(335z) Configurational Probabilities for Symmetric Dimers on a Lattice: An Analytical Approximation with Exact Limits at Low and High Densities

Authors: 
Chen, Y., Johns Hopkins University
Aranovich, G., Johns Hopkins University
Donohue, M., Johns Hopkins University


A new approach is developed for lattice density functional theory (LDFT) of symmetric dimers. Equations of equilibrium are derived for the complete set of configurations in the first three shells around the central dimer, and rules of truncation for higher shells are based on exact results from the mathematical theory of domino tilings. This provides exact limits, for both low and high densities. The new model predicts contributions of particular configurations which are in agreement with Monte Carlo simulations over the whole range of densities, including agreement with pocket Monte Carlo simulations at high densities.

Checkout

This paper has an Extended Abstract file available; you must purchase the conference proceedings to access it.

Checkout

Do you already own this?

Pricing


Individuals

AIChE Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
Non-Members $225.00