Pregunta 1,2,3- 2da Pc funda 2

7/24/2019 Pregunta 1,2,3- 2da Pc funda 2

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H2S(a)= HS(-a) + H(+a)

T T deltaH deltaS deltaG K1

C K kJ J/K kJ

0 273.15 32.182 -27.124 39.591 2.68-08

5 278.15 30.091 -34.713 39.746 3.43E-0810 283.15 28.237 -41.32 39.937 4.29-08

15 288.15 26.564 -47.177 40.158 5.24-08

20 293.15 25.028 -52.461 40.407 6.30-08

25 298.15 23.598 -57.301 40.682 7.45E-08

30 303.15 22.247 -61.794 40.98 8.68-08

35 308.15 20.955 -66.02 41.299 9.97-08

40 313.15 19.709 -70.032 41.64 1.13-07

45 318.15 18.497 -73.873 42 1.27-07

50 323.15 17.311 -77.57 42.378 1.41-07

55 328.15 16.148 -81.142 42.775 1.55-0760 333.15 15.005 -84.598 43.189 1.69-07

65 338.15 13.876 -87.963 43.621 1.83-07

70 343.15 12.754 -91.259 44.069 1.96-07

75 348.15 11.635 -94.495 44.533 2.08-07

80 353.15 10.518 -97.681 45.014 2.20-07

85 358.15 9.399 -100.825 45.51 2.30-07

90 363.15 8.277 -103.937 46.022 2.40-07

95 368.15 7.149 -107.023 46.549 2.48E-07

100 373.15 6.011 -110.092 47.092 2.56-07

HS(-a) = S(-2a) + H(+a)

T T deltaH deltaS deltaG K2

C K kJ J/K kJ

0 273.15 48.631 -84.907 71.823 1.84-14

5 278.15 49.081 -83.273 72.243 2.70E-14

10 283.15 49.334 -82.371 72.657 3.94-14

15 288.15 49.421 -82.063 73.068 5.67-14

20 293.15 49.37 -82.238 73.479 8.06-14

25 298.15 49.204 -82.801 73.891 1.13E-1330 303.15 48.941 -83.675 74.307 1.57-13

35 308.15 48.598 -84.798 74.728 2.15-13

40 313.15 48.187 -86.12 75.155 2.90-13

45 318.15 47.719 -87.604 75.59 3.88-13

50 323.15 47.2 -89.221 76.032 5.12-13

55 328.15 46.636 -90.952 76.482 6.68-13

60 333.15 46.03 -92.786 76.941 8.62-13

65 338.15 45.389 -94.695 77.41 1.10-12


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70 343.15 44.721 -96.656 77.888 1.39-12

75 348.15 44.03 -98.655 78.377 1.74-12

80 353.15 43.32 -100.681 78.875 2.15-12

85 358.15 42.594 -102.722 79.384 2.64-12

90 363.15 41.855 -104.769 79.902 3.21-12

95 368.15 41.109 -106.811 80.431 3.87E-12

100 373.15 40.357 -108.84 80.97 4.62-12

C!(-a) + H(+a) = HC!(a)

T T deltaH deltaS deltaG K1C K kJ J/K kJ

0 273.15 -51.018 4.163 -52.155 9.43+09

5 278.15 -49.198 10.768 -52.193 6.34E+09

10 283.15 -47.576 16.55 -52.262 4.38+09

15 288.15 -46.11 21.682 -52.358 3.10+09

20 293.15 -44.766 26.308 -52.478 2.25+09

25 298.15 -43.514 30.543 -52.62 1.66E+09

30 303.15 -42.33 34.479 -52.783 1.25+09

35 308.15 -41.198 38.185 -52.964 9.52+08

40 313.15 -40.102 41.714 -53.164 7.39+0845 318.15 -39.033 45.101 -53.381 5.82+08

50 323.15 -37.985 48.368 -53.615 4.65+08

55 328.15 -36.957 51.524 -53.865 3.76+08

60 333.15 -35.951 54.568 -54.13 3.08+08

65 338.15 -34.956 57.531 -54.41 2.54+08

70 343.15 -33.967 60.436 -54.705 2.13+08

75 348.15 -32.981 63.288 -55.015 1.80+08

80 353.15 -31.997 66.096 -55.338 1.53+08


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85 358.15 -31.011 68.865 -55.676 1.32+08

90 363.15 -30.024 71.604 -56.027 1.15+08

95 368.15 -29.032 74.318 -56.392 1.00E+08

100 373.15 -28.033 77.013 -56.77 8.86+07


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T K1 K2

5 3.43-08 2.70-14

"H #H$ #H2S$/%S2-

&'(K) 0 1.00+00 3.43-08 1.00+00

1 1.00-01 3.43-07 1.00+00

-7.572 2 1.00-02 3.43-06 1.00+00

-7.465 3 1.00-03 3.43-05 1.00+00-7.368 4 1.00-04 3.43-04 1.00+00

-7.28 5 1.00-05 3.42-03 9.97-01

-7.201 6 1.00-06 3.32-02 9.67-01

-7.128 7 1.00-07 2.55-01 7.45-01

-7.062 8 1.00-08 7.74-01 2.26-01

-7.001 9 1.00-09 9.72-01 2.83-02

-6.946 10 1.00-10 9.97-01 2.91-03

-6.896 11 1.00-11 9.97-01 2.91-04

-6.851 12 1.00-12 9.74-01 2.84-05

-6.809 13 1.00-13 7.87-01 2.29-06-6.772 14 1.00-14 2.70-01 7.87-08

-6.739 15 1.00-15 3.57-02 1.04-09

-6.709 16 1.00-16 3.68-03 1.07-11

-6.682 17 1.00-17 3.70-04 1.08-13

-6.659 18 1.00-18 3.70-05 1.08-15

-6.638

-6.62

-6.605

-6.593

&'(K)

-13.74

-13.57

-13.41

-13.25

-13.09

-12.95-12.81

-12.67

-12.54

-12.41

-12.29

-12.18

-12.07

-11.96

#HS-$/%S2-

0 2 40.00

10.00

20.00

30.00

40.00

50.00

60.00

70.00

80.00

90.00

100.00Diagram

%"oncen&racion

1.00+00

Diagr


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-11.86

-11.76

-11.67

-11.58

-11.49

-11.41

-11.34

T K1

5 6.34+09

"H #H$

&'(K) 0 1.00+00 1.58-10 1.00+001 1.00-01 1.58-09 1.00+00

9.975 2 1.00-02 1.58-08 1.00+00

9.802 3 1.00-03 1.58-07 1.00+00

9.642 4 1.00-04 1.58-06 1.00+00

9.492 5 1.00-05 1.58-05 1.00+00

9.351 6 1.00-06 1.58-04 1.00+00

9.22 7 1.00-07 1.57-03 9.98-01

9.096 8 1.00-08 1.55-02 9.84-01

8.979 9 1.00-09 1.36-01 8.64-01

8.869 10 1.00-10 6.12-01 3.88-018.765 11 1.00-11 9.40-01 5.97-02

8.667 12 1.00-12 9.94-01 6.30-03

8.575 13 1.00-13 9.99-01 6.34-04

8.488 14 1.00-14 1.00+00 6.34-05

8.406 15 1.00-15 1.00+00 6.34-06

8.328 16 1.00-16 1.00+00 6.34-07

8.255 17 1.00-17 1.00+00 6.34-08

8.186 18 1.00-18 1.00+00 6.34-09

#C!-$/%C!- #HC!$/%C!-

0 2 4

-5.00+00

-4.00+00

-3.00+00

-2.00+00

-1.00+00

0.00+00

&*G(#

*ogS2-,


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8.121

8.059

8.002

7.947

0 2 40.00

10.00

20.00

30.00

40.00

50.00

60.00

70.00

80.00

90.00

100.00Diagrama

%"oncen&racion

0 2 4

-5.00+00

-4.00+00

-3.00+00

-2.00+00

-1.00+00

0.00+00

1.00+00

Dia

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#S2-$/%S2- &*G(#H2S$/%S2-) &*G(#S2-$/%S2-)

