Sep 12, 2010
Lattice Models for Thermodynamic Properties of Fluids
Lattice Models for thermodynamic properties of fluids is a good Chemical Engineering project who's goal is to investigate an important problem in fine-lattice discretization technique, namely, how to build fine-lattice models reproducing properties of diatomic molecules and other systems of interest. You can also Subscribe to FINAL YEAR PROJECT'S by Email for more such projects and seminar.
In this thesis, this method is used along with grand canonical histogram re-weighing Monte Carlo calculations to obtain the coexistence properties of various non-polar and polar real and model fluids. Moreover, mixed-field finite size scaling methods have been used to determine critical parameters of the systems studied. New intermolecular potential models have been developed for diatomic molecules using off-lattice calculations to reproduce experimentally observed coexistence densities, vapor pressures, and critical parameters.
A numerical study of the two-D and 3-dimensional cases is presented and the dependence of the lattice dis-cretization parameter on the number of lattice points contained within a hard-core sphere has been investigated. The distribution of the lattice points oscillates around a limiting form for the lattice dis-cretization parameter.
Author:- Moghaddam, sarvin
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