Online Resouce 1.

This section contains the fitted parameters of modeling different adsorption systems.

Tables

Table 3. Adjusted parameters of MPTA model using CPA+DRA.

System / (kJ/mol) / (cm3/kgads) / Temperature (K) / Reference
Benzene/CycloHexane
AC / 3.97 / 241.76 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
CB / 0.07 / 874.00 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/Ethanol
AC / 3.86 / 319.36 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/ 2-Propanol
(N-950) / 4.43 / 349.34 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1500) / 3.80 / 330.79 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1800) / 4.25 / 202.46 / 293.15 K / (Świątkowski et al. 2004)
Benzene/
Ethyl Acetate
AC / 4.21 / 170.48 / 303.15 K / (Monsalvo,Shapiro 2009)
Acetone/Benzene
(SiO2-200) / 4.00 / 120.78 / 298 K / (Goworek,Nieradka 1996)
Acetone/Benzene
(SiO2-800) / 3.01 / 825.46 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-200) / 2.90 / 247.05 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-800) / 2.94 / 174.59 / 298 K / (Goworek,Nieradka 1996)
Benzene/CycloHexane
SG / 4.82 / 297.97 / 273.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 5.39 / 281.97 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 5.31 / 257.17 / 333.15 K / (Monsalvo,Shapiro 2009)
n-Octane/Ethanol
(SBA-15) / 5.18 / 334.64 / 298 K / (Kalies et al. 2010)
n-Octane/Ethanol
(SBA-16) / 4.96 / 331.94 / 298 K / (Rockmann,Kalies 2007)

Table 4. Adjusted parameters of MPTA model using CPA+Steele.

System / As(m2/g) / H0(nm) / / Temperature (K) / Reference
Benzene/CycloHexane
AC / 459.84 / 1.28 / 27.48 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
CB / 22.11 / 29.96 / 30.75 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/Ethanol
AC / 334.09 / 25.39 / 31.26 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/ 2-Propanol
(N-950) / 422.07 / 1.58 / 30.66 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1500) / 268.58 / 2.28 / 33.79 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1800) / 211.86 / 1.55 / 33.22 / 293.15 K / (Świątkowski et al. 2004)
Benzene/
Ethyl Acetate
AC / 334.09 / 25.39 / 31.26 / 303.15 K / (Monsalvo,Shapiro 2009)
Acetone/Benzene
(SiO2-200) / 105.62 / 7.85 / 102.47 / 298 K / (Goworek,Nieradka 1996)
Acetone/Benzene
(SiO2-800) / 58.55 / 6.45 / 102.09 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-200) / 217.45 / 38.54 / 96.22 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-800) / 159.00 / 22.74 / 92.63 / 298 K / (Goworek,Nieradka 1996)
Benzene/CycloHexane
SG / 659.67 / 1.18 / 48.28 / 273.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 313.99 / 1.77 / 79.58 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 288.30 / 1.76 / 78.71 / 333.15 K / (Monsalvo,Shapiro 2009)

Table 5. Adjusted parameters of MPTA model using SRK+DRA.

System / (kJ/mol) / (cm3/kgads) / Temperature (K) / Reference
Benzene/CycloHexane
AC / 7.58 / 226.41 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
CB / 3.16 / 28.81 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/Ethanol
AC / 5.80 / 410.83 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/ 2-Propanol
(N-950) / 4.19 / 603.13 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1500) / 4.26 / 523.19 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1800) / 4.38 / 350.90 / 293.15 K / (Świątkowski et al. 2004)
Benzene/
Ethyl Acetate
AC / 4.75 / 171.99 / 303.15 K / (Monsalvo,Shapiro 2009)
Acetone/Benzene
(SiO2-200) / 6.33 / 193.16 / 298 K / (Goworek,Nieradka 1996)
Acetone/Benzene
(SiO2-800) / 6.57 / 110.89 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-200) / 3.95 / 1058.09 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-800) / 4.12 / 703.14 / 298 K / (Goworek,Nieradka 1996)
Benzene/CycloHexane
SG / 7.55 / 266.11 / 273.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 6.30 / 279.93 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 6.67 / 255.63 / 333.15 K / (Monsalvo,Shapiro 2009)
n-Octane/Ethanol
(SBA-15) / 4.50 / 423.89 / 298 K / (Kalies et al. 2010)
n-Octane/Ethanol
(SBA-16) / 6.24 / 459.02 / 298 K / (Rockmann,Kalies 2007)

Table 6. Adjusted parameters of MPTA model using SRK+Steele.