9.27-22 -7.46+00 -1.49-08 -2.10+01

9.27-20 -6.46+00 -1.49-07 -1.90+01

9.27-18 -5.46+00 -1.49-06 -1.70+01

9.27-16 -4.46+00 -1.49-05 -1.50+019.27-14 -3.46+00 -1.49-04 -1.30+01

9.24-12 -2.47+00 -1.49-03 -1.10+01

8.97-10 -1.48+00 -1.46-02 -9.05+00

6.91-08 -5.93-01 -1.28-01 -7.16+00

2.09-06 -1.11-01 -6.46-01 -5.68+00

2.63-05 -1.25-02 -1.55+00 -4.58+00

2.70-04 -1.38-03 -2.54+00 -3.57+00

2.70-03 -1.30-03 -3.54+00 -2.57+00

2.63-02 -1.16-02 -4.55+00 -1.58+00

2.13-01 -1.04-01 -5.64+00 -6.72-017.30-01 -5.69-01 -7.10+00 -1.37-01

9.64-01 -1.45+00 -8.98+00 -1.58-02

9.96-01 -2.43+00 -1.10+01 -1.60-03

1.00+00 -3.43+00 -1.30+01 -1.61-04

1.00+00 -4.43+00 -1.50+01 -1.61-05

&*G(#HS-$/%S2-)

6 8 10 12 14 16 18 2

de Predominancia S= - H2O 5!"#

#H2S$/%S2- #HS-$/%S2- #S2-$/%S2-

$H

ma de '(err)m S= - H2O 5!"#


10/82

&*G(#HC!$/%C!-)

-9.80+00 -6.85-11-8.80+00 -6.85-10

-7.80+00 -6.85-09

-6.80+00 -6.85-08

-5.80+00 -6.85-07

-4.80+00 -6.85-06

-3.80+00 -6.85-05

-2.80+00 -6.84-04

-1.81+00 -6.79-03

-8.66-01 -6.36-02

-2.13-01 -4.11-01-2.67-02 -1.22+00

-2.75-03 -2.20+00

-2.75-04 -3.20+00

-2.76-05 -4.20+00

-2.76-06 -5.20+00

-2.76-07 -6.20+00

-2.76-08 -7.20+00

-2.76-09 -8.20+00

&*G(#C!-$/%C!-)

6 8 10 12 14 16 18 2

H2S$/%S2-) &*G(#HS-$/%S2-) &*G(#S2-$/%S2-)

$H


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6 8 10 12 14 16 18 2

e Predominancia "- - H2O 5!"#

#C!-$/%C!- #HC!$/%C!-

$H

6 8 10 12 14 16 18

rama de '(err)m "- - H2O 5!"#

&*G(#C!-$/%C!-) &*G(#HC!$/%

$H


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13/82

T K1 K2

25 7.45-08 1.13-13

"H #H$ #H2S$/%S2- #S2-$/%S2-

0 1.00+00 7.45-08 1.00+00 8.42-21

1 1.00-01 7.45-07 1.00+00 8.42-19

2 1.00-02 7.45-06 1.00+00 8.42-17

3 1.00-03 7.45-05 1.00+00 8.42-154 1.00-04 7.44-04 9.99-01 8.42-13

5 1.00-05 7.39-03 9.93-01 8.36-11

6 1.00-06 6.93-02 9.31-01 7.84-09

7 1.00-07 4.27-01 5.73-01 4.83-07

8 1.00-08 8.82-01 1.18-01 9.97-06

9 1.00-09 9.87-01 1.32-02 1.12-04

10 1.00-10 9.98-01 1.34-03 1.13-03

11 1.00-11 9.89-01 1.33-04 1.12-02

12 1.00-12 8.98-01 1.21-05 1.02-01

13 1.00-13 4.69-01 6.30-07 5.31-0114 1.00-14 8.12-02 1.09-08 9.19-01

15 1.00-15 8.76-03 1.18-10 9.91-01

16 1.00-16 8.83-04 1.19-12 9.99-01

17 1.00-17 8.84-05 1.19-14 1.00+00

18 1.00-18 8.84-06 1.19-16 1.00+00

#HS-$/%S2-

0 2 4 60.00

10.00

20.00

30.00

40.00

50.00

60.00

70.00

80.00

90.00

100.00Diagrama de Pred

#H2S$/%S2-%"oncen&racion

1.00+00

Diagrama de


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T K1

25 1.66+09

"H #H$

0 1.00+00 6.03-10 1.00+001 1.00-01 6.03-09 1.00+00

2 1.00-02 6.03-08 1.00+00

3 1.00-03 6.03-07 1.00+00

4 1.00-04 6.03-06 1.00+00

5 1.00-05 6.03-05 1.00+00

6 1.00-06 6.03-04 9.99-01

7 1.00-07 6.00-03 9.94-01

8 1.00-08 5.69-02 9.43-01

9 1.00-09 3.76-01 6.24-01

10 1.00-10 8.58-01 1.42-0111 1.00-11 9.84-01 1.63-02

12 1.00-12 9.98-01 1.66-03

13 1.00-13 1.00+00 1.66-04

14 1.00-14 1.00+00 1.66-05

15 1.00-15 1.00+00 1.66-06

16 1.00-16 1.00+00 1.66-07

17 1.00-17 1.00+00 1.66-08

18 1.00-18 1.00+00 1.66-09

#C!-$/%C!- #HC!$/%C!-

0 2 4 6

-5.00+00

-4.00+00

-3.00+00

-2.00+00

-1.00+00

0.00+00

&*G(#H2S$/%S2-)

*ogS2-,


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20

!-)

0 2 4 60.00

10.00

20.00

30.00

40.00

50.00

60.00

70.00

80.00

90.00

100.00Diagrama de Pred

%"oncen&racion

0 2 4 6

-5.00+00

-4.00+00

-3.00+00

-2.00+00

-1.00+00

0.00+00

1.00+00

Diagrama de '(

*og"-,


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17/82

T

95

&*G(#H2S$/%S2-) &*G(#S2-$/%S2-) "H

-7.13+00 -3.24-08 -2.01+01 0

-6.13+00 -3.24-07 -1.81+01 1

-5.13+00 -3.24-06 -1.61+01 2

-4.13+00 -3.23-05 -1.41+01 3-3.13+00 -3.23-04 -1.21+01 4

-2.13+00 -3.22-03 -1.01+01 5

-1.16+00 -3.12-02 -8.11+00 6

-3.70-01 -2.42-01 -6.32+00 7

-5.47-02 -9.27-01 -5.00+00 8

-5.84-03 -1.88+00 -3.95+00 9

-1.07-03 -2.87+00 -2.95+00 10

-4.94-03 -3.88+00 -1.95+00 11

-4.65-02 -4.92+00 -9.93-01 12

-3.29-01 -6.20+00 -2.75-01 13-1.09+00 -7.96+00 -3.68-02 14

-2.06+00 -9.93+00 -3.82-03 15

-3.05+00 -1.19+01 -3.84-04 16

-4.05+00 -1.39+01 -3.84-05 17

-5.05+00 -1.59+01 -3.84-06 18

&*G(#HS-$/%S2-)

8 10 12 14 16 18 20

minancia S= - H2O 25!"#

#HS-$/%S2- #S2-$/%S2-

$H

(err)m S= - H2O 5!"#


18/82

T

95

&*G(#HC!$/%C!-) "H

-9.22+00 -2.62-10 0-8.22+00 -2.62-09 1

-7.22+00 -2.62-08 2

-6.22+00 -2.62-07 3

-5.22+00 -2.62-06 4

-4.22+00 -2.62-05 5

-3.22+00 -2.62-04 6

-2.22+00 -2.61-03 7

-1.25+00 -2.54-02 8

-4.25-01 -2.05-01 9

-6.66-02 -8.47-01 10-7.14-03 -1.79+00 11

-7.19-04 -2.78+00 12

-7.20-05 -3.78+00 13

-7.20-06 -4.78+00 14

-7.20-07 -5.78+00 15

-7.20-08 -6.78+00 16

-7.20-09 -7.78+00 17

-7.20-10 -8.78+00 18

&*G(#C!-$/%C!-)

8 10 12 14 16 18 20

&*G(#HS-$/%S2-) &*G(#S2-$/%S2-)

$H


19/82

8 10 12 14 16 18 20

minancia "- - H2O 25!"#

#C!-$/%C!- #HC!$/%C!-

$H

8 10 12 14 16 18 20

err)m "- - H2O 25!"#

&*G(#C!-$/%C!-) &*G(#HC!$/%C!-)

