Abstract
The thermodynamic behavior of complex pure fluids and mixtures is strongly affected by specific interactions like association (hydrogen bonding) and electrostatic interactions of permanent or induced dipoles. The modeling of those systems requires a physical model that is able to explicitly account for these specific interactions. This contribution describes the state of the art in modeling of complex fluids using analytical equations of state. Many applications demonstrate that those models can successfully be applied to describe and even to predict the phase behav ior of a whole variety of substances ranging from small gas molecules up to organic solvents and polymeric systems.
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References
Chapman WG, Gubbins KE, Jackson G,Radosz M (1989) Fluid Phase Equilibr 52:31
Chapman WG, Gubbins KE, Jackson G, Radosz M (1990) Ind Eng Chem Res 29:1709
Huang SH, Radosz M (1990) Ind Eng Chem Res 29:2284
Huang SH, Radosz M (1991) Ind Eng Chem Res 30:1994
Carnahan NF, Starling KE (1969) J Chem Phys 51:635
Alder BJ, Young DA, Marx MA (1972) J Chem Phys 56:3013
Chen SS, Kreglewski A (1977) Ber Bunsen Phys Chem 81:1048
Wertheim MS (1987) J Chem Phys 87:7323
Song YH, Lambert SM, Prausnitz JM (1994) 10. Ind Eng Chem Res 33:1047
Chang J, Sandler SI (1994) Mol Phys 81:745
Gil-Villegas A, Galindo A, Whitehead PJ, Mills SJ, Jackson G, Burgess AN (1997) J Chem Phys 106:4168
Hino T, Prausnitz JM (1997) Fluid Phase Equilib 138:105
Banaszak M, Chiew YC, Radosz M (1993) Phys Rev E 48:3760
Tavares FW, Chang J, Sandler SI (1997) Fluid Phase Equilibr 140:129
Chapman WG (1990) J Chem Phys 93:4299
Muller EA, Vega LF, Gubbins KE (1994) Mol Phys 83:1209
Blas FJ, Vega LF (1997) Mol Phys 92:135
Gross J, Sadowski G (2001) Ind Eng Chem Res 40:1244
Gross J, Sadowski G (2002) Ind Eng Chem Res 41:1084
Gross J, Sadowski G (2002) Ind Eng Chem Res 41:5510
Tumakaka F, Sadowski G (2004) Fluid Phase Equilib 217:233
Muller EA, Gubbins KE (2001) Ind Eng Chem Res 40:2193
Gubbins KE, Gray CG (1972) Mol Phys 23:187
Cotterman RL, Prausnitz JM (1986) AIChE J 32:1787
Cotterman RL, Prausnitz JM (1986) AIChE J 32:1799
Walsh JM, Jin G, Donohue MD (1991) Fluid Phase Equilibr 65:209
Kraska T, Gubbins KE (1996) Ind Eng Chem Res 35:4727
Kraska T, Gubbins KE (1996) Ind Eng Chem Res 35:4738
Xu K, Li Y, Liu W (1998) 142:55
Tang Y, Wang Z, Lu BY (2001) Mol Phys 99:65
Sear RP (1996) Phys Rev Lett 76:2310
Jog PK, Chapman WG (1999) Mol Phys 97:307
Gross J, Vrabec J (2006) AIChE J 52:1194
Saager B, Fischer J (1992) Fluid Phase Equilibr 72:67
Saager B, Fischer J, Neumann M (1991) Molec Simul 6:27
Kleiner M, Gross J (2006) AIChE J 52:1951
Wertheim M (1977) Mol Phys 34:1109
Wertheim M (1979) Mol Phys 37:83
Cameretti LF, Sadowski G, Mollerup JM (2005) Ind Eng Chem Res 44:3355
Cameretti LF, Sadowski G (2007) Chem Eng Proc 47:1018
Chapman WG, Jackson G, Gubbins KE (1988) Mol Phys 65:1057
Wertheim MS (1984) J Stat Phys 35:19
Wertheim MS (1984) J Stat Phys 35:35
Wertheim MS (1986) J Chem Phys 85:2929
Barker JA, Henderson D (1967) J Chem Phys 47:2856
Barker JA, Henderson D (1967) J Chem Phys 47:4714
Wolbach JP, Sandler IS (1998) Ind Eng Chem Res 37:2917
Shen SB, Wang YR, Shi J, Benson GC, Lu BCY (1990) J Chem Thermodyn 22:387
Mcglashan M, Morcom KW (1961) T Faraday Soc 57:581
Holleman T (1965) Physica 31:49
Wilding WV, Wilson LC, Wilson GM (1987) Fluid Phase Equilibr 36:67
