Thermodynamics of fluid benzene from molecular dynamics simulations

Journal of Molecular Liquids

Volumn 98-99, Issue , 2002, Pages 241-259

  Friedrich, Axel ^a   Lustig, Rolf ^a  

^a Cleveland State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; EQUATIONS OF STATE OF LIQUIDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; THERMODYNAMIC PROPERTIES;

MOLECULAR DYNAMICS SIMULATION;

BENZENE;

EID: 0036570084     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (28)

1. Thermodynamic properties of model molecules with hexagonal symmetry from statistical mechanical theory
2. Influence of intermolecular potential parameters on orthobaric properties of fluids consisting of spherical and linear molecules
3. Description of polyatomic real substances by two-center Lennard-Jones model fluids
4. Results of a perturbation theory for liquids and mixtures consisting of monatomic and diatomic molecules
5. A thermodynamic perturbation theory for non-linear multicentre Lennard-Jones molecules with an anisotropic reference system
6. 6 as tetrahedral and octahedral models
7. Prediction of excess properties for liquid mixtures: Results from perturbation theory for mixtures with linear molecules
8. Thermodynamic perturbation theory for mixtures of spherical and tetrahedral molecules
9. On the thermodynamics of liquid propane. A molecular dynamics study
10. Specific heats for simple molecular fluids from molecular dynamics simulations
11. A molecular dynamics study of the thermodynamics of liquid ethane
12. Prediction of thermodynamic properties for fluid oxygen with MD simulations
13. Thermodynamics of liquid oxygen from molecular dynamics simulations
14. Thermodynamics of fluid sulfur hexafluoride from molecular dynamics simulations
15. New intermolecular potential models for benzene and cyclohexane
16. Molecular dynamics of rigid systems in cartesian coordinates. A general formulation
17. Statistical thermodynamics in the classical molecular dynamics ensemble. I. Fundamentals
18. Statistical thermodynamics in the classical molecular dynamics ensemble. II. Application to computer simulation
19. Statistical thermodynamics in the classical molecular dynamics ensemble. III. Numerical results
20. Error estimation on averages of correlated data
21. Benzene thermophysical properties from 279 to 900 K at pressures to 1000 bar
22. X-ray diffraction pattern and models of liquid benzene
23. On the structure of liquid benzene
24. Residual Helmholtz energies of liquid benzene between 300 and 465 K up to 60 MPa
25. Microcanonical Monte Carlo simulation of thermodynamic properties