Korean Journal of Chemical Engineering, Vol.31, No.3, 374-380, 2014
Supplementary graphical analysis for the multi-density expansion of associating fluids
We present a detailed analysis of Wertheim’s multi-density formulation for the thermodynamic properties of associating fluids with a single attraction site. Graphical expressions are explicitly illustrated for the partition function, multi-densities and direct correlation functions, and they are compared with those from the classical singledensity formulation of simple fluids. The steric incompatibility among three monomers greatly simplifies cluster integrals of associating fluids, which allows dimerizing association only. Graphical expressions for the pressure and the Helmholtz energy are derived by using functional derivatives, which provide a theoretical base for TPT and SAFT equations of state.
[References]
Wertheim MS, J. Stat. Phys. , 35 , 19, 1984
Wertheim MS, J. Stat. Phys. , 35 , 35, 1984
Wertheim MS, J. Stat. Phys. , 42 , 459, 1986
Wertheim MS, J. Stat. Phys. , 42 , 477, 1986
Wertheim MS, J. Chem. Phys. , 87 , 7323, 1987
Chapman WG, Jackson G, Gubbins KE, Mol. Phys. , 65 , 1057, 1988
Jackson G, Chapman WG, Gubbins KE, Mol. Phys. , 65 , 1, 1988
Chapman WG, Gubbins KE, Jackson G, Radosz M, Fluid Phase Equilib. , 52 , 31, 1989
Chapman WG, Gubbins KE, Jackson G, Radosz M, Ind. Eng. Chem. Res. , 29 , 1709, 1990
Huang SH, Radosz M, Ind. Eng. Chem. Res. , 29 , 2284, 1990
Huang SH, Radosz M, Ind. Eng. Chem. Res. , 30 , 1994, 1991
Gilvillegas A, Galindo A, Whitehead PJ, Mills SJ, Jackson G, Burgess AN, J. Chem. Phys. , 106 (10), 4168, 1997
Blas FJ, Vega LF, Ind. Eng. Chem. Res. , 37 (2), 660, 1998
Tavares FW, Chang J, Sandler SI, Fluid Phase Equilib. , 140 (1-2), 129, 1997
Paredes MLL, Nobrega R, Tavares FW, Fluid Phase Equilib. , 179 (1-2), 231, 2001
Yeom MS, Chang J, Kim H, Korean J. Chem. Eng. , 17 (1), 52, 2000
Gross J, Sadowski G, Ind. Eng. Chem. Res. , 40 (4), 1244, 2001
Gross J, Sadowski G, Ind. Eng. Chem. Res. , 41 (22), 5510, 2002
Muller EA, Gubbins KE, Ind. Eng. Chem. Res. , 40 (10), 2193, 2001
Economou IG, Ind. Eng. Chem. Res. , 41 (5), 953, 2002
Tan SP, Adidharma H, Radosz M, Ind. Eng. Chem. Res. , 47 (21), 8063, 2008
Wertheim MS, J. Chem. Phys. , 85 , 2929, 1986
Holovko MF, Kalyuzhnyi YV, Mol. Phys. , 73 , 1145, 1991
Kalyuzhnyi YV, Holovko MF, Haymet ADJ, J. Chem. Phys. , 95 , 9151, 1991
Kalyuzhnyi YV, Stell G, Llanorestrepo ML, Chapman WG, Holovko MF, J. Chem. Phys. , 101 (9), 7939, 1994
Kim S, Chang J, Kim H, Mol. Phys. , 99 , 1033, 2001
Chang JE, Sandler SI, J. Chem. Phys. , 102 (1), 437, 1995
Chang J, Sandler SI, J. Chem. Phys. , 103 (8), 3196, 1995
Kalyuzhnyi YV, Cummings PT, J. Chem. Phys. , 103 (8), 3265, 1995
Kalyuzhnyi YV, Lin CT, Stell G, J. Chem. Phys. , 106 (5), 1940, 1997
Lin CT, Kalyuzhnyi YV, Stell G, J. Chem. Phys. , 108 (15), 6513, 1998
Kalyuzhnyi YV, Lin CT, Stell G, J. Chem. Phys. , 108 (15), 6525, 1998
Stell G, Lin CT, Kalyuzhnyi YV, J. Chem. Phys. , 110 (11), 5444, 1999
Chang J, Kim H, J. Chem. Phys. , 109 (6), 2579, 1998
Chang J, Kim H, Mol. Phys. , 96 , 1789, 1999
Protsykevytch IA, Kalyuzhnyi YV, Holovko MF, Blum L, J. Mol. Liq., 73-4, 1, 1997
Kalyuzhnyi YV, Mol. Phys. , 94 , 735, 1998
Kalyuzhnyi YV, Lin CT, Stell G, Yethiraj A, J. Mol. Liq. , 92 , 85, 2001
Kalyuzhnyi YV, McCabe C, Whitebay E, Cummings PT, J. Chem. Phys. , 121 (16), 8128, 2004
Kalyuzhnyi YV, Docherty H, Cummings PT, J. Chem. Phys., 133, 044502, 2010
Kalyuzhnyi YV, Hlushak SP, Cummings PT, J. Chem. Phys., 137, 244910, 2012
Kim HM, Schultz AJ, Kofke DA, J. Phys. Chem. B , 114 (35), 11515, 2010
Kim HM, Schultz AJ, Kofke DA, J. Phys. Chem. B , 116 (48), 14078, 2012
Chang J, Sandler SI, Chem. Eng. Sci. , 49 (17), 2777, 1994
Tavares FW, Chang J, Sandler SI, Mol. Phys. , 86 , 1451, 1995
Stell G, Lin CT, Kalyuzhnyi YV, J. Chem. Phys. , 110 (11), 5458, 1999
Ghonasgi D, Chapman WG, J. Chem. Phys. , 100 (9), 6633, 1994
Yeom MS, Chang J, Kim H, Fluid Phase Equilib. , 173 (2), 177, 2000
Hansen JP, McDonald I, Theory of Simple Liquids 3rd Ed., Elsevier, USA, 2006
Stell G, Cluster expansions for classical systems in equilibrium, pp.171-266, in The Equilibrium Theory of Classical Fluids, Frisch HL, Lebowitz JL Eds., Benjamin, New York, 1964
이전 논문 다음 논문
Result Search