Simplified hard-sphere and hard-sphere chain equations of state for engineering applications

Chemical Engineering Communications

Volumn 193, Issue 10, 2006, Pages 1277-1293

  Nasrifar, Kh ^a,b   Bolland, O ^a  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

^b SHIRAZ UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Close packing; Compressibility factor; Correlation function; Hard sphere; Hard sphere chain

Indexed keywords

COMPRESSIBILITY; DIMERS; MATHEMATICAL MODELS; POLYNOMIALS; SPHERES;

CARNAHAN-STARLING EQUATION; CLOSE PACKING; CORRELATION FUNCTION; HARD-SPHERE CHAIN; SIMPLIFIED HARD-SPHERE;

EQUATIONS OF STATE;

COMPRESSIBILITY; DIMERS; EQUATIONS OF STATE; MATHEMATICAL MODELS; POLYNOMIALS; SPHERES;

EID: 33745298491     PISSN: 00986445     EISSN: 15635201     Source Type: Journal    
DOI: 10.1080/00986440500511262     Document Type: Article

References (55)

1. Adams, D. J. (1974). Chemical potential of hard sphere fluids by Monte Carlo methods, Mol. Phys., 28, 1241 [CSA]
2. Alder, B. J. and Wainwright, T. E. (1960). Studies in molecular dynamics. II Behavior of a small number of elastic spheres, J. Chem. Phys., 33, 1439 [CROSSREF] [CSA]
3. Baus, M. and Colot, J. L. (1987). Thermodynamics and structure of a fluid of hard rods, disks, spheres, or hyper spheres from rescaled virial expressions, Phys. Rev. A, 36, 3912 [INFOTRIEVE] [CROSSREF] [CSA]
4. Boublik, T. (1986). Equations of state of hard body fluids, Mol. Phys., 59, 371 [CROSSREF] [CSA]
5. Carnahan, N. F. and Starling, K. E. (1969). Equation of state for nonattracting rigid sphere, J. Chem. Phys., 51, 635 [CROSSREF] [CSA]
6. Chang, J. and Sandler, S. I. (1994). An equation of state for the hard-sphere chain fluid: Theory and Monte Carlo, Chem Eng. Sci., 49, 2777 [CROSSREF] [CSA]
7. Chapman, W. G., Jackson, G., and Gubbins, K. E. (1988). Phase equilibria of associating fluids. Chain molecules with multiple bonding sites, Mol. Phys., 65, 1057 [CROSSREF] [CSA]
8. Chapman, W. G., Gubbins, K. E., Jackson, G., and Radosz, M. (1989). SAFT: Equation of state solution model for associating fluids, Fluid Phase Equilib., 52, 31 [CROSSREF] [CSA]
9. Chen, X., Sato, Y., Takishima, S., and Masuoka, H. (2004). Chain reference system and scaling factor algorithm for perturbed hard-chain equation of state, Fluid Phase Equilib., 226, 129-139 [CROSSREF] [CSA]
10. Chiew, Y. C. (1991). Percus-Yevick integral equation theory for athermal hard sphere chains. II Average intermolecular correlation functions, Mol. Phys., 73, 359 [CROSSREF] [CSA]
11. Erpenbeck, J. J. and Wood, W. W. (1984). Molecular dynamics calculations of the hard-sphere equation of state, J. Stat. Phys., 35, 321 [CROSSREF] [CSA]
12. Escobedo, F. A. and de Pablo, J. J. (1995a). Extended continuum configurational bias Monte Carlo methods for simulation of flexible molecules, J. Chem. Phys., 102, 2636 [CROSSREF] [CSA]
13. Escobedo, F. A. and de Pablo, J. J. (1995b). Chemical potential and equations of state of hard core chain molecules, J. Chem. Phys., 103, 1946 [CROSSREF] [CSA]
14. Eu, B. C. and Ohr, Y. G. (2003). Thermodynamically consistent equation of state of hard sphere fluids, J. Chem. Phys., 118, 2264 [CROSSREF] [CSA]
