Ni / S-300

Tiemp
o

1,2,3,4
THNaftalen
o

Naftaleno

C
decalina

T-decalina

76727.7

965.79254

348.6521
3

330.60797

23064.3
4180.8222
80
7

29295.1

13272.5

10806.8

12387.9

33130.6

28008.3

120 812.04694 4366.44238

37894.4

32483.9

160 115.61952 1686.37952

40850.6

35294.4

200 505.30331
240
0

40731.2
0

35515.4
0

0
40

505.30331
0

78372.7
5
76438.7
0
77707.6
2
75556.7
9
77947.0
0
77257.2
1
0.00

90000
80000
70000
60000
50000
40000 Naftaleno

1,2,3,4 THNaftaleno

Cdecalina

T-decalina

30000
20000
10000
0
0

50

100

150

200

250

300

Ci/Ci0
Tiempo CNaf/CNaf 0
0 0.979009891
40 0.301735901
80 0.053801959
120 0.010747505
160 0.001483309
200 0.006540533

C THNaf/CNaf 0
0.012323065
0.383249584
0.159416794
0.057790205
0.021634951
0.006540533

C Cdec/CNaf 0 C T-dec/CNaf 0
0.00444864
0.004218404 1
0.173635868
0.141378647 1
0.426349424
0.360431824 1
0.50153534
0.42992695 1
0.524081754
0.452799985 1
0.527215541
0.459703393 1

1
0.9
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
0
0

Tiempo
0
40
80
120
160
200

20

40

60

Naftaleno
0.020990109
0.698264099
0.946198041
0.989252495
0.998516691
0.993459467

80

100

120

140

160

CONVERSIONES
Tetralina
cis-Decalina
0.012323065
0.0044486
0.383249584
0.1736359
0.159416794
0.4263494
0.057790205
0.5015353
0.021634951
0.5240818
0.006540533
0.5272155

180

200

trans- Decalina
0.004218404
0.141378647
0.360431824
0.42992695
0.452799985
0.459703393

Ni / S-300 (0.5 mmol)

Tiem
po
0
30
60
90
120
150
180
210

1,2,3,4
C
Tnaftaleno THNaftaleno
decalina decalina
6.49E+0
7819.19 6478.35
4
254.8521
336
01
3.69E+0
5669.50 4736.17
4
3.07E+04
293
041
1.18E+0
2.38E+0 2.07E+0
4
2.25E+04
4
4
2100.45
3.14E+0 2.78E+0
703
1.64E+04
4
4
3.79E+0 3.45E+0
99.2021
4532.06006
4
4
809.533
3.92E+0 3.65E+0
75
809.53375
4
4
148.482
3.96E+0 3.78E+0
97
148.48297
4
4
0.00E+0 0.00E+0
0
0
0
0

C
CNaf/CNaf THNaf/CNaf
0
0
7.95E+
04
7.80E+
04
7.88E+
04
7.78E+
04
7.70E+
04
7.73E+
04
7.77E+
04
0.00E+
00

8.17E-01

3.21E-03

4.73E-01

3.93E-01

1.50E-01

2.86E-01

2.70E-02

2.11E-01

1.29E-03

5.88E-02

1.05E-02

1.05E-02

1.91E-03

1.91E-03

C
de

Ni / S-300
Tiem
po

naftaleno

1,2,3,4
THNaftaleno

0 7.67E+04

965.79254

40 2.31E+04
4180.822
80
27

2.93E+04

120 8.12E+02
115.6195
160
2
505.3033
200
1

4.37E+03

240

1.24E+04

1686.37952
505.30331
0.00E+00

C
decalin
a
348.652
13
1.33E+0
4
3.31E+0
4
3.79E+0
4
4.09E+0
4
4.07E+0
4
0.00E+0
0

Tdecalina
330.607
97
1.08E+0
4
2.80E+0
4
3.25E+0
4
3.53E+0
4
3.55E+0
4
0.00E+0
0

CNaf/CNaf C THNaf/CNaf
0
0
7.84E+
04
7.64E+
04
7.77E+
04
7.56E+
04
7.79E+
04
7.73E+
04
0.00E+
00

9.79E-01

1.23E-02

3.02E-01

3.83E-01

5.38E-02

1.59E-01

1.07E-02

5.78E-02

1.48E-03

2.16E-02

6.54E-03

6.54E-03

Ni / S-500
Tiem
po
0
40
80
120
160
200
240
280
320

1,2,3,4
naftaleno THNaftaleno
7.69E+0
4
0
7.52E+0
4
567.38202
4.96E+0
4
2.47E+04
2.90E+0
4
4.09E+04
1.53E+0
4
4.96E+04
8577.964
84
5.26E+04
4533.807
13
5.08E+04
1556.457
76
4.69E+04
1125.412
96
4.50E+04