$H


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21/82

K1 K2

2.48-07 3.87-12

#H$ #H2S$/%S2- #S2-$/%S2-

1.00+00 2.48-07 1.00+00 9.59-19 -6.61+00

1.00-01 2.48-06 1.00+00 9.59-17 -5.61+00

1.00-02 2.48-05 1.00+00 9.59-15 -4.61+00

1.00-03 2.48-04 1.00+00 9.59-13 -3.61+001.00-04 2.48-03 9.98-01 9.57-11 -2.61+00

1.00-05 2.42-02 9.76-01 9.36-09 -1.62+00

1.00-06 1.99-01 8.01-01 7.69-07 -7.01-01

1.00-07 7.13-01 2.87-01 2.75-05 -1.47-01

1.00-08 9.61-01 3.87-02 3.71-04 -1.73-02

1.00-09 9.92-01 4.00-03 3.83-03 -3.41-03

1.00-10 9.62-01 3.88-04 3.72-02 -1.66-02

1.00-11 7.21-01 2.91-05 2.79-01 -1.42-01

1.00-12 2.06-01 8.28-07 7.94-01 -6.87-01

1.00-13 2.52-02 1.02-08 9.75-01 -1.60+001.00-14 2.58-03 1.04-10 9.97-01 -2.59+00

1.00-15 2.59-04 1.04-12 1.00+00 -3.59+00

1.00-16 2.59-05 1.04-14 1.00+00 -4.59+00

1.00-17 2.59-06 1.04-16 1.00+00 -5.59+00

1.00-18 2.59-07 1.04-18 1.00+00 -6.59+00

#HS-$/%S2- &*G(#HS-$/%S2-)

0 2 4 60.00

10.00

20.00

30.00

40.00

50.00

60.00

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80.00

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#H2S$/%S2-

%"oncen&racion

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Diagrama d


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K1

1.00+08

#H$

1.00+00 9.96-09 1.00+00 -8.00+001.00-01 9.96-08 1.00+00 -7.00+00

1.00-02 9.96-07 1.00+00 -6.00+00

1.00-03 9.96-06 1.00+00 -5.00+00

1.00-04 9.96-05 1.00+00 -4.00+00

1.00-05 9.95-04 9.99-01 -3.00+00

1.00-06 9.86-03 9.90-01 -2.01+00

1.00-07 9.06-02 9.09-01 -1.04+00

1.00-08 4.99-01 5.01-01 -3.02-01

1.00-09 9.09-01 9.12-02 -4.16-02

1.00-10 9.90-01 9.94-03 -4.34-031.00-11 9.99-01 1.00-03 -4.36-04

1.00-12 1.00+00 1.00-04 -4.36-05

1.00-13 1.00+00 1.00-05 -4.36-06

1.00-14 1.00+00 1.00-06 -4.36-07

1.00-15 1.00+00 1.00-07 -4.36-08

1.00-16 1.00+00 1.00-08 -4.36-09

1.00-17 1.00+00 1.00-09 -4.36-10

1.00-18 1.00+00 1.00-10 -4.36-11

#C!-$/%C!- #HC!$/%C!- &*G(#C!-$/%C!-)

0 2 4 6

-5.00+00

-4.00+00

-3.00+00

-2.00+00

-1.00+00

0.00+00

&*G(#H2S$/%S2-)

*ogS2-,


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0 2 4 60.00

10.00

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30.00

40.00

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70.00

80.00

90.00

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%"oncen&racion

0 2 4 6

-5.00+00

-4.00+00

-3.00+00

-2.00+00

-1.00+00

0.00+00

1.00+00

Diagrama de

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25/82

&*G(#H2S$/%S2-) &*G(#S2-$/%S2-)

-1.08-07 -1.80+01

-1.08-06 -1.60+01

-1.08-05 -1.40+01

-1.08-04 -1.20+01-1.08-03 -1.00+01

-1.06-02 -8.03+00

-9.63-02 -6.11+00

-5.42-01 -4.56+00

-1.41+00 -3.43+00

-2.40+00 -2.42+00

-3.41+00 -1.43+00

-4.54+00 -5.55-01

-6.08+00 -9.99-02

-7.99+00 -1.11-02-9.98+00 -1.12-03

-1.20+01 -1.12-04

-1.40+01 -1.12-05

-1.60+01 -1.12-06

-1.80+01 -1.12-07

8 10 12 14 16 18 20

dominancia S= - H2O 95!"#

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'(err)m S= - H2O 5!"#

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aa la teatee,,' ,

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&*G(#HC!$/%C!-)

-4.33-09-4.33-08

-4.33-07

-4.33-06

-4.33-05

-4.32-04

-4.30-03

-4.12-02

-3.00-01

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-2.00+00-3.00+00

-4.00+00

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-8.00+00

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-1.00+01

8 10 12 14 16 18 20

&*G(#HS-$/%S2-) &*G(#S2-$/%S2-)

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t' d,a et' d,a ,aa,' ae la elea,

;t


27/82

8 10 12 14 16 18 20

dominancia "- -H2O 95!"#

#C!-$/%C!- #HC!$/%C!-

$H

8 10 12 14 16 18 20

'(err)m "- - H2O 95!"#

&*G(#C!-$/%C!-) &*G(#HC!$/%C!-)

$H

00.00

10.00

20.00

30.00

40.00

50.00

60.00

70.00

80.00

90.00

100.00

%"oncen&raci

0

-5.00+00

-4.00+00

-3.00+00

-2.00+00

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0.00+00

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*og"-,


28/82


29/82

etale "aa el a' de "H 4 - 5 tat' "a

l' daaa e el ee,t' de la te"eaS- a e 'l' de e 1 dad de "

e HS-/S2- e 'ea ,a' "',' a e"e,t' al "H dede 5C :ata 95C et

te"eata "'da a"l,ae e"e ,a

"ead' ,' la e' ad,' de Cal a el aet' de T.

4 6 8 10 12 14 16

Diagrama de Predominancia S= - H2O 5/25/95!"#

$H

Diagrama de '(err)m S= - H2O 5/25/95!"#


30/82

etale "aa el a' de "H 4 - 5 tat' "

a e el lte de la 'a de "ed'ta "H 8.

lee ee,t' de la te"eata dede "e elead' la te"eata "'de' a"l,a "H e' (e' ' de Cal) ae ta' de te"eata e at'


31/82

2 4 6 8 10 12 14

Diagrama de Predominancia "- -H2O 95!"#

#C!-$/

#C!-$/

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n

2 4 6 8 10 12 14

Diagrama de '(err)m "- - H2O 95!"#

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32/82


33/82

a 5 25 95C e el H2S

a e ' "aa ladede 5 a 95C

't'' e el "t' deaa 2 dade de "H

d' e ;t


34/82

a 5 25 95C e el

,a e de"laa dede

t' de ta a"l,at'el "',e' dele ea "',' ale ade eea e tale '

18 20&*G(#H2S$/%S2-)

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35/82

16 18 20

C!- #HC!$/%C!-

C!- #HC!$/%C!-

C!- #HC!$/%C!-

16 18 20

&*G(#C!-$/%C!-)

&*G(#HC!$/%C!-)

&*G(#C!-$/%C!-)

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&*G(#HC!$/%C!-)


36/82


37/82

"d"#4-2a#+H2Sa#+2H+a#="dS+4H"a#

T deltaH deltaS deltaG K &'(K)

C kJ J/K kJ

0 -120.748 83.219 -143.479 2.75+27 27.44

5 -118.085 92.881 -143.92 1.07E+27 27.029

10 -115.645 101.577 -144.406 4.38+26 26.64215 -113.392 109.465 -144.934 1.89+26 26.275

20 -111.293 116.685 -145.5 8.47+25 25.928

25 -109.317 123.37 -146.1 3.97E+25 25.598

30 -107.437 129.626 -146.733 1.93+25 25.285

35 -105.631 135.534 -147.396 9.71+24 24.987

40 -103.885 141.156 -148.088 5.05+24 24.704

45 -102.187 146.533 -148.807 2.71+24 24.434

50 -100.535 151.687 -149.553 1.50+24 24.176

55 -98.927 156.624 -150.323 8.52+23 23.93

60 -97.37 161.334 -151.118 4.96+23 23.69665 -95.848 165.869 -151.937 2.96+23 23.472

70 -94.355 170.25 -152.777 1.81+23 23.258

75 -92.891 174.487 -153.639 1.13+23 23.053

80 -91.453 178.587 -154.522 7.20+22 22.857

85 -90.041 182.558 -155.424 4.68+22 22.67

90 -88.653 186.408 -156.347 3.09+22 22.49

95 -87.287 190.143 -157.288 2.08E+22 22.319

100 -85.943 193.769 -158.248 1.43+22 22.154

"d"#4-2a#+HS-a#+3H+a#="dS+4H"a#


C kJ J/K kJ

0 -152.93 110.343 -183.07 1.03+35 35.012

5 -148.175 127.595 -183.666 3.12E+34 34.494

10 -143.881 142.897 -184.343 1.02+34 34.01

15 -139.956 156.641 -185.092 3.59+33 33.556

20 -136.322 169.146 -185.907 1.34+33 33.128

25 -132.915 180.671 -186.782 5.32E+32 32.726

30 -129.683 191.421 -187.713 2.22+32 32.34735 -126.586 201.554 -188.695 9.74+31 31.988

