ISOBUTYRALDEHYDE(1) - n

ALUMNO: ROBLES LUNA JOEL

ISOTRMICO
242
429
Isobutyraldehyde(1)
n-hetane(2)
VP_A
-7.53679
-7.67468
VP_B
1.08548
1.37068
VP_C
-1.52929
-3.53616
VP_D
-8.48589
-2.70794
Pc
41.5
27.4
Tc
513
540.3
x
0.3798245614 0.41116047
PARAMETROS NRTL
A12
1444.5
A21
1423.1

0.03

x2

x1
0.001
0.05
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
0.55
0.6
0.65
0.7
0.75
0.8
0.85
0.9
0.95
0.999

Datos Experimentales
P, mmHg
P,Bar

45C
T=
R=
Pvp1=
Pvp2=

12= 0.5461043
21= 0.53801387
G12= 0.98375034
G21= 0.98398914

1
2
P
0.999 2.92441571 1.00000108 0.15482879
0.95 2.63901985 1.00269172 0.21461044
0.9 2.38918123 1.01081017 0.26350767
0.85 2.17466033 1.02448689 0.3027967
0.8 1.99007405 1.04394538 0.33456593
0.75 1.83097381 1.06950719 0.36047101
0.7 1.6936739 1.10160082 0.38182655
0.65 1.57511389 1.14077371 0.39967706
0.6 1.47274793 1.18770787 0.41485199
0.55 1.38445555 1.24323965 0.42800811
0.5 1.30846965 1.30838463 0.43966196
0.45 1.24331818 1.38436848 0.45021432
0.4 1.18777702 1.47266525 0.45996804
0.35 1.14083183 1.5750447 0.46914039
0.3 1.1016472 1.69363076 0.47787034
0.25 1.06954194 1.8309738 0.48622141
0.2 1.04396926 1.99014025 0.49417976
0.15 1.02450127 2.17482368 0.50164758
0.1
1.010817 2.38948305 0.50843095
0.05 1.00269354 2.63951516 0.51422132
0.001 1.00000108 2.92517144
0.5185

x1

y1

Isob
0.6
0.5
0.4

Isob
114.33
149.37
187.03
225.09
257.76
285.02
303.06
310.53
315.63
328.98
336.25
345.1
356.43
364.64
371.13
377.06
381.41
386.36
388.68
389.97

0.1524521952
0.1991759328
0.2493932832
0.3001440096
0.3437074944
0.3800570688
0.4041123264
0.4140731232
0.4208736672
0.4386750912
0.4483692
0.460170144
0.4752780192
0.4862255616
0.4948795872
0.5027868864
0.5085873504
0.5151878784
0.5182814592
0.5200015968

0
0.0348
0.0846
0.1583
0.242
0.3312
0.4073
0.4373
0.4669
0.5319
0.5843
0.6284
0.7043
0.7636
0.8167
0.8616
0.902
0.9562
0.9833
1

0
0.255
0.4292
0.5523
0.6344
0.6924
0.7266
0.7426
0.7499
0.7786
0.7938
0.8116
0.8404
0.8626
0.8842
0.9074
0.9301
0.9641
0.9839
1

0.6
0.5
0.4
P,bar 0.3
0.2
0.1
0
0

DEHYDE(1) - n-heptane(2)
ISOTRMICO
45C
318.15 K
8.314
0.51856909
0.15346558

Diagonal
xx
0
1

yy
0
1

y1
y2
y1+y2
0.00979476 0.99020524
0.3188368 0.6811632
0.47017818 0.52982182
0.55864792 0.44135208
0.61691333 0.38308667
0.65850401 0.34149599
0.69006747 0.30993253
0.71528219 0.28471781
0.73637979 0.26362021
0.7548248 0.2451752
0.77165183 0.22834817
0.78764822 0.21235178
0.80346163 0.19653837
0.81966954 0.18033046
0.83682978 0.16317022
0.85552289 0.14447711
0.87639395 0.12360605
0.90020068 0.09979932
0.92787548 0.07212452
0.9606128 0.0393872
0.99913421 0.00086579

