Abstract
The Guggenheim-Huggins-Miller approximation of athermal lattice fluids has been a basis for lattice fluid equations of state. For better understanding of GHM solution, it was compared with molecular simulation data of hard-sphere chains. Relations were developed between parameters of lattice and off-lattice chain fluids for the comparison. The Guggenheim-Huggins-Miller approximation was found in good agreements with molecular simulation data of fused-hard-spheres when compared using the developed relations. But the agreements of GHM solution with tangent-hard-sphere chain data were found less satisfactory and deviations increased as segment number increased. Average deviations of GHM solution from mixed tangent-hard-sphere chain data were found similar to those of pure components. Real fluid parameters fitted to a GHM-based lattice fluid equation of state and the first order thermodynamic perturbation theory-based SAFT were found optimized to give similar repulsive contributions.
Original language | English |
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Pages (from-to) | 99-103 |
Number of pages | 5 |
Journal | Fluid Phase Equilibria |
Volume | 244 |
Issue number | 1 |
DOIs | |
Publication status | Published - 2006 Jun 5 |
Keywords
- Athermal lattice chain
- Equation of state
- Fused-hard-sphere chain
- Hard-sphere chain
- Molecular simulation
ASJC Scopus subject areas
- General Chemical Engineering
- General Physics and Astronomy
- Physical and Theoretical Chemistry