System / As(m2/g) / H0(nm) / / Temperature (K) / Reference
Benzene/CycloHexane
AC / 220.79 / 17.05 / 60.93 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
CB / 22.32 / 27.45 / 28.20 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/Ethanol
AC / 391.63 / 4.68 / 35.50 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/ 2-Propanol
(N-950) / 435.30 / 1.88 / 42.00 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1500) / 420.95 / 2.40 / 42.63 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1800) / 370.74 / 2.18 / 31.76 / 293.15 K / (Świątkowski et al. 2004)
Benzene/
Ethyl Acetate
AC / 263.88 / 1.39 / 26.99 / 303.15 K / (Monsalvo,Shapiro 2009)
Acetone/Benzene
(SiO2-200) / 783.40 / 0.96 / 76.69 / 298 K / (Goworek,Nieradka 1996)
Acetone/Benzene
(SiO2-800) / 426.48 / 0.92 / 64.90 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-200) / 390.98 / 2.37 / 178.19 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-800) / 267.21 / 2.54 / 175.49 / 298 K / (Goworek,Nieradka 1996)
Benzene/CycloHexane
SG / 336.02 / 1.99 / 85.82 / 273.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 285.36 / 21. 71 / 148.45 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 364.18 / 1.45 / 88.95 / 333.15 K / (Monsalvo,Shapiro 2009)

Table 7. Adjusted parameters of MPTA model using PR+DRA.

System / (kJ/mol) / (cm3/kgads) / Temperature (K) / Reference
Benzene/CycloHexane
AC / 4.29 / 243.23 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
CB / 3.03 / 28.07 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/Ethanol
AC / 4.13 / 465.29 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/ 2-Propanol
(N-950) / 3.91 / 564.26 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1500) / 3.99 / 484.69 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1800) / 4.11 / 341.32 / 293.15 K / (Świątkowski et al. 2004)
Benzene/
Ethyl Acetate
AC / 4.42 / 166.97 / 303.15 K / (Monsalvo,Shapiro 2009)
Acetone/Benzene
(SiO2-200) / 5.98 / 173.13 / 298 K / (Goworek,Nieradka 1996)
Acetone/Benzene
(SiO2-800) / 6.18 / 100.00 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-200) / 6.11 / 308.80 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-800) / 5.55 / 243.89 / 298 K / (Goworek,Nieradka 1996)
Benzene/CycloHexane
SG / 5.20 / 297.97 / 273.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 5.93 / 256.07 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 6.26 / 235.63 / 333.15 K / (Monsalvo,Shapiro 2009)
n-Octane/Ethanol
(SBA-15) / 5.35 / 385.27 / 298 K / (Kalies et al. 2010)
n-Octane/Ethanol
(SBA-16) / 5.36 / 367.53 / 298 K / (Rockmann,Kalies 2007)

Table 8. Adjusted parameters of MPTA model using PR+Steele.

System / As(m2/g) / H0(nm) / / Temperature (K) / Reference
Benzene/CycloHexane
AC / 365.10 / 1.38 / 21.92 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
CB / 23.04 / 3.43 / 25.68 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/Ethanol
AC / 386.93 / 4.27 / 34.45 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/ 2-Propanol
(N-950) / 827.77 / 1.10 / 21.86 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1500) / 985.25 / 1.07 / 19.50 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1800) / 418.34 / 1.11 / 22.74 / 293.15 K / (Świątkowski et al. 2004)
Benzene/
Ethyl Acetate
AC / 602.45 / 0.86 / 15.62 / 303.15 K / (Monsalvo,Shapiro 2009)
Acetone/Benzene
(SiO2-200) / 266.89 / 1.43 / 103.27 / 298 K / (Goworek,Nieradka 1996)
Acetone/Benzene
(SiO2-800) / 176.82 / 1.27 / 108.54 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-200) / 425.30 / 1.86 / 116.36 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-800) / 298.07 / 1.65 / 115.46 / 298 K / (Goworek,Nieradka 1996)
Benzene/CycloHexane
SG / 702.74 / 1.05 / 49.81 / 273.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 334.86 / 1.54 / 78.18 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 222.35 / 2.56 / 110.01 / 333.15 K / (Monsalvo,Shapiro 2009)

Table 9. Adjusted parameters of MPTA model using VT-SRK+DRA.