1
1
1
1
1
1
1
1
1
1
1Y
1
1
1
1
1
1
1
1
1
1

Isobutyraldehyde(1)-n-heptane(2)
1.2
1
0.8
0.6
0.4
0.2
0
0

0.2

0.4

0.6
X

Isobutyraldehyde(1)-n-heptane(2)

NRTL

0.6
0.5
0.4

x vs P, exp
y vs P, exp

0.8

1.2

Isobutyraldehyde(1)-n-heptane(2)

NRTL

0.6
0.5
x vs P, exp

0.4

y vs P, exp

P,bar 0.3
0.2

x vs P
y vs P

0.1
0
0

0.2

0.4

0.6
x,y

0.8

1.2

e(1)-n-heptane(2) NRTL

0.6

x vs y
x vs y, exp
Diagonal

0.8

1.2

ISOBUTYRALDEHYD

Isobutyraldehyde(1)
n-heptane(2)
-7.53679
-7.67468
1.08548
1.37068
-1.52929
-3.53616
-8.48589
-2.70794
41.5
27.4
513
540.3
0.3798245614 0.4111604664
10

VP_A
VP_B
VP_C
VP_D
Pc
Tc
x
z=

Grupos funcionales
CH3(CH2)5CH3

CH3(2)

Isobutyraldehyde (CH3)2CHCHO

CH3(2)

n-Heptane

SUBGRUPO

k
1
2
3
4

CH3
CH2
CH
CHO

Rk
0.9011
0.6744
0.4469
0.998

Qk
0.848
0.54
0.228
0.948

PARAMETROS DE INTERACCION BINARIA ajk

j (SUBGRUPO)
CH3 (1)
CH2 (1)
CH (1)
CHO (10)

x1

CH3 (1)
0
0
0
2261

x2
0.001
0.05
0.1
0.15
0.2
0.25

0.999
0.95
0.9
0.85
0.8
0.75

k
CH2 (1)
0
0
0
2261

CH (1)
0
0
0
2261

0.0015925383
0.0773780416
0.1504210988
0.2194835365
0.2848821204
0.3469008749

0.998407462
0.922621958
0.849578901
0.780516463
0.71511788
0.653099125

0.7
0.65
0.6
0.55
0.5
0.45
0.4
0.35
0.3
0.25
0.2
0.15
0.1
0.05
0.001

0.3
0.35
0.4
0.45
0.5
0.55
0.6
0.65
0.7
0.75
0.8
0.85
0.9
0.95
0.999

0.4057952071
0.461795422
0.5151097328
0.5659268477
0.6144182015
0.6607398877
0.7050343374
0.7474317818
0.788051531
0.8270030954
0.8643871717
0.9002965118
0.9348166914
0.9680267909
0.9993722102

0.594204793
0.538204578
0.484890267
0.434073152
0.385581799
0.339260112
0.294965663
0.252568218
0.211948469
0.172996905
0.135612828
0.099703488
0.065183309
0.031973209
0.00062779

Datos Experimentales
P, mmHg

P,Bar
114.33
149.37
187.03
225.09
257.76
285.02
303.06
310.53
315.63
328.98
336.25
345.1
356.43
364.64
371.13
377.06
381.41
386.36
388.68
389.97

x1
0.1524521952
0.1991759328
0.2493932832
0.3001440096
0.3437074944
0.3800570688
0.4041123264
0.4140731232
0.4208736672
0.4386750912
0.4483692
0.460170144
0.4752780192
0.4862255616
0.4948795872
0.5027868864
0.5085873504
0.5151878784
0.5182814592
0.5200015968

y1
0
0.0348
0.0846
0.1583
0.242
0.3312
0.4073
0.4373
0.4669
0.5319
0.5843
0.6284
0.7043
0.7636
0.8167
0.8616
0.902
0.9562
0.9833
1

