Experimental Data

T (K) T (K) T (K)

283 303 323
P (bar) q (kmol/kg) P (bar) q (kmol/kg) P (bar) q (kmol/kg)
0.0816 0.000669 0.086 0.000509 0.122 0.000454
0.173 0.001247 0.209 0.000946 0.219 0.000707
0.262 0.001626 0.291 0.001206 0.306 0.000898
0.486 0.00181 0.492 0.001462 0.494 0.001125
0.679 0.001921 0.711 0.001611 0.712 0.001286
0.858 0.001993 0.923 0.001721 0.922 0.001402
1.352 0.002106 1.454 0.001846 1.45 0.001569
2.769 0.00224 2.911 0.002014 2.934 0.001793
4.79 0.002324 4.914 0.002121 4.907 0.001951
6.816 0.00237 6.922 0.00218 6.926 0.001993
8.326 0.002373 8.445 0.002201 8.451 0.002013
9.296 0.002377 9.442 0.002223 9.476 0.002025

Experimental Data - Mofarahi 2013 - DOI 10.1007/s10450-012-9423-1

T (K) T (K) T (K)
283 303 323
P (kPa) q (mmol/g) P (kPa) q (mmol/g) P (kPa) q (mmol/g)
8.16 0.669 8.6 0.509 12.2 0.454
17.3 1.247 20.9 0.946 21.9 0.707
26.2 1.626 29.1 1.206 30.6 0.898
48.6 1.81 49.2 1.462 49.4 1.125
67.9 1.921 71.1 1.611 71.2 1.286
85.8 1.993 92.3 1.721 92.2 1.402
135.2 2.106 145.4 1.846 145 1.569
276.9 2.24 291.1 2.014 293.4 0.00251.793
479 2.324 491.4 2.121 490.7 1.951
681.6 2.37 692.2 2.18 692.6 1.993
832.6 2.373 844.5 2.201 845.1 2.013
929.6 2.377 944.2 2.223 947.6 2.025
0.002
Loading (kmol/kg)

0.0015

0.001
 Loading
0.001

0.0005

0
0 1 2

0.0025

0.002
Loading (kmol/kg)

0.0015

0.001

0.0005
0.0005

0
0 2 4 6
Pressure (bar)
perimental Data T (K)
T (K) T (K) T (K) 283
283 303 323 1/qm
P (bar) P/q P (bar) P/q P (bar) P/q 412.670
0.0816 121.97309 0.086 168.95874 0.122 268.72247
0.173 138.73296 0.209 220.93023 0.219 309.75955
0.262 161.13161 0.291 241.29353 0.306 340.75724 T
0.486 268.50829 0.492 336.52531 0.494 439.11111 283
0.679 353.46174 0.711 441.34078 0.712 553.65474 303
0.858 430.50677 0.923 536.3161 0.922 657.63195 323
1.352 641.97531 1.454 787.64897 1.45 924.15551
2.769 1236.1607 2.911 1445.3823 2.934 1636.3636
4.79 2061.1015 4.914 2316.8317 4.907 2515.1205 T
6.816 2875.9494 6.922 3175.2294 6.926 3475.1631 283
8.326 3508.6389 8.445 3836.8923 8.451 4198.2116 303
9.296 3910.8119 9.442 4247.4134 9.476 4679.5062 323

Exp at 283 °C
Exp at 303 °C
Exp at 323 °C
Linear - 283 °C
Linear - 303 °C
Linear - 323 °C
Nonlinear (Excel)
Nonlinear (Excel)
Nonlinear (Excel)
 Linear - 303 °C
Linear - 323 °C
Nonlinear (Excel)
Nonlinear (Excel)
Nonlinear (Excel)
Nonlinear (ADSIM
Nonlinear (ADSIM
Nonlinear (ADSIM
1 2 3 4 5 6 7 8

Pressure (bar)