System / (kJ/mol) / (cm3/kgads) / Temperature (K) / Reference
Benzene/CycloHexane
AC / 4.58 / 228.65 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
CB / 3.10 / 28.03 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/Ethanol
AC / 3.97 / 490.91 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/ 2-Propanol
(N-950) / 4.08 / 555.87 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1500) / 4.09 / 493.59 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1800) / 4.20 / 344.01 / 293.15 K / (Świątkowski et al. 2004)
Benzene/
Ethyl Acetate
AC / 4.66 / 166.97 / 303.15 K / (Monsalvo,Shapiro 2009)
Acetone/Benzene
(SiO2-200) / 6.34 / 150.59 / 298 K / (Goworek,Nieradka 1996)
Acetone/Benzene
(SiO2-800) / 6.61 / 82.13 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-200) / 5.64 / 279.83 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-800) / 5.76 / 205.51 / 298 K / (Goworek,Nieradka 1996)
Benzene/CycloHexane
SG / 5.45 / 279.91 / 273.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 6.11 / 247.99 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 6.61 / 226.06 / 333.15 K / (Monsalvo,Shapiro 2009)
n-Octane/Ethanol
(SBA-15) / 6.07 / 333.83 / 298 K / (Kalies et al. 2010)
n-Octane/Ethanol
(SBA-16) / 6.03 / 315.95 / 298 K / (Rockmann,Kalies 2007)

Table 10. Adjusted parameters of MPTA model using VT-SRK+Steele.

System / As(m2/g) / H0(nm) / / Temperature (K) / Reference
Benzene/CycloHexane
AC / 184.29 / 19.90 / 36.34 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
CB / 21.55 / 27.17 / 22.17 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/Ethanol
AC / 372.93 / 4.92 / 32.88 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/ 2-Propanol
(N-950) / 516.34 / 1.53 / 35.24 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1500) / 362.36 / 5.33 / 32.20 / 293.15 K / (Świątkowski et al. 2004)
Benzene/ 2-Propanol
(N-1800) / 331.21 / 1.31 / 37.68 / 293.15 K / (Świątkowski et al. 2004)
Benzene/
Ethyl Acetate
AC / 143.09 / 25.36 / 33.59 / 303.15 K / (Monsalvo,Shapiro 2009)
Acetone/Benzene
(SiO2-200) / 154.11 / 2.47 / 101.24 / 298 K / (Goworek,Nieradka 1996)
Acetone/Benzene
(SiO2-800) / 111.73 / 1.45 / 102.04 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-200) / 496.81 / 1.46 / 100.28 / 298 K / (Goworek,Nieradka 1996)
Acetone/n-Heptane
(SiO2-800) / 293.04 / 1.54 / 98.63 / 298 K / (Goworek,Nieradka 1996)
Benzene/CycloHexane
SG / 315.82 / 1.94 / 77.62 / 273.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 231.38 / 4.90 / 93.83 / 303.15 K / (Monsalvo,Shapiro 2009)
Benzene/CycloHexane
SG / 324.49 / 1.66 / 88.21 / 333.15 K / (Monsalvo,Shapiro 2009)

Reference

Goworek, J., Nieradka, A.: Adsorption from Ternary Liquid Mixtures on Partially Dehydroxylated Silica Gel. Journal of Colloid and Interface Science 180(2), 371-376 (1996). doi:

Kalies, G., Rockmann, R., Tuma, D., Gapke, J.: Ordered mesoporous solids as model substances for liquid adsorption. Applied Surface Science 256(17), 5395-5398 (2010). doi:

Monsalvo, M.A., Shapiro, A.A.: Modeling adsorption of liquid mixtures on porous materials. Journal of Colloid and Interface Science 333(1), 310-316 (2009). doi:

Rockmann, R., Kalies, G.: Liquid adsorption of n-octane/octanol/ethanol on SBA-16 silica. Journal of Colloid and Interface Science 315(1), 1-7 (2007). doi:

Świątkowski, A., Deryło-Marczewska, A., Goworek, J., Błażewicz, S.: Study of adsorption from binary liquid mixtures on thermally treated activated carbon. Applied Surface Science 236(1–4), 313-320 (2004). doi: