A hybrid perturbed-chain SAFT density functional theory for representing fluid behavior in nanopores: Mixtures

Journal of Chemical Physics

Volumn 139, Issue 19, 2013, Pages

  Shen, Gulou ^a,b   Ji, Xiaoyan ^a   Öberg, Sven ^a   Lu, Xiaohua ^b  

^a LULEÅ UNIVERSITY OF TECHNOLOGY   (Sweden)

^b NANJING TECH UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHAIN CONNECTIVITY; FUNDAMENTAL MEASURE THEORIES; MIXED-GAS ADSORPTIONS; MOLECULAR SIMULATIONS; PERTURBED-CHAIN SAFT; PERTURBED-CHAIN STATISTICAL ASSOCIATING FLUID THEORIES; STATISTICAL ASSOCIATING FLUID THEORY; WEIGHTED DENSITY APPROXIMATION;

ACTIVATED CARBON; ADSORPTION ISOTHERMS; CARBON DIOXIDE; CHAINS; DENSITY FUNCTIONAL THEORY; FORECASTING; FREE ENERGY; GAS ADSORPTION; METHANE; NANOPORES;

MIXTURES;

EID: 84903362047     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4825078     Document Type: Article

References (33)

1. T. Koga, N. Jiang, P. Gin, M. K. Endoh, S. Narayanan, L. B. Lurio, and S. K. Sinha, Phys. Rev. Lett. 107, 225901 (2011). 10.1103/PhysRevLett.107.225901
2. P. T. Cummings, H. Docherty, C. R. Iacovella, and J. K. Singh, AIChE J. 56, 842-848 (2010). 10.1002/aic.12226
3. J. T. Eijkel and A. Berg, Microfluid. Nanofluid. 1, 249-267 (2005). 10.1007/s10404-004-0012-9
4. C. P. Emborsky, Z. Feng, K. R. Cox, and W. G. Chapman, Fluid Phase Equilib. 306, 15-30 (2011). 10.1016/j.fluid.2011.02.007
5. E. Kierlik and M. L. Rosinberg, J. Chem. Phys. 100, 1716-1730 (1994). 10.1063/1.466599
6. S. Tripathi and W. G. Chapman, Phys. Rev. Lett. 94, 087801 (2005). 10.1103/PhysRevLett.94.087801
7. S. Tripathi and W. G. Chapman, J. Chem. Phys. 122, 094506 (2005). 10.1063/1.1853371
8. Y. X. Yu, G. H. Gao, and X. L. Wang, J. Phys. Chem. B 110, 14418-14425 (2006). 10.1021/jp060986k
9. M. Borowko, A. Patrykiejew, W. Rzysko, S. Sokolowski, and J. Ilnytskyi, J. Chem. Phys. 134, 044705 (2011). 10.1063/1.3530791
10. Y. X. Yu and J. Z. Wu, J. Chem. Phys. 117, 2368-2376 (2002). 10.1063/1.1491240
11. Y. X. Yu and J. Z. Wu, J. Chem. Phys. 116, 7094-7103 (2002). 10.1063/1.1463435
12. J. Gross, J. Chem. Phys. 131, 204705 (2009). 10.1063/1.3263124
13. A. L. Frischknecht, V. Padmanabhan, and M. E. Mackay, J. Chem. Phys. 136, 164904 (2012). 10.1063/1.4705308
14. X. F. Xu, D. E. Cristancho, S. Costeux, and Z. G. Wang, J. Chem. Phys. 137, 054902 (2012). 10.1063/1.4742346
15. J. Hu, J. Chen, and J. Mi, Ind. Eng. Chem. Res. 51, 1236-1243 (2012). 10.1021/ie201783v
16. F. Llovell, A. Galindo, F. J. Blas, and G. Jackson, J. Chem. Phys. 133, 024704 (2010). 10.1063/1.3449143
17. M. B. Oliveira, M. Domínguez-Pérez, M. G. Freire, F. Llovell, O. Cabeza, J. A. Lopes-da-Silva, L. F. Vega, and J. A. P. Coutinho, J. Phys. Chem. B 116, 12133-12141 (2012). 10.1021/jp3059905
18. G. L. Shen, X. Y. Ji, and X. H. Lu, J. Chem. Phys. 138, 224706 (2013). 10.1063/1.4808160
19. J. Gross and G. Sadowski, Fluid Phase Equilib. 168, 183-199 (2000). 10.1016/S0378-3812(00)00302-2
20. J. Gross and G. Sadowski, Ind. Eng. Chem. Res. 40, 1244-1260 (2001). 10.1021/ie0003887
21. Y. X. Yu and J. Z. Wu, J. Chem. Phys. 117, 10156-10164 (2002). 10.1063/1.1520530
22. Z. C. Ye, J. Cai, H. L. Liu, and Y. Hu, J. Chem. Phys. 123, 194902 (2005). 10.1063/1.2117009
23. B. Peng and Y. X. Yu, Langmuir 24, 12431-12439 (2008). 10.1021/la8024099
24. B. Peng and Y.-X. Yu, J. Phys. Chem. B 112, 15407-15416 (2008). 10.1021/jp805697p
25. Y. X. Yu, J. Chem. Phys. 131, 024704 (2009). 10.1063/1.3174928
26. L. L. Lee, J. Chem. Phys. 135, 204706 (2011). 10.1063/1.3663221
27. A. Yethiraj and C. K. Hall, J. Chem. Phys. 91, 4827-4837 (1989). 10.1063/1.456721
28. S. Zhang, J. Cai, H. Liu, and Y. Hu, Mol. Simul. 30, 143-147 (2004). 10.1080/0892702031000152154
29. S. A. Mohammad, A. Arumugam, R. L. Robinson, and K. A. M. Gasem, Energy Fuels 26, 536-548 (2012). 10.1021/ef201393p
30. M. Sudibandriyo, Z. Pan, J. E. Fitzgerald, R. L. Robinson, and K. A. M. Gasem, Langmuir 19, 5323-5331 (2003). 10.1021/la020976k
31. C. Lastoskie, K. E. Gubbins, and N. Quirke, J. Phys. Chem. 97, 4786-4796 (1993). 10.1021/j100120a035
32. W. A. Steele, Surf. Sci. 36, 317-352 (1973). 10.1016/0039-6028(73)90264-1
33. M. A. Monsalvo and A. A. Shapiro, Fluid Phase Equilib. 283, 56-64 (2009). 10.1016/j.fluid.2009.05.015