Artal M, Embid JM, Marras G, Velasco I, Otin S (1995) J Chem Eng Data 40:1154
Akamatsu Y, Ogawa H, Murakami S (1987) Thermochim Acta 113:141
Kleiner M, Sadowski G (2007) J Phys Chem C 111:15544
Danov SM, Obmelyukhina TN, Chubarov GA, Balashov AL, Dolgopolov AA (1990) J Appl Chem USSR 63:566
Frolova EA, Ershova TP, Stepanova VA, Pavlov SY (1979) Osnov Organ Sintez i Neftekhimiya 11:90
Fu J, Wang K, Hu Y (1988) J Chem Ind Eng China 39:64
Lloyd BA, Thompson SO, Ferguson JB (1937) Can J Research 15B:98
Clausse D, Lambert JP, Guigon P, Boudehen-Boiveaut A (1988) Calorim Anal Therm 19: C21.1
Chubarov GA, Danov SM, Brovkina GV, Kupriyanov TV (1978) J Appl Chem USSR 51:434
Kleiner M, Tumakaka F, Sadowski G, Latz H, Buback M (2006) Fluid Phase Equilibr 241:113
Weltner W (1955) J Am Chem Soc 77:3941
Miyamoto S, Nakamura S, Iwai Y, Arai Y (2000) J Chem Eng Data 45:857
Laugier S, Richon D, Renon H (1990) Fluid Phase Equilibr 54:19
Kato M (1988) J Chem Eng Data 33:499
Fuchs D, Fischer J, Tumakaka F, Sadowski G (2006) Ind Eng Chem Res 45:6578
Manzo RH, Ahumada AA (1990) J Pharm Sci 79:1109
Granberg RA, Rasmuson AC (1999) J Chem Eng Data 44:1391
Granberg RA, Rasmuson AC (2000) J Chem Eng Data 45:478
Gupta RB, Heidemann RA (1990) AIChE J 36:333
Tumakaka F, Prikhodko IV, Sadowski G (2007) Fluid Phase Equilibr 260:98
Miller GA, Carpenter DK (1964) J Chem Eng Data 9:371
Ott JB, Goates JR, Waite BA (1979) J Chem Thermodyn 11:739
Kwok KS, Chan HC, Chan CK, Ng KM (2005) Ind Eng Chem Res 44:3788
Cheluget EL, Bokis CP, Wardhaugh L, Chen CC, Fisher J (2002) Ind Eng Chem Res. 41:968
Tumakaka F, Gross J, Sadowski G (2002) Fluid Phase Equilibr 194:541
Lindvig T, Michelsen ML, Kontogeorgis GM (2004) Ind Eng Chem Res 43:1125
Becker F, Buback M, Latz H, Sadowski G, Tumakaka F (2004) Fluid Phase Equilibr 215:263
Arce P, Aznar M (2005) Fluid Phase Equilibr 238:242
Dominik A, Chapman WG (2005) Macromolecules 38:10836
van Schilt MA, Wering RM, van Meerendonk WJ, Kemmere MF, Keurentjes JTF, Kleiner M, Sadowski G, de Loos TW (2005) Ind Eng Chem Res 44:3363
Hungenberg KD, Nieken U, Zollner K, Gao J, Szekely A (2005) Ind Eng Chem Res 44:2518
Spyriouni T, Economou IG (2005) Polymer 46:10772
Arce P, Mattedi S, Aznar M (2006) Fluid Phase Equilibr 246:52
Gross J, Spuhl O, Tumakaka F, Sadowski G (2003) Ind Eng Chem Res 42:1266
Hasch BM, Lee SH, McHugh MA (1996) J Appl Polym Sci 59:1107
Latz H (2004) Kinetische und thermodynamische Untersuchungen der Hochdruck-Copolymerisation von Ethen mit (Meth)Acrylsäureestern. Georg-August-Universität zu Göttingen, Göttingen
Tumakaka F, Sadowski G, Latz H, Buback M (2007) J Supercrit Fluid 41:461
Lora M, Rindfleisch F, McHugh MA (1999) J Appl Polym Sci 73:1979
Buback M, Latz H (2003) Macromol Chem Physic 204:638
Wind RW (1992) Untersuchungen zum Phasenverhalten von Mischungen aus Ethylen, Acrylsäure und Ethylen-Acrylsäure-Copolymeren unter hohem Druck. TH Darmstadt, Darmstadt
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Kleiner, M., Tumakaka, F., Sadowski, G. (2009). Thermodynamic Modeling of Complex Systems. In: Lu, X., Hu, Y. (eds) Molecular Thermodynamics of Complex Systems. Structure and Bonding, vol 131. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-69116-7_2
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DOI: https://doi.org/10.1007/978-3-540-69116-7_2
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