Potential theory of adsorption for associating mixtures: Possibilities and limitations

Industrial and Engineering Chemistry Research

Volumn 52, Issue 7, 2013, Pages 2672-2684

  Bjørner, Martin G ^a   Shapiro, Alexander A ^a   Kontogeorgis, Georgios M ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED AMOUNT; ADSORPTION ENERGIES; ADSORPTION EQUILIBRIA; AVERAGE ABSOLUTE DEVIATION; CUBIC PLUS ASSOCIATIONS; EQUATION OF STATE; EXTERNAL POTENTIAL; FLUID-FLUID INTERACTION; MULTICOMPONENTS; NON-POLAR; POTENTIAL FUNCTION; POTENTIAL THEORY; SOLID-FLUID INTERACTIONS;

ADSORBATES; ADSORBENTS; BINARY MIXTURES; FORECASTING; MECHANICS; SILICA;

ADSORPTION;

EID: 84874040147     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie302144t     Document Type: Article

References (53)

1. Myers, A. L.; Prausnitz, J. M. Thermodynamics of mixed-gas adsorption AIChE J. 1965, 11, 121-127
2. Adamson, A. W.; Gast, A. P. Physical Chemistry of Surfaces, 6 th ed.; John Wiley & Sons: New York, 1997.
3. Henderson, D. Fundamentals of Inhomogeneous Fluids; Marcel Dekker: New York, 1992.
4. Rangarajan, B.; Lira, C. T.; Subramanian, R. Simplified local density model for adsorption over large pressure ranges AIChE J. 1995, 41, 838-845
5. Costa, E.; Sotelo, J. L.; Calleja, G.; Marrón, C. Adsorption of binary and ternary hydrocarbon gas mixtures on activated carbon: Experimental determination and theoretical prediction of the ternary equilibrium data AIChE J. 1981, 27, 5-12
6. Myers, A. L. Activity coefficients of mixtures adsorbed on heterogeneous surfaces AIChE J. 1983, 29, 691-693
7. Shapiro, A. A.; Stenby, E. H. Encyclopedia of Surface and Colloid Science; CRC Press: Boca Raton, FL, 2006; pp 4180-4189.
8. Shapiro, A. A.; Stenby, E. H. Potential Theory of Multicomponent Adsorption J. Colloid Interface Sci. 1998, 201, 146-157
9. Polanyi, M. Über die Adsorption vom Standpunkt des dritten Wärmesatzes. Verb. Dtsch. Phys. Ges. 1914, 16.
10. Polanyi, M. Adsorption von Gasen (Dämpfen) durch ein festes nichtflüchtiges Adsorberis. Verb. Dtsch. Phys. Ges. 1916, 18.
11. Monsalvo, M. A.; Shapiro, A. A. Modeling adsorption of binary and ternary mixtures on microporous media Fluid Phase Equilib. 2007, 254, 91-100
12. Monsalvo, M. A.; Shapiro, A. A. Study of high-pressure adsorption from supercritical fluids by the potential theory Fluid Phase Equilib. 2009, 283, 56-64
13. Soave, G. Equilibrium constants from a modified Redlich-Kwong equation of state Chem. Eng. Sci. 1972, 27, 1197-1203
14. Soave, G. S. An effective modification of the Benedict-Webb-Rubin equation of state Fluid Phase Equilib. 1999, 164, 157-172
15. Gross, J.; Sadowski, G. Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules Ind. Eng. Chem. Res. 2001, 40, 1244-1260
16. Kontogeorgis, G. M.; Voutsas, E. C.; Yakoumis, I. V.; Tassios, D. P. An Equation of State for Associating Fluids Ind. Eng. Chem. Res. 1996, 35, 4310-4318
17. Wertheim, M. S. Fluids with highly directional attractive forces. I. Statistical thermodynamics J. Stat. Phys. 1984, 35, 19-34
18. Wertheim, M. S. Fluids with highly directional attractive forces. II. Thermodynamic perturbation theory and integral equations J. Stat. Phys. 1984, 35, 35-47
19. Wertheim, M. S. Fluids with highly directional attractive forces. III. Multiple attraction sites J. Stat. Phys. 1986, 42, 459-476
20. Wertheim, M. S. Fluids with highly directional attractive forces. IV. Equilibrium polymerization J. Stat. Phys. 1986, 42, 477-492
21. Kontogeorgis, G.; Folas, G. Thermodynamic Models for Industrial Applications: From Classical and Advanced Mixing Rules to Association Theories; John Wiley & Sons: New York, 2010; Chapter 9, The Cubic-Plus-Association Equation of State.
22. Monsalvo, M. A.; Shapiro, A. A. Prediction of adsorption from liquid mixtures in microporous media by the potential theory Fluid Phase Equilib. 2007, 261, 292-299
23. Monsalvo, M. A.; Shapiro, A. A. Modeling adsorption of liquid mixtures on porous materials J. Colloid Interface Sci. 2009, 333, 310-316
24. Polanyi, M. The Potential Theory of Adsorption. Science 1963, 141.
25. Chen, J. H.; Wong, D. S. H.; Tan, C. S.; Subramanian, R.; Lira, C. T.; Orth, M. Adsorption and Desorption of Carbon Dioxide onto and from Activated Carbon at High Pressures Ind. Eng. Chem. Res. 1997, 36, 2808-2815
26. Michelsen, M. L. The isothermal flash problem. Part I. Stability Fluid Phase Equilib. 1982, 9, 1-19
27. Mitropoulos, A. C. What is a surface excess? J. Eng. Sci. Technol. Rev. 2008, 1, 1-3
