A lattice model for fluids with directional interactions

Journal Article · Sun Aug 01 04:00:00 EDT 1999 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.479473· OSTI ID:355433

Aranovich, G; Donohue, P; Donohue, M ^[1]

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1. Department of Chemical Engineering, The Johns Hopkins University, Baltimore, Maryland 21218 (United States)

Here we analyze a lattice model for fluids with directional interactions in the framework of the Ono{endash}Kondo theory. The free energy of the system is represented as an explicit function of the temperature and bulk density. It is shown that the model predicts both order{endash}disorder and vapor{endash}liquid phase transitions. This theory predicts a tricritical point where the vapor{endash}liquid and order{endash}disorder phase transitions both disappear. Also, it predicts retrograde condensation where the boundary of phase stability becomes a multivalued function of concentration. In addition, predictions of the theory are compared with Monte Carlo simulation data. It is shown that the partition function cannot be factored to predict separately the contributions of, for example, dispersion and hydrogen bonding interactions. {copyright} {ital 1999 American Institute of Physics.} thinsp

• OSTI ID: 355433
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 5 Vol. 111; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
66 PHYSICS
CHEMICAL BONDS
CRITICAL TEMPERATURE
DENSITY
FLUIDS
FREE ENERGY
ORDER-DISORDER TRANSFORMATIONS
PHASE TRANSFORMATIONS
VAPOR CONDENSATION