15. Gao, J. and Weiner, J. H. (1989). Contribution of covalent bond force to pressure in polymer melts, J. Chem. Phys., 91, 3168 [CROSSREF] [CSA]
16. Ghotbi, C. and Vera, J. H. (2002). A general expression for the ordered-packed volume fraction of hard-spheres of different diameters, Ind. Eng. Chem. Res., 41, 1122 [CROSSREF] [CSA]
17. Guggenheim, E. A. (1965). Variations on van der Waal's equation of state for high densities, Mol. Phys., 9, 199 [CROSSREF] [CSA]
18. Heying, M. and Corti, D. S. (2004). Scaled particle theory revisited: new conditions and improved predictions of the properties of the hard sphere fluid, J. Phys. Chem. B, 108, 19756 [CROSSREF] [CSA]
19. Honnell, K. G. and Hall, C. K. (1989). A new equation of state for athermal chains, J. Chem. Phys., 90, 1841 [CROSSREF] [CSA]
20. Iglesias-Silva, G. A. and Hall, K. R. (1994). Accurate hard-body expressions for use as Zref, Fluid Phase Equilib., 98, 49 [CROSSREF] [CSA]
21. Khoshkbarchi, M. K. and Vera, J. H. (1997). A simplified hard-sphere equation of state meeting the high and low density limits, Fluid Phase Equilib., 130, 189 [CROSSREF] [CSA]
22. Kim, C.-H., Vimalchand, P., Donohue, M. D., and Sandler, S. I. (1986). Local composition model for chainlike molecules: A new simplified version of the perturbed hard chain theory, AIChE J., 32, 1726 [CROSSREF] [CSA]
23. Kim, I. H. and Bae, Y. C. (2000). Equations of state for hard-spheres and hard-sphere chains, Fluid Phase Equilib., 167, 187 [CROSSREF] [CSA]
24. Kolafa, J., Labík, S., and Malijevský, A. (2004). Accurate equation of state of the hard sphere fluid in stable and meta stable regions, Phys. Chem. Chem. Phys., 6, 2335 [CROSSREF] [CSA]
25. Kumar Singh, D. and Khanna, K. N. (2003). Virial coefficients from equation of state, J. Mol. Liq., 105, 1 [CROSSREF] [CSA]
26. Maeso, M. J., Solana, J. R., Amorós, J., and Villar, E. (1991). Equations of state for hard spheres fluid in the metastable fluid region, J. Chem. Phys., 94, 551 [CROSSREF] [CSA]
27. Malijevský, A. and Veverka, J. (1999). New equations of state for pure and binary hard-sphere fluids, Phys. Chem. Chem. Phys., 1, 4267 [CROSSREF] [CSA]
28. McQuarrie, D. A. (1976). Statistical Mechanics, 266, Harper & Row, New York, NY.
29. Miandehy, M. and Modarress, H. (2003). Equation of state for hard-spheres, J. Chem. Phys., 119, 2716 [CROSSREF] [CSA]
30. Mulero, A., Galán, C., and Cuardros, F. (2001). Equations of state for hard spheres: A review of accuracy and applications, Phys. Chem. Chem. Phys., 3, 4991 [CROSSREF] [CSA]
31. Nasrifar, Kh., Ayatollahi, Sh., and Moshfeghian, M. (2000). Improving the simplified-perturbed-hard-chain theory equation of state using a new non-attracting hard-sphere equation, Can J. Chem. Eng., 78, 1111 [CSA]
32. Paricaud, P., Galindo, A., and Jackson, G. (2002). Percent advances in the use of the SAFT approach in describing electrolytes, interfaces, liquid crystals and polymers, Fluid Phase Equilib., 194-197, 87 [CROSSREF] [CSA]
33. Polishuk, I. and Vera, J. H. (2005). About the relation between the empirical and theoretically based parts of van der Waals-like equations of state, J. Phys. Chem. B, 109, 5977 [CROSSREF] [CSA]
34. Ree, F. H. and Hoover, W. G. (1964). Fifth and sixth virial coefficients for hard spheres and disks, J. Chem. Phys., 40, 939 [CROSSREF] [CSA]