C
CNaf/CNaf THNaf/CNaf
0
0

C
Tdecalina decalina
0

74.38356
1580.553
96
3459.290
04
6082.493
65
8227.631
84
1.05E+0
4
1.45E+0
4
4.50E+0
4

68.93873
1425.020
3
3018.047
85
4915.998
05
6712.938
48
8708.902
34
1.24E+0
4
1.31E+0
4

7.69E+
04 1.00E+00
7.59E+
04 9.91E-01
7.73E+
04 6.42E-01
7.64E+
04 3.80E-01
7.58E+
04 2.02E-01
7.61E+
04 1.13E-01
7.45E+
04 6.09E-02
7.54E+
04 2.07E-02
1.04E+
05 1.08E-02

Ni / S-700
Tie naftal 1,2,3,4
mp eno
THNaftale
o
no

C
deca
lina
3524.
6.81E 1459.5141 1723
0
+04
6
6
9242.
4.54E
4990
40
+04 1.37E+04
2

Tdecali
na
4583.
5029
3
8560.
7363
3

1.66E 7448.3994 2.71E 2.58E

+04
1
+04
+04
6263.
5864
3.41E 3.34E
120
3 3564.177
+04
+04
1641.
0998 1553.3237 3.67E 3.72E
160
5
3
+04
+04
80

490.5
3.75E 3.92E
220 5518 701.54755
+04
+04
260
0
0 0.00E 0.00E
+00
+00

CNaf/
CNaf
0
7.76
E+0
4
7.70
E+0
4
7.69
E+0
4
7.72
E+0
4
7.70
E+0
4
7.80
E+0
4
0.00
E+0

C
CC
THNaf/ dec/C
CNaf
Naf

C Tdec/C
Naf

8.77E01

1.88E02

4.54E- 5.90E02
02

5.91E01

1.78E01

1.20E- 1.11E01
01

2.16E01

9.69E02

3.52E- 3.35E01
01

8.11E02

4.61E02

4.41E- 4.32E01
01

2.13E02

2.02E02

4.76E- 4.82E01
01

6.29E03

9.00E03

4.81E- 5.03E01
01

0.00E+00
7.47E-03
3.19E-01
5.35E-01
6.53E-01
6.91E-01
6.82E-01
6.22E-01
4.32E-01

C
d

Ni / S-300 (0.5 mmol)

Tiemp
1,2,3,4
o
naftaleno THNaftaleno
0

64914.6

30
60

36914.6
11809.6

C
decalina
7819.193
254.8521
4
5669.502
30696.9
9
22499.3 23766.5

90 2100.457
120

99.2021
809.5337
150
5
148.4829
180
7
210
0

16445

31415.1

4532.06006

37908.6

809.53375

39156.7

148.48297
0

39648.2
0

Tdecalina
6478.350 79466.99
1
6
4736.170 78017.17
4
3
20693.9 78769.3
77805.45
27844.9
7
77030.66
34490.8
2
77283.66
36507.9
8
77732.06
37786.9
6
0
0

70000
60000
50000
40000
naftaleno
30000

1,2,3,4 THNaftaleno

Cdecalina

T-decalina

20000
10000
0
0

50

100

150

200

250

Ci/Ci0
Tiempo CNaf/CNaf 0 C THNaf/CNaf 0 C Cdec/CNaf 0 C T-dec/CNaf 0
0 0.816874975
0.003207018
0.098395482
0.081522525 1
30 0.473159926
0.393463371
0.072669935
0.060706768 1
60 0.149926431
0.285635393
0.301722879
0.262715296 1
90 0.026996269
0.211360496
0.403764738
0.357878497 1
120 0.001287826
0.058834494
0.492123512
0.447754167 1
150 0.010474836
0.010474836
0.506662032
0.472388296 1
180 0.001910189
0.001910189
0.510062347
0.486117274 1
0.9
0.8
0.7
0.6
Naftaleno

0.5

Tetralina

0.4

cis-Decalina
trans-Decalina

0.3
0.2
0.1
0
0

20 40 60 80 100 120 140 160 180 200

Tiempo Naftaleno
0
0.183125025
30
0.526840074
60
0.850073569
90
0.973003731
120
0.998712174

CONVERSIONES
Tetralina
cis-Decalina
trans- Decalina
0.003207018
0.098395482
0.081522525
0.393463371
0.071344121
0.060706768
0.285635393
0.299073846
0.262715296
0.211360496
0.395322609
0.357878497
0.058834494
0.477035777
0.447754167