40 -123.594 211.188 -189.727 4.47+31 31.65

45 -120.684 220.406 -190.806 2.14+31 31.33

50 -117.846 229.257 -191.931 1.06+31 31.027

55 -115.075 237.766 -193.099 5.49+30 30.74

60 -112.375 245.933 -194.308 2.94+30 30.468

65 -109.724 253.832 -195.557 1.62+30 30.211

70 -107.109 261.509 -196.846 9.26+29 29.967


38/82

75 -104.526 268.982 -198.172 5.44+29 29.735

80 -101.971 276.268 -199.535 3.28+29 29.516

85 -99.441 283.384 -200.935 2.03+29 29.308

90 -96.93 290.345 -202.369 1.29+29 29.111

95 -94.436 297.166 -203.838 8.39E+28 28.924

100 -91.955 303.861 -205.34 5.58+28 28.747

"d"#4-2a#+HS-a#="dS+4"-a# +H+a#


C kJ J/K kJ

0 51.144 93.691 25.552 1.30-05 -4.887

5 48.616 84.521 25.107 1.93E-05 -4.715

10 46.421 76.698 24.704 2.77-05 -4.558

15 44.484 69.913 24.338 3.87-05 -4.412

20 42.74 63.914 24.004 5.28-05 -4.277

25 41.139 58.498 23.698 7.04E-05 -4.15230 39.639 53.506 23.418 9.22-05 -4.035

35 38.205 48.814 23.163 1.18-04 -3.927

40 36.813 44.333 22.93 1.50-04 -3.825

45 35.446 40.003 22.719 1.86-04 -3.73

50 34.094 35.787 22.53 2.28-04 -3.642

55 32.754 31.672 22.361 2.76-04 -3.56

60 31.428 27.662 22.213 3.29-04 -3.483

65 30.101 23.706 22.084 3.88-04 -3.412

70 28.758 19.766 21.976 4.51-04 -3.345

75 27.398 15.83 21.887 5.20-04 -3.28480 26.015 11.886 21.817 5.93-04 -3.227

85 24.605 7.923 21.768 6.68-04 -3.175

90 23.165 3.93 21.738 7.46-04 -3.127

95 21.69 -0.104 21.728 8.26E-04 -3.083

100 20.176 -4.19 21.739 9.05-04 -3.043

"d"#4-2a#+S-2a#="dS+4"-a#


C kJ J/K kJ0 2.513 178.598 -46.271 7.07+08 8.849

5 -0.464 167.794 -47.136 7.12E+08 8.853

10 -2.913 159.068 -47.953 7.03+08 8.847

15 -4.938 151.976 -48.73 6.83+08 8.834

20 -6.63 146.152 -49.475 6.55+08 8.816

25 -8.064 141.3 -50.193 6.23E+08 8.794

30 -9.302 137.181 -50.889 5.88+08 8.769

35 -10.393 133.612 -51.566 5.52+08 8.742


39/82

40 -11.374 130.454 -52.226 5.15+08 8.712

45 -12.273 127.607 -52.871 4.80+08 8.681

50 -13.106 125.008 -53.502 4.46+08 8.649

55 -13.882 122.624 -54.121 4.13+08 8.616

60 -14.602 120.448 -54.729 3.82+08 8.582

65 -15.288 118.402 -55.326 3.52+08 8.547

70 -15.963 116.422 -55.913 3.25+08 8.51275 -16.632 114.485 -56.49 2.99+08 8.476

80 -17.305 112.567 -57.058 2.76+08 8.44

85 -17.988 110.645 -57.616 2.53+08 8.404

90 -18.69 108.699 -58.164 2.33+08 8.367

95 -19.419 106.707 -58.703 2.14E+08 8.33

100 -20.181 104.65 -59.231 1.96+08 8.292


40/82


41/82

5!" 0.000045 0.0077

"H #H+$ #Cd$ #S2-$ #C!-$

0.0 1.00+00 0.00178 0.05 0.023

0.5 3.16-01 0.00178 0.05 0.023

1.0 1.00-01 0.00178 0.05 0.023

1.5 3.16-02 0.00178 0.05 0.023

2.0 1.00-02 0.00178 0.05 0.0232.5 3.16-03 0.00178 0.05 0.023

3.0 1.00-03 0.00178 0.05 0.023

3.5 3.16-04 0.00178 0.05 0.023

4.0 1.00-04 0.00178 0.05 0.023

4.5 3.16-05 0.00178 0.05 0.023

5.0 1.00-05 0.00178 0.05 0.023

5.5 3.16-06 0.00178 0.05 0.023

6.0 1.00-06 0.00178 0.05 0.023

6.5 3.16-07 0.00178 0.05 0.023

7.0 1.00-07 0.00178 0.05 0.0237.5 3.16-08 0.00178 0.05 0.023

8.0 1.00-08 0.00178 0.05 0.023

8.5 3.16-09 0.00178 0.05 0.023

9.0 1.00-09 0.00178 0.05 0.023

9.5 3.16-10 0.00178 0.05 0.023

10.0 1.00-10 0.00178 0.05 0.023

10.5 3.16-11 0.00178 0.05 0.023

11.0 1.00-11 0.00178 0.05 0.023

11.5 3.16-12 0.00178 0.05 0.023

12.0 1.00-12 0.00178 0.05 0.02312.5 3.16-13 0.00178 0.05 0.023

13.0 1.00-13 0.00178 0.05 0.023

13.5 3.16-14 0.00178 0.05 0.023

14.0 1.00-14 0.00178 0.05 0.023

14.5 3.16-15 0.00178 0.05 0.023

15.0 1.00-15 0.00178 0.05 0.023

15.5 3.16-16 0.00178 0.05 0.023

16.0 1.00-16 0.00178 0.05 0.023

16.5 3.16-17 0.00178 0.05 0.023

17.0 1.00-17 0.00178 0.05 0.02317.5 3.16-18 0.00178 0.05 0.023

18.0 1.00-18 0.00178 0.05 0.023

18.5 3.16-19 0.00178 0.05 0.023

19.0 1.00-19 0.00178 0.05 0.023

19.5 3.16-20 0.00178 0.05 0.023

20.0 1.00-20 0.00178 0.05 0.023


42/82

25!" 0.000045 0.0077

"H #H+$ #Cd$ #S2-$ #C!-$

0.0 1.00+00 0.00178 0.05 0.023

0.5 3.16-01 0.00178 0.05 0.023

1.0 1.00-01 0.00178 0.05 0.023

1.5 3.16-02 0.00178 0.05 0.0232.0 1.00-02 0.00178 0.05 0.023

2.5 3.16-03 0.00178 0.05 0.023

3.0 1.00-03 0.00178 0.05 0.023

3.5 3.16-04 0.00178 0.05 0.023

4.0 1.00-04 0.00178 0.05 0.023

4.5 3.16-05 0.00178 0.05 0.023

5.0 1.00-05 0.00178 0.05 0.023

5.5 3.16-06 0.00178 0.05 0.023

6.0 1.00-06 0.00178 0.05 0.023

6.5 3.16-07 0.00178 0.05 0.0237.0 1.00-07 0.00178 0.05 0.023

7.5 3.16-08 0.00178 0.05 0.023

8.0 1.00-08 0.00178 0.05 0.023

8.5 3.16-09 0.00178 0.05 0.023

9.0 1.00-09 0.00178 0.05 0.023

9.5 3.16-10 0.00178 0.05 0.023

10.0 1.00-10 0.00178 0.05 0.023

10.5 3.16-11 0.00178 0.05 0.023

11.0 1.00-11 0.00178 0.05 0.023

11.5 3.16-12 0.00178 0.05 0.02312.0 1.00-12 0.00178 0.05 0.023

12.5 3.16-13 0.00178 0.05 0.023

13.0 1.00-13 0.00178 0.05 0.023

13.5 3.16-14 0.00178 0.05 0.023

14.0 1.00-14 0.00178 0.05 0.023

14.5 3.16-15 0.00178 0.05 0.023

15.0 1.00-15 0.00178 0.05 0.023

15.5 3.16-16 0.00178 0.05 0.023

16.0 1.00-16 0.00178 0.05 0.023

16.5 3.16-17 0.00178 0.05 0.02317.0 1.00-17 0.00178 0.05 0.023

17.5 3.16-18 0.00178 0.05 0.023

18.0 1.00-18 0.00178 0.05 0.023

18.5 3.16-19 0.00178 0.05 0.023

19.0 1.00-19 0.00178 0.05 0.023

19.5 3.16-20 0.00178 0.05 0.023