0
0.255
0.4292
0.5523
0.6344
0.6924
0.7266
0.7426
0.7499
0.7786
0.7938
0.8116
0.8404
0.8626
0.8842
0.9074
0.9301
0.9641
0.9839
1

UTYRALDEHYDE(1) - n-heptane(2)

ALUMNO: SNCHEZ OCH

ISOTRMICO
45C

T (K)=
R=
Pvp1=
Pvp2=

318.15
8.314
0.518569094
0.153465581

Parmetros calc
y CH2(5)
CH(1)
vk1
2
5
0
0

CHO(1)
vk2
2
0
1
1

CHO (10)
618.8
618.8
618.8
0

r1=

5.1742

r2=
q1=
q2=

3.2471
4.396
2.872
X11=
X21=
X31=
X41=

0.285714286
0.714285714
0
0

11=
21=
31=
41=

1
1
1
0.000819586

ln11=
ln21=
ln31=
ln41=

0
0
0
2.79107782

X2

lnC1

lnC2

X1

0.001529829
0.074553965
0.145351144
0.212668516
0.276756485
0.337841992

0.998470171
0.925446035
0.854648856
0.787331484
0.723243515
0.662158008

-0.109232558
-0.095498857
-0.082874349
-0.07153147
-0.061360291
-0.052262126

-1.47649E-007
-0.0003564243
-0.0013768281
-0.0029941025
-0.0051485396
-0.0077868899

0.499625281
0.481927711
0.465116279
0.449438202
0.434782609
0.421052632

0.001249063
0.060240964
0.11627907
0.168539326
0.217391304
0.263157895

0.396131203
0.451811828
0.505055147
0.556017764
0.604843148
0.651662983
0.696598352
0.739760783
0.781253174
0.82117061
0.859601095
0.896626194
0.932321614
0.96675772
0.999346452

0.603868797
0.548188172
0.494944853
0.443982236
0.395156852
0.348337017
0.303401648
0.260239217
0.218746826
0.17882939
0.140398905
0.103373806
0.067678386
0.03324228
0.000653548

-0.044148175
-0.036938354
-0.030560281
-0.024948401
-0.020043227
-0.015790678
-0.012141498
-0.009050747
-0.006477361
-0.004383755
-0.002735475
-0.001500896
-0.000650947
-0.000158869
-6.2091E-008

-0.0108615578
-0.014329911
-0.0181536868
-0.0222984788
-0.0267332928
-0.0314301608
-0.036363805
-0.0415113439
-0.0468520354
-0.0523670507
-0.058039276
-0.0638531369
-0.0697944436
-0.0758502535
-0.0818846447

0.408163265
0.396039604
0.384615385
0.373831776
0.363636364
0.353982301
0.344827586
0.336134454
0.327868852
0.32
0.3125
0.305343511
0.298507463
0.291970803
0.285836787

0.306122449
0.346534653
0.384615385
0.420560748
0.454545455
0.486725664
0.517241379
0.546218487
0.573770492
0.6
0.625
0.648854962
0.671641791
0.693430657
0.713877376