35. Reiss, H., Frisch, H. L., and Lebowitz, J. L. (1959). Statistical mechanics of rigid spheres, J. Chem. Phys., 31, 369 [CROSSREF] [CSA]
36. Sadus, R. J. (1999). Simple equation of state for hard sphere chains, AIChE J., 45, 2454 [CROSSREF] [CSA]
37. Sánchez, I. C. (1994). Virial coefficients and close-packing of hard spheres and disks, J. Chem. Phys., 101, 7003 [CROSSREF] [CSA]
38. Shah, V. M., Bienkowski, P. R., and Cochran, H. D. (1994). Generalized quartic equation of state for pure nonpolar fluids, AIChE J, 40, 152 [CROSSREF] [CSA]
39. Song, Y., Lambert, S. M., and Prausnitz, J. M. (1994). Equation of state for mixtures of hard-sphere chains including polymers, Macromolecule, 27, 441 [CROSSREF] [CSA]
40. Speedy, R. J. (1994). On the reproducibility of glasses, J. Chem. Phys., 100, 6684 [CROSSREF] [CSA]
41. Speedy, R. J. (1998). The hard sphere glass transition, Mol. Phys., 95, 169 [CROSSREF] [CSA]
42. Thiele, E. (1963). Equation of state for hard spheres, J. Chem. Phys., 39, 474 [CROSSREF] [CSA]
43. Tildesley, D. J. and Streett, W. B. (1980). An equation of state for hard dumbbell fluids, Mol. Phys., 41, 85 [CROSSREF] [CSA]
44. Tonks, L. (1936). The complete equation of state of one, two and three-dimensional gases of hard elastic spheres, Phys. Rev., 50, 955 [CROSSREF] [CSA]
45. Van Rensburg, E. J. J. (1993). Virial coefficients for hard disks and hard spheres, J. Phys. A., 26, 4805 [CROSSREF] [CSA]
46. Wang, W., Khoshkbarchi, M. K., and Vera, J. H. (1996). A new volume dependence for the equations of state of hard spheres, Fluid Phase Equilib., 115, 25 [CROSSREF] [CSA]
47. Wang, X. Z. (2002). Van der Waals-Tonks-type equations of state for hard-disk and hard-sphere fluids, Phys. Rev. E., 66, 031203 [CROSSREF] [CSA]
48. Wei, Y. S. and Sadus, R. J. (2000). Equations state for the calculation of the fluid phase equilibria, AIChE J., 46, 169 [CROSSREF] [CSA]
49. Wertheim, M. S. (1987). Thermodynamic perturbation theory of polymerization, J. Chem. Phys., 87, 7323 [CROSSREF] [CSA]
50. Williams, S. R., Snook, I. K., and van Megen, W. (2001). Molecular dynamics study of the stability of the hard sphere glass, Physical Review E, 64, 021506 [CROSSREF] [CSA]
51. Wu, G.-W. and Sadus, R. J. (2005). Hard sphere compressibility factors for equation of state development, AIChE J., 51, 309 [CROSSREF] [CSA]
52. Yelash, L. V., Kraska, T., and Deiters, U. K. (1999). A generic equation of state for the hard-sphere fluid incorporating the high density limit, J. Chem. Phys., 110, 3079 [CSA]
53. Yelash, L. V. and Kraska, T. (2001). Closed-loop critical curves in simple hard-sphere van der Waals-fluid models consistent with packing fraction limit, Phys. Chem. Chem. Phys., 3, 3114 [CSA]
54. Yeom, M. S., Chang, J., and Kim, H. (2002). Equation of state based on the thermodynamic perturbation theory of sequential polymerization for associating molecules and polymers, Fluid Phase Equilib., 194-197, 579-586 [CROSSREF] [CSA]
55. Yethiraj, A. and Hall, C. K. (1990). Local structure of fluids containing chain-like molecules: Polymer reference interaction site model with a Yukawa closure, J. Chem. Phys., 93, 5315 [CROSSREF] [CSA]