Exp at 283 °C
Exp at 303 °C
Exp at 323 °C
Linear - 283 °C
Linear - 303 °C
Linear - 323 °C
Nonlinear (Excel) -
Nonlinear (Excel) -
Nonlinear (Excel) -
 Nonlinear (Excel) -
Nonlinear (Excel) -
Nonlinear (ADSIM
6 8 10 Nonlinear (ADSIM
sure (bar) Nonlinear (ADSIM
 T (K) T (K)
283 303
1/qm*KL qm KL 1/qm 1/qm*KL qm KL
74.900 0.002 5.510 438.487 134.871 0.002 3.251

KL LN(KL) 1/T Linear

5.510 1.706 0.004 IP2 * -1 IP1 IP2
3.251 1.179 0.003 -7.53E-06 4.56E-03 7.53E-06
2.174 0.777 0.003
Nonlinear (Excel)
IP1 IP2 IP3
qm 4.07E-03 6.02E-06 9.31E-04
0.0024232
0.0022806 Nonlinear (ADSIM)
0.0021221 IP1 IP2 IP3
4.54E-03 7.55E-06 2.02E-03

q_m=IP_1 −IP_2×T

K_L=IP_3×exp⁡((IP_4)/
T)⇒LN(K_L )=LN(IP3)+
(IP_4)/T

p/q=1/(q_m K_L )+p/q_m

linear form

p at 283 °C
p at 303 °C non-linear form
p at 323 °C
near - 283 °C
near - 303 °C
near - 323 °C Linear
nlinear (Excel) - 283 °C
nlinear (Excel) - 303 °C
nlinear (Excel) - 323 °C
near - 303 °C
near - 323 °C
nlinear (Excel) - 283 °C IP1 IP2
0.004556177198293 7.527588E-06
nlinear (Excel) - 303 °C
nlinear (Excel) - 323 °C IP1
Nonlinear (Excel)
IP2
nlinear (ADSIM) - 283 °C 4.07E-03 6.02E-06

nlinear (ADSIM) - 303 °C Nonlinear (Aspen Adosrption)

nlinear (ADSIM) - 323 °C IP1
4.54E-03
IP2
7.55E-06
7 8 9 10

3 °C
3 °C
3 °C
83 °C
03 °C
23 °C
(Excel) - 283 °C
(Excel) - 303 °C
(Excel) - 323 °C
(Excel) - 303 °C
(Excel) - 323 °C
(ADSIM) - 283 °C
(ADSIM) - 303 °C
(ADSIM) - 323 °C
 T (K) Linear Model (Excel)
323 T (K) T (K)
1/qm 1/qm*KL qm KL 283 303
471.223 216.758 0.002 2.174 P (bar) q (kmol/kg) P (bar)
0 0 0
0.0816 0.00074725 0.086
Linear 0.173 0.00117785 0.209
IP3 IP4 LN(IP3) 0.262 0.00142729 0.291
2.96E-03 2.13E+03 -5.82E+00 0.486 0.00176149 0.492
0.679 0.00191019 0.711
nlinear (Excel) 0.858 0.00199883 0.923
IP4 1.352 0.00213624 1.454
2.50E+03 2.769 0.00227525 2.911
4.79 0.00233646 4.914
inear (ADSIM) 6.816 0.00236234 6.922
IP4 8.326 0.00237361 8.445
2.27E+03 9.296 0.00237896 9.442

−IP_2×T
ARD (%)
T (K) T (K) T (K)
283 303 323
ARD (%) ARD (%) ARD (%)

×exp⁡((IP_4)/
11.6968 0.69775765 2.76581

L )=LN(IP3)+
5.54504 1.4603167 3.80685
12.2211 7.28153823 6.11817
2.68027 3.45893238 2.73194
0.56282 0.78502316 0.07023
0.29271 0.31421827 0.72812
1.43575 2.10899689 2.52718
1.57367 2.38372001 2.28513