28. Dubinin, M. M. Porous structure and adsorption properties of active carbons. Chem. Phys. Carbon 1966, 2.
29. Dubinin, M. M.; Astakhov, V. A. Development of theories on the volume filling of micropores during the adsorption of gases and vapors by microporous adsorbents. 1. Carbon adsorbents. Izv. Akad. Nauk SSSR, Ser. Khim. 1971, 1.
30. Hutson, N. D.; Yang, R. T. Theoretical basis for the Dubinin- Radushkevitch (D-R) adsorption isotherm equation Adsorption 1997, 3, 189-195
31. Walker, P. L. J.; Janov, J. Hydrophilic oxygen complexes on activated graphon J. Colloid Interface Sci. 1968, 28, 449-458
32. Steele, W. The Interaction of Gases with Solid Surfaces; International Encyclopedia of Physical Chemistry and Chemical Physics; Pergamon Press: New York, 1974; Vol. 3.
33. Siderius, D. W.; Gelb, L. D. Extension of the Steele 10-4-3 potential for adsorption calculations in cylindrical, spherical, and other pore geometries J. Chem. Phys. 2011, 135, 084703
34. Jackson, G.; Chapman, W. G.; Gubbins, K. E. Phase equilibria of associating fluids. Spherical molecules with multiple bonding sites Mol. Phys. 1988, 65, 1-31
35. Chapman, W. G.; Jackson, G.; Gubbins, K. E. Phase equilibria of associating fluids. Chain molecules with multiple bonding sites Mol. Phys. 1988, 65, 1057-1079
36. Chapman, W. G.; Gubbins, K. E.; Jackson, G.; Radosz, M. New reference equation of state for associating liquids Ind. Eng. Chem. Res. 1990, 29, 1709-1721
37. Yakoumis, I. V.; Kontogeorgis, G. M.; Voutsas, E. C.; Hendriks, E. M.; Tassios, D. P. Prediction of Phase Equilibria in Binary Aqueous Systems Containing Alkanes, Cycloalkanes, and Alkenes with the Cubic-plus-Association Equation of State Ind. Eng. Chem. Res. 1998, 37, 4175-4182
38. Kontogeorgis, G. M.; Yakoumis, I. V.; Meijer, H.; Hendriks, E.; Moorwood, T. Multicomponent phase equilibrium calculations for water-methanol-alkane mixtures Fluid Phase Equilib. 1999, 158-160, 201-209
39. Kontogeorgis, G. M.; Michelsen, M. L.; Folas, G. K.; Derawi, S.; von Solms, N.; Stenby, E. H. Ten Years with the CPA (Cubic-Plus-Association) Equation of State. Part 1. Pure Compounds and Self-Associating Systems Ind. Eng. Chem. Res. 2006, 45, 4855-4868
40. Yakoumis, I. V.; Kontogeorgis, G. M.; Voutsas, E. C.; Tassios, D. P. Vapor-liquid equilibria for alcoholhydrocarbon systems using the CPA Equation of state Fluid Phase Equilib. 1997, 130, 31-47
41. Voutsas, E. C.; Yakoumis, I. V.; Tassios, D. P. Prediction of phase equilibria in water/alcohol/alkane systems Fluid Phase Equilib. 1999, 158-160, 151-163
42. Derawi, S. O.; Kontogeorgis, G. M.; Michelsen, M. L.; Stenby, E. H. Extension of the Cubic-Plus-Association Equation of State to Glycol-Water Cross-Associating Systems Ind. Eng. Chem. Res. 2003, 42, 1470-1477
43. Huang, S. H.; Radosz, M. Equation of State for Small, Large, Polydisperse and Associating Molecules Ind. Eng. Chem. Res. 1990, 29, 2284-2294
44. Folas, G. K.; Kontogeorgis, G. M.; Michelsen, M. L.; Stenby, E. H. Application of the Cubic-Plus-Association Equation of State to Mixtures with Polar Chemicals and High Pressures Ind. Eng. Chem. Res. 2006, 45, 1516-1526
45. Folas, G. K.; Gabrielsen, J.; Michelsen, M. L.; Stenby, E. H.; Kontogeorgis, G. M. Application of the Cubic-Plus-Association (CPA) Equation of State to Cross-Associating Systems Ind. Eng. Chem. Res. 2005, 44, 3823-3833
46. Dundar, E.; Zacharia, R.; Chahine, R.; Bénard, P. Modified potential theory for modeling supercritical gas adsorption Int. J. Hydrogen Energy 2012, 37, 9137-9147
47. Konno, M.; Terabayashi, M.; Takako, Y.; Saito, S. Adsorption equilibria of hydrocarbon gaseous mixtures containing polar components J. Chem. Eng. Jpn. 1985, 18, 398-408
48. Takeuchi, Y.; lwamoto, H.; Miyata, N.; Asano, S.; Harada, M. Adsorption of 1-butanol and p -xylene vapor and their mixtures with high silica zeolites Sep. Technol. 1995, 5, 23-34
49. Perfetti, G. A.; Wightman, J. Adsorption of mixed vapors on solids. II. Cab-O-Sil J. Colloid Interface Sci. 1976, 55, 252-262
50. Wolf, H. E.; Schlünder, E. U. Adsorption equilibria of solvent mixtures on silica gel and silica gel coated ceramics Chem. Eng. Process. 1999, 38, 211-218
51. Perfetti, G. A.; Wightman, J. Adsorption from binary vapor mixtures onto Cab-O-Sil J. Colloid Interface Sci. 1974, 49, 313-317
52. Chen, S. G.; Yang, R. T. Theoretical Basis for the Potential Theory Adsorption Isotherms. The Dubinin-Radushkevich and Dubinin-Astakhov Equations Langmuir 1994, 10, 4244-4249
53. Zhao, X.; Johnson, J. K. An Effective Potential for Adsorption of Polar Molecules on Graphite Mol. Simul. 2005, 31, 1-10