20.0 1.00-20 0.00178 0.05 0.023


43/82

95!" 0.000045 0.0077

"H #H+$ #Cd$ #S2-$ #C!-$

0.0 1.00+00 0.00178 0.05 0.023

0.5 3.16-01 0.00178 0.05 0.0231.0 1.00-01 0.00178 0.05 0.023

1.5 3.16-02 0.00178 0.05 0.023

2.0 1.00-02 0.00178 0.05 0.023

2.5 3.16-03 0.00178 0.05 0.023

3.0 1.00-03 0.00178 0.05 0.023

3.5 3.16-04 0.00178 0.05 0.023

4.0 1.00-04 0.00178 0.05 0.023

4.5 3.16-05 0.00178 0.05 0.023

5.0 1.00-05 0.00178 0.05 0.023

5.5 3.16-06 0.00178 0.05 0.0236.0 1.00-06 0.00178 0.05 0.023

6.5 3.16-07 0.00178 0.05 0.023

7.0 1.00-07 0.00178 0.05 0.023

7.5 3.16-08 0.00178 0.05 0.023

8.0 1.00-08 0.00178 0.05 0.023

8.5 3.16-09 0.00178 0.05 0.023

9.0 1.00-09 0.00178 0.05 0.023

9.5 3.16-10 0.00178 0.05 0.023

10.0 1.00-10 0.00178 0.05 0.023

10.5 3.16-11 0.00178 0.05 0.023

11.0 1.00-11 0.00178 0.05 0.023

11.5 3.16-12 0.00178 0.05 0.023

12.0 1.00-12 0.00178 0.05 0.023

12.5 3.16-13 0.00178 0.05 0.023

13.0 1.00-13 0.00178 0.05 0.023

13.5 3.16-14 0.00178 0.05 0.023

14.0 1.00-14 0.00178 0.05 0.023

14.5 3.16-15 0.00178 0.05 0.023

15.0 1.00-15 0.00178 0.05 0.023

15.5 3.16-16 0.00178 0.05 0.023

16.0 1.00-16 0.00178 0.05 0.023

16.5 3.16-17 0.00178 0.05 0.023

17.0 1.00-17 0.00178 0.05 0.023

17.5 3.16-18 0.00178 0.05 0.023

18.0 1.00-18 0.00178 0.05 0.023

18.5 3.16-19 0.00178 0.05 0.023

19.0 1.00-19 0.00178 0.05 0.023

19.5 3.16-20 0.00178 0.05 0.023


44/82

20.0 1.00-20 0.00178 0.05 0.023


45/82

,.1 ,.2 ,.3 ,.4

#Cd(C!)4(-2a)$ #Cd(C!)4(-2a)$ #Cd(C!)4(-2a)$ #Cd(C!)4(-2a)$

5.23-33 1.79-40 2.91-01 7.86-15

5.23-32 5.67-39 9.19-02 7.86-15

5.23-31 1.79-37 2.91-02 7.86-15

5.23-30 5.67-36 9.19-03 7.86-15

5.23-29 1.79-34 2.91-03 7.86-155.23-28 5.67-33 9.19-04 7.86-15

5.23-27 1.79-31 2.91-04 7.86-15

5.23-26 5.67-30 9.19-05 7.86-15

5.23-25 1.79-28 2.91-05 7.86-15

5.23-24 5.67-27 9.19-06 7.86-15

5.23-23 1.79-25 2.91-06 7.86-15

5.23-22 5.67-24 9.19-07 7.86-15

5.23-21 1.79-22 2.91-07 7.86-15

5.23-20 5.67-21 9.19-08 7.86-15

5.23-19 1.79-19 2.91-08 7.86-155.23-18 5.67-18 9.19-09 7.86-15

5.23-17 1.79-16 2.91-09 7.86-15

5.23-16 5.67-15 9.19-10 7.86-15

5.23-15 1.79-13 2.91-10 7.86-15

5.23-14 5.67-12 9.19-11 7.86-15

5.23-13 1.79-10 2.91-11 7.86-15

5.23-12 5.67-09 9.19-12 7.86-15

5.23-11 1.79-07 2.91-12 7.86-15

5.23-10 5.67-06 9.19-13 7.86-15

5.23-09 1.79-04 2.91-13 7.86-155.23-08 5.67-03 9.19-14 7.86-15

5.23-07 1.79-01 2.91-14 7.86-15

5.23-06 5.67+00 9.19-15 7.86-15

5.23-05 1.79+02 2.91-15 7.86-15

5.23-04 5.67+03 9.19-16 7.86-15

5.23-03 1.79+05 2.91-16 7.86-15

5.23-02 5.67+06 9.19-17 7.86-15

5.23-01 1.79+08 2.91-17 7.86-15

5.23+00 5.67+09 9.19-18 7.86-15

5.23+01 1.79+11 2.91-18 7.86-155.23+02 5.67+12 9.19-19 7.86-15

5.23+03 1.79+14 2.91-19 7.86-15

5.23+04 5.67+15 9.19-20 7.86-15

5.23+05 1.79+17 2.91-20 7.86-15

5.23+06 5.67+18 9.19-21 7.86-15

5.23+07 1.79+20 2.91-21 7.86-15


46/82

,.1 ,.2 ,.3 ,.4


1.41-31 1.05-38 7.95-02 8.99-15

1.41-30 3.32-37 2.51-02 8.99-15

1.41-29 1.05-35 7.95-03 8.99-15

1.41-28 3.32-34 2.51-03 8.99-151.41-27 1.05-32 7.95-04 8.99-15

1.41-26 3.32-31 2.51-04 8.99-15

1.41-25 1.05-29 7.95-05 8.99-15

1.41-24 3.32-28 2.51-05 8.99-15

1.41-23 1.05-26 7.95-06 8.99-15

1.41-22 3.32-25 2.51-06 8.99-15

1.41-21 1.05-23 7.95-07 8.99-15

1.41-20 3.32-22 2.51-07 8.99-15

1.41-19 1.05-20 7.95-08 8.99-15

1.41-18 3.32-19 2.51-08 8.99-151.41-17 1.05-17 7.95-09 8.99-15

1.41-16 3.32-16 2.51-09 8.99-15

1.41-15 1.05-14 7.95-10 8.99-15

1.41-14 3.32-13 2.51-10 8.99-15

1.41-13 1.05-11 7.95-11 8.99-15

1.41-12 3.32-10 2.51-11 8.99-15

1.41-11 1.05-08 7.95-12 8.99-15

1.41-10 3.32-07 2.51-12 8.99-15

1.41-09 1.05-05 7.95-13 8.99-15

1.41-08 3.32-04 2.51-13 8.99-151.41-07 1.05-02 7.95-14 8.99-15

1.41-06 3.32-01 2.51-14 8.99-15

1.41-05 1.05+01 7.95-15 8.99-15

1.41-04 3.32+02 2.51-15 8.99-15

1.41-03 1.05+04 7.95-16 8.99-15

1.41-02 3.32+05 2.51-16 8.99-15

1.41-01 1.05+07 7.95-17 8.99-15

1.41+00 3.32+08 2.51-17 8.99-15

1.41+01 1.05+10 7.95-18 8.99-15

1.41+02 3.32+11 2.51-18 8.99-151.41+03 1.05+13 7.95-19 8.99-15

1.41+04 3.32+14 2.51-19 8.99-15

1.41+05 1.05+16 7.95-20 8.99-15

1.41+06 3.32+17 2.51-20 8.99-15

1.41+07 1.05+19 7.95-21 8.99-15

1.41+08 3.32+20 2.51-21 8.99-15

1.41+09 1.05+22 7.95-22 8.99-15


47/82

,.1 ,.2 ,.3 ,.4


2.69-28 6.67-35 6.78-03 2.62-14

2.69-27 2.11-33 2.14-03 2.62-142.69-26 6.67-32 6.78-04 2.62-14

2.69-25 2.11-30 2.14-04 2.62-14

2.69-24 6.67-29 6.78-05 2.62-14

2.69-23 2.11-27 2.14-05 2.62-14

2.69-22 6.67-26 6.78-06 2.62-14

2.69-21 2.11-24 2.14-06 2.62-14

2.69-20 6.67-23 6.78-07 2.62-14

2.69-19 2.11-21 2.14-07 2.62-14

2.69-18 6.67-20 6.78-08 2.62-14

2.69-17 2.11-18 2.14-08 2.62-142.69-16 6.67-17 6.78-09 2.62-14

2.69-15 2.11-15 2.14-09 2.62-14

2.69-14 6.67-14 6.78-10 2.62-14

2.69-13 2.11-12 2.14-10 2.62-14

2.69-12 6.67-11 6.78-11 2.62-14

2.69-11 2.11-09 2.14-11 2.62-14

2.69-10 6.67-08 6.78-12 2.62-14

2.69-09 2.11-06 2.14-12 2.62-14

2.69-08 6.67-05 6.78-13 2.62-14

2.69-07 2.11-03 2.14-13 2.62-14

2.69-06 6.67-02 6.78-14 2.62-14

2.69-05 2.11+00 2.14-14 2.62-14

2.69-04 6.67+01 6.78-15 2.62-14

