Thermodynamic properties in the molecular dynamics ensemble applied to the Gaussian core model fluid

Journal of Chemical Physics

Volumn 134, Issue 11, 2011, Pages

  Mausbach, Peter ^a   Sadus, Richard J ^b  

^a Campus Deutz   (Germany)

^b SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL MOLECULAR DYNAMICS; EQUILIBRIUM SYSTEMS; GAUSSIAN CORE MODELS; ISOCHORIC HEAT CAPACITY; ISOTHERMAL AND ADIABATIC; JOULE-THOMSON COEFFICIENT; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR-DYNAMICS ENSEMBLE; PHASE-SPACE FUNCTIONS; PRESSURE COEFFICIENTS; SPEED OF SOUNDS; THERMAL EXPANSION COEFFICIENTS; THERMODYNAMIC INFORMATION; THERMODYNAMIC STATE VARIABLES;

FLUIDS; GAUSSIAN DISTRIBUTION; PHASE SPACE METHODS; THERMAL EXPANSION; THERMODYNAMICS;

MOLECULAR DYNAMICS;

EID: 79953200480     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3559678     Document Type: Article

References (26)

1. R. Lustig, J. Chem. Phys. 100, 3048 (1994). 10.1063/1.466446
2. R. Lustig, J. Chem. Phys. 100, 3060 (1994). 10.1063/1.466447
3. R. Lustig, J. Chem. Phys. 100, 3068 (1994). 10.1063/1.466448
4. R. Lustig, J. Chem. Phys. 109, 8816 (1998). 10.1063/1.477552 (Pubitemid 128672459)
5. K. Meier and S. Kabelac, J. Chem. Phys. 124, 064104 (2006). 10.1063/1.2162889 (Pubitemid 43248007)
6. E. M. Pearson, T. Halicioglu, and W. A. Tiller, Phys. Rev. A 32, 3030 (1985). 10.1103/PhysRevA.32.3030
7. T. Cain and J. R. Ray, Phys. Rev. A 37, 247 (1988). 10.1103/PhysRevA.37. 247
8. T. Cain and J. R. Ray, Phys. Rev. A 37, 4510 (1988). 10.1103/PhysRevA.37. 4510
9. F. H. Stillinger, J. Chem. Phys. 65, 3968 (1976). 10.1063/1.432891
10. C. N. Likos, Phys. Rep. 348, 267 (2001). 10.1016/S0370-1573(00)00141-1
11. F. H. Stillinger and D. K. Stillinger, Physica A 244, 358 (1997). 10.1016/S0378-4371(97)00246-X
12. P. Mausbach and H.-O. May, Fluid Phase Equilib. 249, 17 (2006). 10.1016/j.fluid.2006.07.021 (Pubitemid 44693049)
13. W. P. Krekelberg, T. Kumar, J. Mittal, J. R. Errington, and T. M. Truskett, Phys. Rev. E 79, 031203 (2009). 10.1103/PhysRevE.79.031203
14. A. Lang, C. N. Likos, M. Watzlawek, and H. Lwen, J. Phys.: Condens. Matter 12, 5087 (2000). 10.1088/0953-8984/12/24/302
15. P. V. Giaquinta and F. Saija, ChemPhysChem 6, 1768 (2005). 10.1002/cphc.200400565 (Pubitemid 41329993)
16. S. Prestipino, F. Saija, and P. V. Giaquinta, Phys. Rev. E 71, 050102(R) (2005). 10.1103/PhysRevE.71.050102 (Pubitemid 41480912)
17. P. Mausbach, A. Ahmed, and R. J. Sadus, J. Chem. Phys. 131, 184507 (2009). 10.1063/1.3256004
18. P. Mausbach and H.-O. May, Proc. Appl. Math. Mech. 5, 685 (2005). 10.1002/pamm.200510318
19. H.-O. May and P. Mausbach, Phys. Rev. E 76, 031201 (2007). 10.1103/PhysRevE.76.031201 (Pubitemid 47443088)
20. P. Mausbach and H.-O. May, Z. Phys. Chem. 223, 1035 (2009).
21. P. Mausbach and H.-O. May, Proc. Appl. Math. Mech. 8, 10631 (2008). 10.1002/pamm.200810631
22. A. Ahmed, P. Mausbach, and R. J. Sadus, J. Chem. Phys. 131, 224511 (2009). 10.1063/1.3273083
23. A. Ahmed, P. Mausbach, and R. J. Sadus, Phys. Rev. E 82, 011201 (2010). 10.1103/PhysRevE.82.011201
24. C. W. Gear, Numerical Initial Value Problems in Ordinary Differential Equations (Prentice-Hall, Englewood Cliffs, NJ, 1971).
25. S. Sastry, P. G. Debenedetti, F. Sciortino, and H. E. Stanley, Phys. Rev. E 53, 6144 (1996). 10.1103/PhysRevE.53.6144
26. G. Benedetto, R. M. Gavioso, P. A. Giuliano Albo, S. Lago, D. Madonna Ripa, and R. Spagnolo, Int. J. Thermophys. 26, 1667 (2005). 10.1007/s10765-005- 8587-2 (Pubitemid 41813301)