MNO: SNCHEZ OCHOA JORGE LUIS

Parmetros calculados
L1=

-0.2832

L2=

-0.3716

X12=
X22=
X32=
X42=

0.5
0
0.25
0.25

11=
21=
31=
41=

0.385805278
0.614194722
0
0

12=
22=
32=
42=

12=
22=
32=
42=

1
1
1
0.000819586

13=
23=
33=
43=

1
1
1
0.000819586

14=
24=
34=
44=

ln12=
ln22=
ln32=
ln42=

0.24572998
0.156479
0.06606891
1.02167801

X3

X4
0.249562828
0.228915663
0.209302326
0.191011236
0.173913043
0.157894737

0.249562828
0.228915663
0.209302326
0.191011236
0.173913043
0.157894737

Diagonal
x
0
1

y
0
1

O1

O2

O3

0.590216055
0.575266264
0.560772385
0.546990905
0.533870562
0.521364894

0.000939613
0.045790652
0.089273906
0.13061988
0.169982372
0.207500769

0.0792657378
0.0734685571
0.0678481682
0.0625040315
0.0574162679
0.0525668614

0.142857143
0.128712871
0.115384615
0.102803738
0.090909091
0.079646018
0.068965517
0.058823529
0.049180328
0.04
0.03125
0.022900763
0.014925373
0.00729927
0.000142918

0.142857143
0.128712871
0.115384615
0.102803738
0.090909091
0.079646018
0.068965517
0.058823529
0.049180328
0.04
0.03125
0.022900763
0.014925373
0.00729927
0.000142918

0.509431695
0.498032537
0.487132353
0.476699084
0.466703357
0.457118215
0.447918868
0.439082483
0.430587996
0.42241594
0.414548299
0.406968374
0.399660665
0.392610769
0.385939074

0.243301694
0.0479394449
0.27750044
0.0435191167
0.310202206
0.0392922794
0.341503176
0.0352465006
0.371491469
0.0313703908
0.400247965
0.0276534958
0.427847031
0.0240862033
0.454357169
0.0206596593
0.479841576
0.0173656951
0.504358655
0.0141967621
0.527962456
0.0111458741
0.550703076
0.0082065556
0.572627015
0.0053727967
0.59377749
0.0026390111
0.613793317 5.18833190E-005

0.590529248
0
0.079387187
0.330083565
0.14298801
0.14298801
0.14298801
1

O4
0.329578594
0.305474527
0.282105542
0.259885184
0.238730798
0.218567476

ln1
0.2451393359
0.2176127295
0.1921507818
0.1690393247
0.1480265788
0.1289033615

ln2
0.156102879
0.1385741438
0.1223601677
0.1076429662
0.0942622082
0.0820846877

ln3
0.0659101045
0.0585090829
0.0516631819
0.0454492524
0.039799599
0.0346579793

ln4
1.023019635
1.089178263
1.157622093
1.22714924
1.297907951
1.370056616

0.199327166
0.180947906
0.163373162
0.14655124
0.130434783
0.114980325
0.100147898
0.085900689
0.072204732
0.059028643
0.046343371
0.034121995
0.022339523
0.01097273
0.000215725

0.1114952141
0.0956564047
0.08126533
0.0682209812
0.0564402396
0.0458558342
0.0364148441
0.0280776684
0.0208174135
0.014619677
0.0094827293
0.0054181199
0.0024517652
0.0006256099
0.000000256

0.0709993108
0.0299774868
0.0609132766
0.025718939
0.0517491488
0.0218496406
0.0434426059
0.0183424336
0.0359407186
0.0151749701
0.0292006491
0.012329163
0.0231886979
0.0097907836
0.0178796473
0.0075491844
0.0132563718
0.0055971348
0.0093097
0.0039307622
0.0060385305
0.0025496017
0.0034502178
0.0014567586
0.0015612656
0.000659201
0.0003983836
0.0001682064
0.000000163 6.88191460E-008

1.443765624
1.51921947
1.596619187
1.676185175
1.758160522
1.842814914
1.930449319
2.021401589
2.11605325
2.214837778
2.318250779
2.426862606
2.541334152
2.662436787
2.788424477

lnR1

lnR2

1.270793067
1.128096178
0.996102402
0.87629348
0.767364199
0.668230162

1.53144E-006
0.0037059251
0.0143799586
0.0314702619
0.0545538273
0.0833144384

ln1
1.161560509
1.032597321
0.913228053
0.80476201
0.706003908
0.615968036

ln2
1.38379E-006
0.0033495008
0.0130031306
0.0284761594
0.0494052877
0.0755275485

