Square lattice calculations for the general dimer and trimer problems using the Kikuchi method
Square lattice models for the general dimer and trimer problems are considered. A secondary lattice for the dimer problem is constructed, and a double square Kikuchi calculation produces an athermal molecular freedom within 2% of the known exact result. With interactions, departures from ideality of mixing entropy and vapour pressure are calculated at different temperatures, and an asymmetrical phase separation occurs at a reduced temperature 0.08. The general trimer problem is considered in a single square Kikuchi calculation. A single interaction is included. The molecular freedom and thermodynamic non-ideality of rigid linear, rigid angled and flexible trimers are compared. In the rigid linear case a phase separation occurs at reduced temperature 0.04. The molecular freedom of rigid linear trimers is calculated using higher Kikuchi approximations, and the result agrees well with previous estimates.
Year of publication: |
1977
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Authors: | Kaye, R.D. ; Burley, D.M. |
Published in: |
Physica A: Statistical Mechanics and its Applications. - Elsevier, ISSN 0378-4371. - Vol. 87.1977, 3, p. 499-514
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Publisher: |
Elsevier |
Saved in:
Online Resource
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