2.69-03 2.11+03 2.14-15 2.62-14

2.69-02 6.67+04 6.78-16 2.62-14

2.69-01 2.11+06 2.14-16 2.62-14

2.69+00 6.67+07 6.78-17 2.62-14

2.69+01 2.11+09 2.14-17 2.62-14

2.69+02 6.67+10 6.78-18 2.62-14

2.69+03 2.11+12 2.14-18 2.62-14

2.69+04 6.67+13 6.78-19 2.62-14

2.69+05 2.11+15 2.14-19 2.62-14

2.69+06 6.67+16 6.78-20 2.62-14

2.69+07 2.11+18 2.14-20 2.62-14

2.69+08 6.67+19 6.78-21 2.62-14

2.69+09 2.11+21 2.14-21 2.62-14

2.69+10 6.67+22 6.78-22 2.62-14

2.69+11 2.11+24 2.14-22 2.62-14


48/82

2.69+12 6.67+25 6.78-23 2.62-14


49/82

#Cd T$,.1 ,.2 ,.3

&'#Cd(C!)4(-2a)$ &'#Cd(C!)4(-2a)$ &'#Cd(C!)4(-2a)$

2.91-01 -32.281442438 -39.746074035 -0.5367149431

9.19-02 -31.281442438 -38.246074035 -1.0367149431

2.91-02 -30.281442438 -36.746074035 -1.5367149431

9.19-03 -29.281442438 -35.246074035 -2.0367149431

2.91-03 -28.281442438 -33.746074035 -2.53671494319.19-04 -27.281442438 -32.246074035 -3.0367149431

2.91-04 -26.281442438 -30.746074035 -3.5367149431

9.19-05 -25.281442438 -29.246074035 -4.0367149431

2.91-05 -24.281442438 -27.746074035 -4.5367149431

9.19-06 -23.281442438 -26.246074035 -5.0367149431

2.91-06 -22.281442438 -24.746074035 -5.5367149431

9.19-07 -21.281442438 -23.246074035 -6.0367149431

2.91-07 -20.281442438 -21.746074035 -6.5367149431

9.19-08 -19.281442438 -20.246074035 -7.0367149431

2.91-08 -18.281442438 -18.746074035 -7.53671494319.19-09 -17.281442438 -17.246074035 -8.0367149431

2.91-09 -16.281442438 -15.746074035 -8.5367149431

9.19-10 -15.281442438 -14.246074035 -9.0367149431

2.91-10 -14.281442438 -12.746074035 -9.5367149431

9.76-11 -13.281442438 -11.246074035 -10.0367149431

2.09-10 -12.281442438 -9.746074035 -10.5367149431

5.69-09 -11.281442438 -8.246074035 -11.0367149431

1.79-07 -10.281442438 -6.746074035 -11.5367149431

5.68-06 -9.281442438 -5.246074035 -12.0367149431

1.79-04 -8.281442438 -3.746074035 -12.53671494315.67-03 -7.281442438 -2.246074035 -13.0367149431

1.79-01 -6.281442438 -0.746074035 -13.5367149431

5.67+00 -5.281442438 0.753925965 -14.0367149431

1.79+02 -4.281442438 2.253925965 -14.5367149431

5.67+03 -3.281442438 3.753925965 -15.0367149431

1.79+05 -2.281442438 5.253925965 -15.5367149431

5.67+06 -1.281442438 6.753925965 -16.0367149431

1.79+08 -0.281442438 8.253925965 -16.5367149431

5.67+09 0.718557562 9.753925965 -17.0367149431

1.79+11 1.718557562 11.253925965 -17.53671494315.67+12 2.718557562 12.753925965 -18.0367149431

1.79+14 3.718557562 14.253925965 -18.5367149431

5.67+15 4.718557562 15.753925965 -19.0367149431

1.79+17 5.718557562 17.253925965 -19.5367149431

5.67+18 6.718557562 18.753925965 -20.0367149431

1.79+20 7.718557562 20.253925965 -20.5367149431


50/82

#Cd T$,.1 ,.2 ,.3

&'#Cd(C!)4(-2a)$ &'#Cd(C!)4(-2a)$ &'#Cd(C!)4(-2a)$

7.95-02 -30.8503018519 -37.9782151264 -1.0998780076

2.51-02 -29.8503018519 -36.4782151264 -1.5998780076

7.95-03 -28.8503018519 -34.9782151264 -2.0998780076

2.51-03 -27.8503018519 -33.4782151264 -2.59987800767.95-04 -26.8503018519 -31.9782151264 -3.0998780076

2.51-04 -25.8503018519 -30.4782151264 -3.5998780076

7.95-05 -24.8503018519 -28.9782151264 -4.0998780076

2.51-05 -23.8503018519 -27.4782151264 -4.5998780076

7.95-06 -22.8503018519 -25.9782151264 -5.0998780076

2.51-06 -21.8503018519 -24.4782151264 -5.5998780076

7.95-07 -20.8503018519 -22.9782151264 -6.0998780076

2.51-07 -19.8503018519 -21.4782151264 -6.5998780076

7.95-08 -18.8503018519 -19.9782151264 -7.0998780076

2.51-08 -17.8503018519 -18.4782151264 -7.59987800767.95-09 -16.8503018519 -16.9782151264 -8.0998780076

2.51-09 -15.8503018519 -15.4782151264 -8.5998780076

7.95-10 -14.8503018519 -13.9782151264 -9.0998780076

2.52-10 -13.8503018519 -12.4782151264 -9.5998780076

9.01-11 -12.8503018519 -10.9782151264 -10.0998780076

3.59-10 -11.8503018519 -9.4782151264 -10.5998780076

1.05-08 -10.8503018519 -7.9782151264 -11.0998780076

3.33-07 -9.8503018519 -6.4782151264 -11.5998780076

1.05-05 -8.8503018519 -4.9782151264 -12.0998780076

3.33-04 -7.8503018519 -3.4782151264 -12.59987800761.05-02 -6.8503018519 -1.9782151264 -13.0998780076

3.32-01 -5.8503018519 -0.4782151264 -13.5998780076

1.05+01 -4.8503018519 1.0217848736 -14.0998780076

3.32+02 -3.8503018519 2.5217848736 -14.5998780076

1.05+04 -2.8503018519 4.0217848736 -15.0998780076

3.32+05 -1.8503018519 5.5217848736 -15.5998780076

1.05+07 -0.8503018519 7.0217848736 -16.0998780076

3.32+08 0.1496981481 8.5217848736 -16.5998780076

1.05+10 1.1496981481 10.0217848736 -17.0998780076

3.32+11 2.1496981481 11.5217848736 -17.59987800761.05+13 3.1496981481 13.0217848736 -18.0998780076

3.32+14 4.1496981481 14.5217848736 -18.5998780076

1.05+16 5.1496981481 16.0217848736 -19.0998780076

3.32+17 6.1496981481 17.5217848736 -19.5998780076

1.05+19 7.1496981481 19.0217848736 -20.0998780076

3.32+20 8.1496981481 20.5217848736 -20.5998780076

1.05+22 9.1496981481 22.0217848736 -21.0998780076


51/82

#Cd T$,.1 ,.2 ,.3

&'#Cd(C!)4(-2a)$ &'#Cd(C!)4(-2a)$ &'#Cd(C!)4(-2a)$

6.78-03 -27.5705393854 -34.1758206211 -2.1688809449

2.14-03 -26.5705393854 -32.6758206211 -2.66888094496.78-04 -25.5705393854 -31.1758206211 -3.1688809449