1
3.194915082
2.808350557
2.492355016
2.236164251
2.025879461
1.851448001

2
1.00000138
1.00335512
1.01308804
1.02888548
1.05064608
1.07845294

0.577986982
0.495879193
0.421276404
0.353654992
0.292584072
0.237714914
0.188773178
0.145553573
0.107916686
0.075787854
0.049158111
0.028087329
0.012709858
0.003243138
1.32688E-006

0.1175266593
0.1570443384
0.2017926073
0.2517626915
0.3070090909
0.3676488656
0.4338629113
0.5058992307
0.5840783316
0.6688010141
0.7605589592
0.8599487249
0.9676900031
1.0846493328
1.2092181779

0.533838807
0.458940838
0.390716123
0.328706591
0.272540845
0.221924236
0.17663168
0.136502826
0.101439325
0.071404099
0.046422636
0.026586433
0.012058911
0.003084269
1.26479E-006

0.1066651016
0.1427144274
0.1836389205
0.2294642128
0.2802757981
0.3362187048
0.3974991063
0.4643878868
0.5372262962
0.6164339634
0.7025196832
0.796095588
0.8978955595
1.0087990793
1.1273335332

1.705466716
1.582397083
1.478038873
1.389170201
1.313297099
1.248476784
1.193191536
1.146258117
1.106762763
1.074015147
1.047517036
1.026943005
1.012131913
1.00308903
1.000001265

1.1125616
1.15340038
1.20158188
1.25792585
1.32349478
1.3996451
1.48809846
1.59103999
1.71125376
1.85231084
2.01883312
2.21686844
2.45443247
2.74230574
3.08741303

P,bar
0.15496911
0.21909764
0.26917256
0.30815458
0.3391021
0.36415498

y1
0.01069106
0.33234584
0.48015975
0.56445972
0.61961189
0.65913125

y2
0.98930894
0.66765416
0.51984025
0.43554028
0.38038811
0.34086875

y1+y2
1
1
1
1
1
1

0.38483864
0.4022585
0.41722699
0.43034791
0.44207309
0.45274062
0.46260011
0.47182858
0.48053864
0.48877979
0.49653225
0.50369172
0.51004139
0.5152049
0.51852499

0.68943363
0.71397815
0.7348185
0.75327735
0.77027453
0.7865029
0.80253191
0.81887605
0.83604739
0.85460428
0.87520593
0.89868416
0.92614895
0.95915707
0.99908623

0.31056637
0.28602185
0.2651815
0.24672265
0.22972547
0.2134971
0.19746809
0.18112395
0.16395261
0.14539572
0.12479407
0.10131584
0.07385105
0.04084293
0.00091377

1
1
1
1
1
1
1
1
1
1
1
1
1
1
1

1
0.9
0.8
0.7
0.6

0.5
0.4
0.3
0.2
0.1
0
0

0.1

0.2

Isobutyraldehyde(1)-n-Heptane(2)
UNIFAC ( X vs Y )
X vs Y (CALCULADO)

0.2

0.3

0.4

DIAGONAL

0.5

X vs Y (EXP)

0.6

0.7

Y (EXP)

0.7

0.8

0.9

DIAGONAL
X

Y
0 0.15252195
1 0.5200016
0.6

0.5

0.4

P (Bar)

0.3

0.2

0.1

0
0

0.1

Isobutyraldehyde(1)-n-Heptane(2
UNIFAC (X Y vs P)
X vs P (CALC)

Y vs P (CALC)

X vs P (EXP)

Y vs P (EXP)

0
0

0.1

0.2

0.3

0.4

0.5

XY

0.6

(1)-n-Heptane(2)
(X Y vs P)

X vs P (EXP)

0.5

XY

Y vs P (EXP)

0.6

DIAGONAL

0.7

0.8

0.9