A comparison of molecular-based models to determine vapor-liquid phase coexistence in hydrogen fluoride

Fluid Phase Equilibria

Volumn 158-160, Issue , 1999, Pages 37-47

  Visco Jr , Donald P ^a   Kofke, David A ^a  

^a the State University of New York   (United States)

Author keywords

Association; Hydrogen fluoride; Molecular simulation; SAFT; Vapor pressure; Vapor liquid equilibria

Indexed keywords

COMPUTER SIMULATION; DENSITY (SPECIFIC GRAVITY); ENTHALPY; HYDROGEN INORGANIC COMPOUNDS; MOLECULAR DYNAMICS; VAPOR PRESSURE; VAPORIZATION;

GIBBS-DUHEM INTEGRATION TECHNIQUE; HYDROGEN FLUORIDE; STATISTICAL ASSOCIATING FLUID THEORY;

PHASE EQUILIBRIA;

HYDROFLUORIC ACID;

CONFERENCE PAPER; LIQUID; MOLECULAR DYNAMICS; MOLECULAR MODEL; PHASE TRANSITION; THERMODYNAMICS; VAPOR;

EID: 4243332388     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0378-3812(99)00132-6     Document Type: Article

References (36)

1. K. Gubbins, Fluid Phase Equilibria 83 (1993) 1-14.
2. W.G. Chapman et al., Fluid Phase Equilibria 52 (1989) 31-38.
3. M.L. Klein et al., J. Chem. Phys. 69 (1978) 63-66.
4. K. Honda et al., Bull. Chem. Soc. Jpn. 65 (1992) 3122-3134.
5. W.L. Jorgensen, J. Chem. Phys. 70 (1979) 5888-5897.
6. U. Rothlisberger, M. Parrinello, J. Chem. Phys. 106 (1997) 4658-4664.
7. M.L. Klein, I.R. McDonald, J. Chem. Phys. 71 (1979) 298-308.
8. M.E. Cournoyer, W.L. Jorgensen, Mol. Phys. 51 (1984) 119-132.
9. S. Murad et al., Chem. Phys. Lett. 131 (1986) 98-102.
10. P. Jedlovszky, R. Vallauri, J. Chem. Phys. 107 (1997) 10166-10176.
11. P. Jedlovszky, R. Vallauri, Mol. Phys. 92 (1997) 331-336.
12. A.E. Barton, B.J. Howard, Faraday Disc. Chem. Soc. 73 (1982) 45-62.
13. C. Zhang et al., J. Chem. Phys. 91 (1989) 2489-2497.
14. H. Sun et al., J. Chem. Phys. 96 (1992) 1810-1821.
15. M. Quack, M.A. Suhm, J. Chem. Phys. 95 (1991) 28-59.
16. M. Quack et al., J. Mol. Struct. 294 (1993) 33-36.
17. W. Jorgensen, J. Am. Chem. Soc. 100 (1978) 7824.
18. M. Alexander, A. DePristo, J. Chem. Phys. 65 (1976) 5009-5016.
19. D. Yarkony et al., J. Chem. Phys. 60 (1974) 855-865.
20. G. Maitland et al., Intermolecular Forces, Clarendon Press, New York, 1987.
21. M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Oxford, New York, 1994.
22. D.A. Kofke, J. Chem. Phys. 98 (1993) 4149-4162.
23. A.Z. Panagiotopoulos, Mol. Phys. 61 (1987) 813.
24. D. Visco Jr., D. Kofke, J. Chem. Phys. 109 (1998) 4015-4027.
25. V.I. Harismiadis et al., J. Chem. Phys. 105 (1996) 8469.
26. D.P. Visco Jr. et al., AIChE J. 43 (1997) 2381-2384.
27. D. Visco, Jr., D. Kofke, unpublished results, 1997.
28. D.P. Visco Jr. et al., Int. J. Thermophys. 19 (1998) 1111-1120.
29. A. Galindo et al., J. Phys. Chem. B 101 (1997) 2082-2091.
30. A. Gil-Villegas et al., J. Chem. Phys. 106 (1997) 4168-4186.
31. E.U. Franck, W. Spalthoff, Z. Electrochem. 61 (1957) 348-357.
32. I. Sheft et al., J. Inorg. Nucl. Chem. 35 (1973) 3677-3680.
33. J.H. Simons, J.W. Bouknight, J. Am. Chem. Soc. 54 (1932) 129-135.
34. C.P.C. Kao et al., Fluid Phase Equilibria 108 (1995) 27-46.
35. C.E. Vanderzee, W.W. Rodenberg, J. Chem. Thermodyn. 2 (1970) 461-478.
36. K. Fredenhagen, Z. Anorg. Allg. Chem. 218 (1934) 161-169.