2.14-04 -24.5705393854 -29.6758206211 -3.6688809449

6.78-05 -23.5705393854 -28.1758206211 -4.1688809449

2.14-05 -22.5705393854 -26.6758206211 -4.6688809449

6.78-06 -21.5705393854 -25.1758206211 -5.1688809449

2.14-06 -20.5705393854 -23.6758206211 -5.6688809449

6.78-07 -19.5705393854 -22.1758206211 -6.1688809449

2.14-07 -18.5705393854 -20.6758206211 -6.6688809449

6.78-08 -17.5705393854 -19.1758206211 -7.1688809449

2.14-08 -16.5705393854 -17.6758206211 -7.66888094496.78-09 -15.5705393854 -16.1758206211 -8.1688809449

2.14-09 -14.5705393854 -14.6758206211 -8.6688809449

6.78-10 -13.5705393854 -13.1758206211 -9.1688809449

2.17-10 -12.5705393854 -11.6758206211 -9.6688809449

1.37-10 -11.5705393854 -10.1758206211 -10.1688809449

2.16-09 -10.5705393854 -8.6758206211 -10.6688809449

6.70-08 -9.5705393854 -7.1758206211 -11.1688809449

2.11-06 -8.5705393854 -5.6758206211 -11.6688809449

6.67-05 -7.5705393854 -4.1758206211 -12.1688809449

2.11-03 -6.5705393854 -2.6758206211 -12.6688809449

6.67-02 -5.5705393854 -1.1758206211 -13.1688809449

2.11+00 -4.5705393854 0.3241793789 -13.6688809449

6.67+01 -3.5705393854 1.8241793789 -14.1688809449

2.11+03 -2.5705393854 3.3241793789 -14.6688809449

6.67+04 -1.5705393854 4.8241793789 -15.1688809449

2.11+06 -0.5705393854 6.3241793789 -15.6688809449

6.67+07 0.4294606146 7.8241793789 -16.1688809449

2.11+09 1.4294606146 9.3241793789 -16.6688809449

6.67+10 2.4294606146 10.8241793789 -17.1688809449

2.11+12 3.4294606146 12.3241793789 -17.6688809449

6.67+13 4.4294606146 13.8241793789 -18.1688809449

2.11+15 5.4294606146 15.3241793789 -18.6688809449

6.67+16 6.4294606146 16.8241793789 -19.1688809449

2.11+18 7.4294606146 18.3241793789 -19.6688809449

6.67+19 8.4294606146 19.8241793789 -20.1688809449

2.11+21 9.4294606146 21.3241793789 -20.6688809449

6.67+22 10.4294606146 22.8241793789 -21.1688809449

2.11+24 11.4294606146 24.3241793789 -21.6688809449


52/82

6.67+25 12.4294606146 25.8241793789 -22.1688809449


53/82

,.4&'#Cd T$

&'#Cd(C!)4(-2a)$

-14.1046606296 -0.5367149431

-14.1046606296 -1.0367149431

-14.1046606296 -1.5367149431

-14.1046606296 -2.0367149431

-14.1046606296 -2.5367149431-14.1046606296 -3.0367149431

-14.1046606296 -3.536714943

-14.1046606296 -4.036714943

-14.1046606296 -4.5367149429

-14.1046606296 -5.0367149427

-14.1046606296 -5.5367149419

-14.1046606296 -6.0367149393

-14.1046606296 -6.5367149313

-14.1046606296 -7.0367149059

-14.1046606296 -7.5367148256-14.1046606296 -8.0367145711

-14.1046606296 -8.536713734

-14.1046606296 -9.0367083001

-14.1046606296 -9.5364272971

-14.1046606296 -10.0104247192

-14.1046606296 -9.6797851677

-14.1046606296 -8.2449712026

-14.1046606296 -6.7459404087

-14.1046606296 -5.2460339331

-14.1046606296 -3.746061375-14.1046606296 -2.2460700318

-14.1046606296 -0.7460727691

-14.1046606296 0.7539263653

-14.1046606296 2.2539260916

-14.1046606296 3.753926005

-14.1046606296 5.2539259776

-14.1046606296 6.753925969

-14.1046606296 8.2539259662

-14.1046606296 9.7539259654

-14.1046606296 11.2539259651-14.1046606296 12.753925965

-14.1046606296 14.253925965

-14.1046606296 15.753925965

-14.1046606296 17.253925965

-14.1046606296 18.753925965

-14.1046606296 20.253925965

0.0 1.0 2.0 3.0

-45

-42

-39

-36

-33

-30

-27

-24

-21

-18

-15

-12

-9

-6

-3

0

3

6

9

12

15

18

21

24

*og"d ,


54/82

,.4&'#Cd T$

&'#Cd(C!)4(-2a)$

-14.0464072642 -1.0998780076

-14.0464072642 -1.5998780076

-14.0464072642 -2.0998780076

-14.0464072642 -2.5998780076-14.0464072642 -3.0998780076

-14.0464072642 -3.5998780075

-14.0464072642 -4.0998780075

-14.0464072642 -4.5998780074

-14.0464072642 -5.0998780071

-14.0464072642 -5.599878006

-14.0464072642 -6.0998780026

-14.0464072642 -6.599877992

-14.0464072642 -7.0998779584

-14.0464072642 -7.5998778522-14.0464072642 -8.099877515

-14.0464072642 -8.5998763724

-14.0464072642 -9.0998665771

-14.0464072642 -9.5992638028

-14.0464072642 -10.0451803087

-14.0464072642 -9.4448556213

-14.0464072642 -7.9773044846

-14.0464072642 -6.4780275003

-14.0464072642 -4.9781567933

-14.0464072642 -3.4781966892-14.0464072642 -1.9782092961

-14.0464072642 -0.4782132827

-14.0464072642 1.0217854566

-14.0464072642 2.5217850579

-14.0464072642 4.0217849319

-14.0464072642 5.521784892

-14.0464072642 7.0217848794

-14.0464072642 8.5217848754

-14.0464072642 10.0217848741

-14.0464072642 11.5217848737-14.0464072642 13.0217848736

-14.0464072642 14.5217848736

-14.0464072642 16.0217848736

-14.0464072642 17.5217848736

-14.0464072642 19.0217848736

-14.0464072642 20.5217848736

-14.0464072642 22.0217848736

0.0 1.0 2.0 3.0

-42

-39

-36

-33

-30

-27

-24

-21

-18

-15

-12

-9

-6

-3

0

3

6

9

12

15

18

21

24

27

*og"d ,


55/82

,.4&'#Cd T$

&'#Cd(C!)4(-2a)$

-13.5816599086 -2.1688809449

-13.5816599086 -2.6688809449-13.5816599086 -3.1688809448

-13.5816599086 -3.6688809448

-13.5816599086 -4.1688809447

-13.5816599086 -4.6688809443

-13.5816599086 -5.1688809432

-13.5816599086 -5.6688809396

-13.5816599086 -6.1688809281

-13.5816599086 -6.6688808918

-13.5816599086 -7.168880777

-13.5816599086 -7.6688804134-13.5816599086 -8.1688792445

-13.5816599086 -8.6688746639

-13.5816599086 -9.1688041987

-13.5816599086 -9.6640362189

-13.5816599086 -9.8626289532

-13.5816599086 -8.6659803196

-13.5816599086 -7.1740299076

-13.5816599086 -5.6752670937

-13.5816599086 -4.1756456407

-13.5816599086 -2.6757652812

-13.5816599086 -1.1758031203

-13.5816599086 0.3241849132

-13.5816599086 1.824181129

-13.5816599086 3.3241799323

-13.5816599086 4.8241795539

-13.5816599086 6.3241794342

-13.5816599086 7.8241793964

-13.5816599086 9.3241793844

-13.5816599086 10.8241793807

-13.5816599086 12.3241793795

-13.5816599086 13.8241793791

-13.5816599086 15.324179379

-13.5816599086 16.8241793789

-13.5816599086 18.3241793789

-13.5816599086 19.8241793789

-13.5816599086 21.3241793789

-13.5816599086 22.8241793789

-13.5816599086 24.3241793789

0.0 1.0 2.0 3.0

-39

-36

-33

-30

-27

-24

-21

-18

-15

-12

-9

-6

-3

0

3

6

9

12

15

18

21

24

27

30

*og"d ,


56/82

-13.5816599086 25.8241793789


57/82

4.0 5.0 6.0 7.0 8.0 9.0 10.0 11.0 12.0 13.0 14.0 15.0

Diagrama de So)iidad a 5!"

