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Square lattice calculations for the general dimer and trimer problems using the Kikuchi method

R.D. Kaye and D.M. Burley

Physica A: Statistical Mechanics and its Applications, 1977, vol. 87, issue 3, 499-514

Abstract: 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.

Date: 1977
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:87:y:1977:i:3:p:499-514

DOI: 10.1016/0378-4371(77)90047-4

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