150
180

0.989525164
0.998089811

0.010474836
0.001910189

0.492741669
0.498926626

0.472388296
0.486117274

Ni / S-700
Tiemp
o

Naftaleno 1,2,3,4 THNaftaleno Cdecalina T-decalina

3524.1723 4583.5029
0
68079.2
1459.51416
6
3
9242.4990 8560.7363
40
45446
13706.1
2
3
80

16599.1
6263.5864
120
3
1641.0998
160
5

7448.39941

27080.2

25764.3

3564.177

34063.4

33355.8

1553.32373

36687.8

37154.4

220 490.55518
260
0

701.54755
0

37526.1
0

39241.7
0

77646.3894
5
76955.3353
5
76891.9994
1
77246.9634
3
77036.6235
8
77959.9027
3
0

80000
70000
60000
50000
40000

Naftaleno

1,2,3,4 THNaftaleno

Cdecalina

T-decalina

30000
20000
10000
0
0

50

100

150

200

250

Ci/Ci0
Tiempo
0
40

CNaf/CNaf 0
0.876785134
0.590550347

C THNaf/CNaf 0
0.018796935
0.17810461

C Cdec/CNaf 0 C T-dec/CNaf 0
0.04538746
0.059030471
0.120102121
0.111242922

300

80
120
160
220

0.215875515
0.081085212
0.021302853
0.006292404

0.096868328
0.046140027
0.020163445
0.008998825

0.352184885
0.440967496
0.476238421
0.481351293

0.335071271
0.431807265
0.482295281
0.503357478

1
0.9
0.8
0.7
0.6

Naftaleno

0.5

Tetralina

0.4

cis-Decalina
trans-Decalina

0.3
0.2
0.1
0
0

50

100

150

200

250

CONVERSIONES
Tiempo
0
40
80
120
160
220

Naftaleno
0.1232149
0.4094497
0.7841245
0.9189148
0.9786971
0.9937076

Tetralina
0.018796935
0.17810461
0.096868328
0.046140027
0.020163445
0.008998825

cis-Decalina
0.04538746
0.120102121
0.352184885
0.440967496
0.476238421
0.481351293

trans- Decalina
0.059030471
0.111242922
0.335071271
0.431807265
0.482295281
0.503357478

Ni / S-500
Tiempo naftaleno
1,2,3,4 THNaftaleno
Cdecalina
T-decalina
0
76942.20
0.0000
0.0000
0.0000
40 75225.7000
567.3820
74.3836
68.9387
80 49604.6000
24659.7000
1580.5540
1425.0203
120 29030.8000
40897.1000
3459.2900
3018.0479
160 15286.7000
49551.1000
6082.4937
4915.9981
200
8577.9648
52598.5000
8227.6318
6712.9385
240
4533.8071
50771.6000 10474.3000
8708.9023
280
1556.4578
46861.5000 14506.8000 12432.2000
320
1125.4130
45013.7000 45013.7000 13079.2000

76942.2000
75936.4043
77269.8743
76405.2379
75836.2917
76117.0352
74488.6095
75356.9578
104232.0130

90000.00
80000.00
70000.00
60000.00
50000.00
40000.00 naftaleno

1,2,3,4 THNaftaleno

Cdecalina

T-decalina

30000.00
20000.00
10000.00
0.00
0

50

100

150

200

250

300

350

Ci/Ci0
Tiempo
0
40
80
120
160

CNaf/CNaf 0

C THNaf/CNaf 0

C T-dec/CNaf
0

C Cdec/CNaf 0

0.99
0.64
0.38
0.20

0.0075
0.3191
0.5353
0.6534

0.0010
0.0205
0.0453
0.0802

0.0009
0.0184
0.0395
0.0648

1
1
1
1

200
240
280
320

0.11
0.06
0.02
0.01

0.6910
0.6816
0.6219
0.4319

0.1081
0.1406
0.1925
0.4319

1.00
0.90
0.80
0.70
0.60
Ci/ Cio

Naftaleno
Tetralina
Cis-Decalina
Trans-Decalina

0.50
0.40
0.30
0.20
0.10
0.00
0

50

100

150

200

250

300

350

t(s)

Tiempo
0
40
80
120
160
200
240
280
320

Naftaleno
0.0000
0.0094
0.3580
0.6200
0.7984
0.8873
0.9391
0.9793
0.9892

CONVERSIONES
Tetralina
cis-Decalina
trans- Decalina
1.0000
0.0000
0.0000
0.9906
0.0010
0.0009
0.6420
0.0205
0.0184
0.3800
0.0453
0.0395
0.2016
0.0802
0.0648
0.1127
0.1081
0.0882
0.0609
0.1406
0.1169
0.0207
0.1925
0.1650
0.0108
0.4319
0.1255

0.0882
0.1169
0.1650
0.1255

1
1
1
1