Name:______________________________________________

Exercise 5.1
Obtain by regression the NRTL parameter for water/ethanol mixture in Example 4.1, using
the experimental data reported or others. Answer the follow questions:
a) Result of the regression: include the parameters obtained, values and deviation
(some cells could be extra)

Figure 1 Evaluation Result of Regression

Experimental
368,65
362,65
359,85
358,45
357,25
355,85
355,45
354,65
353,85
352,95
352,85
352,45
351,89
351,39
351,3

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15

Exp Val
TEMP

Est Val
TEMP

Exp Val
PRES

N/sqm

Regressed
368,243755
361,324895
359,631903
358,28547
356,861641
355,472209
355,078078
354,313532
353,683516
352,840753
352,759519
352,415355
351,856051
351,568105
351,30116

Exp Val
MASSFR
AC X
ETHANO
L

Exp Val
MASSFR
AC X
WATER

Std. Dev.
0,1
0,1
0,1
0,1
0,1
0,1
0,1
0,1
0,1
0,1
0,1
0,1
0,1
0,1
0,1

Exp Val
MASSFR
AC Y
ETHANOL

Difference
-0,406245072
-1,32510481
-0,218096621
-0,164530158
-0,388359391
-0,377791456
-0,371922009
-0,336467939
-0,166484318
-0,109246543
-0,0904812789
-0,0346449414
-0,0339486187
0,178105344
0,00116009909

Est Val
MASSFR
AC Y
ETHANOL

Exp Val
MASSFR
AC Y
WATER

%Difference
-0,110198039
-0,365394956
-0,0606076479
-0,0459004487
-0,108708017
-0,106165928
-0,104634128
-0,0948732382
-0,0470494045
-0,0309524132
-0,0256429868
-0,00982974646
-0,00964750881
0,0506859455
0,000330230314

Est Val
MASSFR
AC Y
WATER

Exp Val
MASSFR
AC Y-X
ETHANOL

Exp Val
MASSF
RAC YX
WATER

368,65

368,24

101325

0,0472

0,9528

0,3437 0,3568498

0,6563 0,6431502

0,2965

-0,2965

362,65

361,32

101325

0,1657

0,8343

0,6196

0,3804

0,376847

0,4539

-0,4539

359,85

359,63

101325

0,2147

0,7853

0,6654 0,6680429

0,3346 0,3319571

0,4507

-0,4507

358,45

358,29

101325

0,2654

0,7346

0,6943 0,7004572

0,3057 0,2995428

0,4289

-0,4289

357,25

356,86

101325

0,3374

0,6626

0,726 0,7325409

0,274 0,2674591

0,3886

-0,3886

355,85

355,47

101325

0,4381

0,5619

0,7535 0,7630258

0,2465 0,2369742

0,3154

-0,3154

355,45

355,08

101325

0,4743

0,5257

0,7635 0,7718572

0,2365 0,2281428

0,2892

-0,2892

354,65

354,31

101325

0,5544

0,4456

0,7811 0,7898592

0,2189 0,2101408

0,2267

-0,2267

353,85

353,68

101325

0,6269

0,3731

0,8014 0,8063309

0,1986 0,1936691

0,1745

-0,1745

352,95

352,84

101325

0,7252

0,2748

0,8301 0,8329071

0,1699 0,1670929

0,1049

-0,1049

352,85

352,76

101325

0,7346

0,2654

0,8322 0,8358963

0,1678 0,1641037

0,0976

-0,0976

352,45

352,42

101325

0,7745

0,2255

0,847 0,8498195

0,153 0,1501805

0,0725

-0,0725

351,89

351,86

101325

0,8423

0,1577

0,8784 0,8794244

0,1216 0,1205756

0,0361

-0,0361

351,39

351,57

101325

0,8831

0,1169

0,9014 0,9021417

0,0986 0,0978583

0,0183

-0,0183

351,3

351,3

101325

0,9558

0,0442

0,9558 0,9558476

0,0442 0,0441523

0,623153

b) Compare quantitatively the results of NRTL (with parameters built in Aspen)

and NRTL with the new parameters.

Ans. I dont understand the difference between the two values of NRTL i.e. NRTL (with
parameters built in Aspen) and NRTL with the new parameters.
c) Does NRTL improve with the new parameters?
Ans. The NRTL and experimental values are almost similar hence there doesnt seem much
improvement.

d) Paste here the plot with experimental values, NRTL with new parameters and
NRTL with original parameters.

T-xy diagram of ETHANOL/WATER

369,0
368,5

Exp. y ELV

368,0

Exp. x E LV

367,5
367,0
366,5
366,0
365,5
365,0
364,5
364,0
363,5
363,0
362,5
362,0
361,5
Temperature, K

361,0
360,5
360,0
359,5
359,0
358,5
358,0
357,5
357,0
356,5
356,0
355,5
355,0
354,5
354,0
353,5
353,0
352,5
352,0
351,5
351,0
0,00

0,05

0,10

0,15

0,20

0,25

0,30

0,35

0,40

0,45
0,50
0,55
Mass fraction, WATER

Figure 2.T-xy plot of water/ethanol at1 atm. Experimental data

0,60

0,65

0,70

0,75

0,80

0,85

0,90

0,95

1,00

T-xy diagram of ETHANOL/WATER

374
Exp. y ELV
Exp. x ELV
T -x IDEAL 1,0 atm
T -y IDEAL 1,0 atm

372

T -x NRT L 1,0 atm

T -y NRT L 1,0 atm

370

368

366

Temperature, K

364

362

360

358

356

354

352

350
0,00

0,05

0,10

0,15

0,20

0,25

0,30

0,35

0,40

0,45
0,50
0,55
Mass fraction, WATER

0,60

0,65

Figure 3. Txy plot for water/ethanol at 1 atm, with experimental data, IDEAL and NRTL property methods.

0,70

0,75

0,80

0,85

0,90

0,95

1,00