_m K_L )+p/q_m
0.53603 1.08132906 0.52437
form 0.32327 0.02105041 0.09882
0.0258 0.1827758 0.04492
0.08245 0.81000399 0.01653
AARD (%) 3.35393 1.79778714 1.97287

non-linear form

Linear
 IP3 IP4 LN(IP3)
0.0029557693 2128.3293

onlinear (Excel)
IP3 IP4
9.31E-04 2502.4149

ar (Aspen Adosrption)
IP3 IP4
2.02E-03 2.27E+03
Linear Model (Excel) Nonlinear Model (Excel)
T (K) T (K) T (K) T (K)
303 323 283 303
q (kmol/kg) P (bar) q (kmol/kg) P (bar) q (kmol/kg) P (bar) q (kmol/kg)
0 0 0 0 0 0 0
0.00050545 0.122 0.00044144 0.0816 8.15E-04 0.086 5.30E-04
0.00093219 0.219 0.00068009 0.173 1.25E-03 0.209 9.63E-04
0.00111818 0.306 0.00084306 0.262 1.48E-03 0.291 1.15E-03
0.00141143 0.494 0.00109427 0.486 1.79E-03 0.492 1.43E-03
0.00159835 0.712 0.0012851 0.679 1.92E-03 0.711 1.61E-03
0.00171559 0.922 0.00141221 0.858 2.00E-03 0.923 1.72E-03
0.00188493 1.45 0.00160865 1.352 2.12E-03 1.454 1.88E-03
0.00206201 2.934 0.00183397 2.769 2.24E-03 2.911 2.05E-03
0.00214393 4.907 0.00194077 4.79 2.29E-03 4.914 2.12E-03
0.00218046 6.926 0.00199103 6.816 2.31E-03 6.922 2.16E-03
0.00219698 8.451 0.0020139 8.326 2.32E-03 8.445 2.17E-03
0.00220499 9.476 0.00202533 9.296 2.33E-03 9.442 2.18E-03

ARD (%)
T (K) T (K) T (K)
283 303 323
ARD (%) ARD (%) ARD (%) ARD (%)
21.8016 4.11831438 2.58608
0.04585 1.77134765 3.66024
8.67491 4.86184727 5.99586
0.98295 1.94215235 2.63839
0.18775 0.12775221 2E-05
0.46742 0.20001127 0.78156
0.71284 2.0454674 2.55428
0.04552 1.70837138 2.28096
1.45182 0.13761907 0.54282
2.45473 1.03444738 0.12415
2.18316 1.29094632 0.01646
2.16097 1.9376287 0.01347
AARD (%) 3.54624 1.74893424 1.92553
SUM AARD 7.22069939847909
odel (Excel) Nonlinear Model (ADSIM)
T (K) T (K) T (K) T (K)
323 283 303 323
P (bar) q (kmol/kg) P (bar) q (mmol/g) P (bar) q (mmol/g) P (bar)
0 0 0 0 0 0 0
0.122 4.42E-04 0.0816 7.98E-04 0.086 5.32E-04 0.122
0.219 6.81E-04 0.173 1.23E-03 0.209 9.66E-04 0.219
0.306 8.44E-04 0.262 1.48E-03 0.291 1.15E-03 0.306
0.494 1.10E-03 0.486 1.80E-03 0.492 1.44E-03 0.494
0.712 1.29E-03 0.679 1.94E-03 0.711 1.62E-03 0.712
0.922 1.41E-03 0.858 2.02E-03 0.923 1.73E-03 0.922
1.45 1.61E-03 1.352 2.15E-03 1.454 1.89E-03 1.45
2.934 1.83E-03 2.769 2.27E-03 2.911 2.06E-03 2.934
4.907 1.94E-03 4.79 2.33E-03 4.914 2.13E-03 4.907
6.926 1.99E-03 6.816 2.35E-03 6.922 2.17E-03 6.926
8.451 2.01E-03 8.326 2.36E-03 8.445 2.18E-03 8.451
9.476 2.02E-03 9.296 2.36E-03 9.442 2.19E-03 9.476

