for real acetonitrile solns. Belloni's self-consistency test shows that classical HNC calcns. yield the best compressibility data for the two systems despite an apparently unrealistic g++ max. in the case of the aq. soln. Effective concn.-dependent potentials making use of the dependence of the soln. permittivity on electrolyte concn. are used for HNC calcns. of osmotic coeffs. for methanol solns.
Altmetric