A simple equation of state for the Lennard-Jones fluid. A new reference term for equations of state and perturbation theories (EN)

Tassios, DP (EN)

Harismiadis, VI (EN)

Koutras, NK (EN)

Koutras, N.K., Harismiadis, V.I. and Tassios, D.P., 1992. A simple equation of state for the Lennard-Jones fluid: a new reference term for equations of state and perturbation theories. Fluid Phase Equilibria, 77: 13-38. A simple equation of state (EoS) for the Lennard-Jones (LJ) fluid that has a form similar to the Carnahan-Starling (CS) equation of state for the hard sphere fluid is presented. Excellent agreement between simulation data and calculated values for vapor pressures, saturated liquid and vapor densities and vapor PVT behavior is obtained for subcritical temperatures except in the critical region. For supercritical temperatures, the results are satisfactory but become less so with increased temperature and density. When combined with the van der Waals one fluid theory, the proposed equation provides satisfactory agreement with molecular simulation vapor-liquid equilibria results for binary LJ mixtures. Its overall behavior makes it suitable for use as a reference term in equations of state for real fluids. © 1992. (EN)

journalArticle (EN)

Vapor-liquid equilibria (EN)

Mixtures (EN)

Van der Waals forces (EN)

Physical chemistry (EN)

Lennard-Jones (EN)

Lennard-Jones fluids (EN)

Hard sphere fluids (EN)

Chemistry, Physical (EN)

Thermodynamics (EN)

Engineering, Chemical (EN)

Monte Carlo methods (EN)

Fluids (EN)

Binary Lennard-Jones mixtures (EN)

Equations of state (EN)

Perturbed equations of state (EN)

Perturbation techniques (EN)

Fluid phase equilibria (EN)

Phase equilibria (EN)

Second virial coefficients (EN)

Mathematical models (EN)

Equation of state reference terms (EN)

Monte Carlo simulation (EN)

National Technical University of Athens

Digital Library of National Technical University of Athens | Dspace@NTUA

Κεντρική Βιβλιοθήκη Ε.Μ.Π.

Ιδρυματικό Αποθετήριο

Δημοσιεύσεις μελών Δ.Ε.Π. σε περιοδικά

Fluid Phase Equilibria (EN)

English

1992 (EN)

http://hdl.handle.net/123456789/10621

77 (EN)

13 (EN)

C (EN)

38 (EN)

0378-3812 (EN)

ISI:A1992JR36700001 (EN)

ELSEVIER SCIENCE BV (EN)