ARD (%)
T (K) T (K) T (K)
283 303 323
ARD (%) ARD (%) ARD (%)
19.3529 4.43923045 0.03846698667
1.03622 2.12846392 1.57774956236
9.05679 4.51067708 4.30261829774
0.65679 1.55249743 1.42036674348
0.84398 0.54337795 0.83727912731
1.31845 0.62696254 1.34960978253
1.86288 2.49634721 2.70182340332
1.39044 2.17431474 1.94031496138
0.09073 0.60384278 1.09720379953
0.87502 0.5703994 0.78595086944
0.57599 0.82662352 0.69408951522
0.54251 1.47563607 0.74767112191
AARD (%) 3.36911 1.86115791 1.52231573173
T (K)
323
q (mmol/g)
0
4.54E-04
6.96E-04
8.59E-04
1.11E-03
1.30E-03
1.42E-03
1.61E-03
1.83E-03
1.93E-03
1.98E-03
2.00E-03
2.01E-03
 T (K) T (K) T (K)
q q
283 303 323 DH
P (bar) P (bar) P (bar)
0.000025 0.001892 0.0034092 0.0054835 0.000025
0.00005 0.0038239 0.0068947 0.0110994 0.00005
0.000075 0.0057969 0.0104593 0.0168524 0.000075
0.0001 0.0078124 0.0141057 0.0227477 0.0001
 T (K) T (K) T (K)
283 303 323
LnP (bar) LnP (bar) LnP (bar) d(lnP)/d(1/T) Δhads (kJ/mol) * -1
-6.270111 -5.68129 -5.206004 -2433.898131 20.2354290607576
-5.566485 -4.976997 -4.500864 -2437.3429973 20.2640696793714 1/T1
-5.15043 -4.560261 -4.083261 -2440.866545 20.2933644552137 0.0035336
-4.852045 -4.261179 -3.783292 -2444.4715053 20.3233360952259

Average 20.2790498226422
 Units = K R [J/mol/K]
T1 283 8.314
T2 303
T3 323 P bar (T1) P bar (T2) P bar (T3)
0.173 0.209 0.219
1/T2 1/T3 0.262 0.291 0.306
0.0033003 0.0030959752 0.486 0.492 0.494
0.679 0.711 0.712
0.858 0.923 0.922
1.352 1.454 1.45
2.769 2.911 2.934
4.79 4.914 4.907
6.816 6.922 6.926
8.326 8.445 8.451
9.296 9.442 9.476
0 0 0
P kPa (T1)P kPa (T2)P kPa (T3) lnP (T1) lnP (T2) lnP (T3)
17.3 20.9 21.9 2.8507065 3.0397492 3.08648663682
26.2 29.1 30.6 3.2657594 3.3707382 3.42100000896
48.6 49.2 49.4 3.8836235 3.8958936 3.89995042419
67.9 71.1 71.2 4.218036 4.2640873 4.26549281842
85.8 92.3 92.2 4.452019 4.5250441 4.52396013056
135.2 145.4 145 4.9067552 4.9794886 4.97673374242
276.9 291.1 293.4 5.6236564 5.6736669 5.68153686571
479 491.4 490.7 6.1717006 6.1972585 6.1958329431
681.6 692.2 692.6 6.524443 6.5398749 6.54045263197
832.6 844.5 845.1 6.7245533 6.7387447 6.73945496355
929.6 944.2 947.6 6.8347544 6.850338 6.85393247228
0 0 0 Err:502 Err:502 Err:502
 d(lnP)/d(1/T) Δhads (kJ/mol) ΔHads Std Error
-545.1740100289 -4.5325767193804 1.3358234973358
-356.9924053106 -2.9680348577525 0.468700514548
-37.66888269024 -0.3131790906867 0.07520714752843
-110.5336927347 -0.9189771213965 0.43753816796914
-167.8840450838 -1.3957879508267 0.7310391462716
-163.4749309354 -1.3591305757966 0.74693953265873
-134.193748657 -1.1156868263346 0.4038802319938
-56.42262137004 -0.4690976740705 0.26760798521727
-37.27839971515 -0.3099326152317 0.14542157362398
-34.68104084781 -0.2883381736087 0.13172056402596
-44.36462627639 -0.3688475028619 0.11302007979311
Err:502 Err:502 Err:502