Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: Effects of steric hindrance and ring formation

Journal of Chemical Physics

Volumn 140, Issue 16, 2014, Pages

  Marshall, Bennett D ^a   Haghmoradi, Amin ^a   Chapman, Walter G ^a  

^a Rice University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EQUATIONS OF STATE; MONTE CARLO METHODS;

ASSOCIATING FLUIDS; ASSOCIATION SITES; EQUATION OF STATE; INTERNAL ENERGIES; RING FORMATION; STERIC HINDRANCES; SYSTEM ENERGY; THERMODYNAMIC PERTURBATION THEORY;

CHEMICAL REACTIONS;

EID: 84899822437     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4871307     Document Type: Article

References (21)

1. M. Wertheim, J. Stat. Phys. 35 (1), 19-34 (1984). 10.1007/BF01017362
2. M. Wertheim, J. Stat. Phys. 35 (1), 35-47 (1984). 10.1007/BF01017363
3. M. Wertheim, J. Stat. Phys. 42 (3), 459-476 (1986). 10.1007/BF01127721
4. M. Wertheim, J. Stat. Phys. 42 (3), 477-492 (1986). 10.1007/BF01127722
5. M. Wertheim, J. Chem. Phys. 87, 7323 (1987). 10.1063/1.453326
6. W. G. Chapman, G. Jackson, and K. E. Gubbins, Mol. Phys. 65 (5), 1057-1079 (1988). 10.1080/00268978800101601
7. B. D. Marshall and W. G. Chapman, Phys. Rev. E 87 (5), 052307 (2013). 10.1103/PhysRevE.87.052307
8. B. D. Marshall and W. G. Chapman, J. Chem. Phys. 139 (5), 054902 (2013). 10.1063/1.4816665
9. L. Rincón, R. Almeida, D. García-Aldea, and H. D. y Riega, J. Chem. Phys. 114, 5552 (2001). 10.1063/1.1351878
10. S. J. Barlow, G. V. Bondarenko, Y. E. Gorbaty, T. Yamaguchi, and M. Poliakoff, J. Phys. Chem. A 106 (43), 10452-10460 (2002). 10.1021/jp0135095
11. H. Guo and M. Karplus, J. Phys. Chem. 98 (29), 7104-7105 (1994). 10.1021/j100080a002
12. B. D. Marshall and W. G. Chapman, J. Chem. Phys. 139 (21), 214106 (2013). 10.1063/1.4834637
13. R. P. Sear and G. Jackson, J. Chem. Phys. 105 (3), 1113 (1996). 10.1063/1.471955
14. W. Bol, Mol. Phys. 45, 605 (1982). 10.1080/00268978200100461
15. G. Jackson, W. G. Chapman and K. E. Gubbins, Mol. Phys. 65 (1), 1-31 (1988). 10.1080/00268978800100821
16. N. Kern and D. Frenkel, J. Chem. Phys. 118, 9882 (2003). 10.1063/1.1569473
17. W. G. Chapman, Ph.D. Thesis, Cornell University, Ithaca, 1988.
18. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, 2001).
19. Y. Kalyuzhnyi, H. Docherty, and P. Cummings, J. Chem. Phys. 133, 044502 (2010). 10.1063/1.3459098
20. B. D. Marshall, D. Ballal, and W. G. Chapman, J. Chem. Phys. 137 (10), 104909 (2012). 10.1063/1.4751480
21. A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev. 88 (6), 899-926 (1988). 10.1021/cr00088a005