Zur theorie polarer multikomponentsysteme
A fluid mixture consisting of molecules with permanent electric dipole moment and scalar polarizability is described by means of correlation functions. To analyse the two-particle correlation functions we extend the graph-theoretical conception developed by Wertheim in the case of multicomponent systems by using graphs with colored points. In order to carry out a topological reduction of these sets of colored graphs the corresponding functions are found to be matrices or tensors. By the aid of a new connecting formalism the tensor notation preserves the structure of the equations in the analysis of correlation functions. These functions can be separated with respect to the range of interactions involved. Then, in applying the results to the case of a polar multicomponent mixture we can derive equations for the dielectric constant of systems consisting of both rigid and polarizable dipoles. These equations involve a correlation factor matrix which is the multicomponent equivalence of the Kirkwood factor. The dielectric expressions are used to obtain dipolar contributions to the Helmholtz free energy of mixing.
Year of publication: |
1976
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Authors: | Winkelmann, J. |
Published in: |
Physica A: Statistical Mechanics and its Applications. - Elsevier, ISSN 0378-4371. - Vol. 83.1976, 2, p. 276-300
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Publisher: |
Elsevier |
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