$H


58/82


59/82

4.0 5.0 6.0 7.0 8.0 9.0 10.0 11.0 12.0 13.0 14.0 15.0

Diagrama de So)iidad a 95!"

$H


60/82


61/82

? (Cd) = 112.411

C> /&

>1 0.003

>2 0.003

>3 0.01

16.0 17.0 18.0 19.0 20.0

,.1 &'#Cd(C!)4(-2a)$

,.2 &'#Cd(C!)4(-2a)$

,.3 &'#Cd(C!)4(-2a)$

,.4 &'#Cd(C!)4(-2a)$

&'#Cd T$

>1 >2

>3

5.5 6.0

-10

-9.5

-9

-8.5

-8

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-7

-6.5

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-5.5

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62/82

16.0 17.0 18.0 19.0 20.0

,.1 &'#Cd(C!)4(-2a)$

,.2 &'#Cd(C!)4(-2a)$

,.3 &'#Cd(C!)4(-2a)$

,.4 &'#Cd(C!)4(-2a)$

&'#Cd T$

>1 >2

>3

5.5 6.0

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-9.5

-9

-8.5

-8

-7.5

-7

-6.5

-6

-5.5

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-4.5

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63/82

16.0 17.0 18.0 19.0 20.0

,.1 &'#Cd(C!)4(-2a)$

,.2 &'#Cd(C!)4(-2a)$

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,.4 &'#Cd(C!)4(-2a)$

&'#Cd T$

>1 >2

>3

5.5 6.0

-10

-9.5

-9

-8.5

-8

-7.5

-7

-6.5

-6

-5.5

-5

-4.5

-4

-3.5

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64/82


65/82

'l/& &' ('l/&) "H

2.66878-008 -7.573687557 6.5 - 8.5

2.66878-008 -7.573687557 5.5 - 9

0.000000089 -7.050808811 5.5 - 9

6.5 7.0 7.5 8.0 8.5 9

rama de So)iidad a 5!"

,.1 &'#Cd(C!)4(-2a)$

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,.3 &'#Cd(C!)4(-2a)$

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&'#Cd T$

>1 >2

>3

$H


66/82

6.5 7.0 7.5 8.0 8.5 9

ama de So)iidad a 25!"

,.1 &'#Cd(C!)4(-2a)$

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,.3 &'#Cd(C!)4(-2a)$

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&'#Cd T$

>1 >2

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$H


67/82

6.5 7.0 7.5 8.0 8.5 9ama de So)iidad a 95!"

,.1 &'#Cd(C!)4(-2a)$

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,.3 &'#Cd(C!)4(-2a)$

,.4 &'#Cd(C!)4(-2a)$

&'#Cd T$

>1 >2

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$H


68/82


69/82

.0

a 5!

")m$e $arciamen&e con oE" 1 2 dede )n $H 7.2a$ro a&a 9.

")m$e $arciamen&e con e E"3 dede )n $H 6.5 a 8.5.


70/82

.0

a 25!

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71/82

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72/82


73/82

298.15

Especie

HCN(a) 119.693 124.683

CN(-a) 172.313 94.14

-28.6 125.5

HS(-a) 12.082 68.199

S(-2a) 85.972 -14.602

-237.141 69.95

TC T K 1/T

0 273.15 0.0036609921

5 278.15 0.0035951825

10 283.15 0.003531697

15 288.15 0.003470414720 293.15 0.0034112229

25 298.15 0.0033540164

30 303.15 0.003298697

35 308.15 0.0032451728

40 313.15 0.0031933578

45 318.15 0.0031431715

50 323.15 0.0030945381

55 328.15 0.0030473869

60 333.15 0.0030016509

65 338.15 0.0029572675

70 343.15 0.0029141775

75 348.15 0.0028723251

80 353.15 0.0028316579

85 358.15 0.0027921262

90 363.15 0.0027536831

95 368.15 0.0027162841

100 373.15 0.0026798874

25 kj/mol S25 kj/mol

H2S(a)

H2

0.0026 0.0028 0.003 0.0032

-6.5

-6

-5.5

(@) = - 1234.7414301838@ - 2.99825

H2Sa#= HS-a# +


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&' (k) =

>

-2.9983

ES"' #J/'l$ -57.3018793399

EH"' #KJ/'l$ 23.5969150589

-8

-7.5

-7

AB = 1

1;,

*og


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e,a,'e EG 298.15 K (KJ/'l)

H2S(a)= HS(-a) + H(+a) 40.682

HS(-a) = S(-2a) + H(+a) 73.89

C!(-a) + H(+a) = HC!(a) -52.62

H2S(a)= HS(-a) + H(+a)

&K &'K

39.249475 -17.3122914503 -7.5186326459

39.53598 -17.1251881515 -7.4373747157

39.822485 -16.9446927743 -7.3589865694

40.10899 -16.7704613352 -7.283318816840.395495 -16.6021733189 -7.21023226

40.682 -16.4395297103 -7.1395970383

40.968505 -16.2822512216 -7.0712918585

41.25501 -16.1300766916 -7.0052032999

41.541515 -15.9827616389 -6.9412251854

41.82802 -15.8400769509 -6.8792580127

42.114525 -15.701807695 -6.8192084378

42.40103 -15.5677520382 -6.7609888058

42.687535 -15.4377202642 -6.7045167239

42.97404 -15.3115338776 -6.6497146725

43.260545 -15.1890247863 -6.5965096502

43.54705 -15.0700345544 -6.5448328491

43.833555 -14.9544137189 -6.4946193582

44.12006 -14.842021163 -6.4458078914

44.406565 -14.7327235418 -6.3983405376

44.69307 -14.6263947546 -6.3521625321

44.979575 -14.5229154592 -6.3072220451

EG 298.15 K (KJ/'l)

0.0034 0.0036 0.0038

9889

H+a#

0.0026 0.0028

-6

-4

-2

0

HS


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> + D(1/T)

D

-1234.7

% error

0.0015345978 ES"' #J/'l$

0.0033553733 EH"' #KJ/'l$

-16

-14

-12

-10

-8

(@) = - 2574.5AB = 1

*og


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ES 298.15 K (J/'l) EH 298.15 K (KJ/'l)

-57.301 23.59770685

-82.801 49.20288185

30.543 -43.51360455

HS(-a) = S(-2a) + H(+a)

EG 298.15 K (KJ/'l) &K &'K

71.819975 -31.6785979723 -13.7578402938

72.23398 -31.2884744081 -13.5884117826

72.647985 -30.9121288261 -13.4249669731

73.06199 -30.5488439965 -13.267194376273.475995 -30.1979516223 -13.1148037543

73.89 -29.858828236 -12.967524339

74.304005 -29.5308915027 -12.8251032253

74.71801 -29.2135968831 -12.6873039229

75.132015 -28.906434616 -12.5539050452

75.54602 -28.6089269856 -12.424699123

75.960025 -28.3206258424 -12.2994915274

76.37403 -28.0411103503 -12.1780994916

76.788035 -27.7699849375 -12.0603512209

77.20204 -27.5068774284 -11.9460850815

77.616045 -27.251437339 -11.8351488603

78.03005 -27.0033343196 -11.727399088

78.444055 -26.762256729 -11.6227004207

78.85806 -26.527910329 -11.5209250723

79.272065 -26.3000170861 -11.4219522945

79.68607 -26.0783140712 -11.3256678984

80.100075 -25.8625524475 -11.2319638159

0.003 0.0032 0.0034 0.0036 0.0038

a# = S-2a# + H+a#


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&' (k) = > + D(1/T)

> D

-4.3325 -2574.5

% error

-82.8003842978 0.0007435927

49.2024441719 0.0008895376

29013485@ - 4.3325322164

1;,

*o


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C!(-a) + H(+a) = HC!(a)

EG 298.15 K (KJ/'l) &K &'K

-51.856425 22.8730076815 9.9336210206

-52.00914 22.5279936933 9.7837833493

-52.161855 22.1951645537 9.6392374906

-52.31457 21.8738859655 9.4997079726-52.467285 21.5635669062 9.3649381175

-52.62 21.2636559991 9.2346884655

-52.772715 20.9736382442 9.1087353549

-52.92543 20.6930320666 8.9868696404

-53.078145 20.4213866483 8.8688955342

-53.23086 20.1582795113 8.7546295564

-53.383575 19.9033143249 8.6438995829

-53.53629 19.6561189142 8.5365439801

-53.689005 19.4163434467 8.4324108177

-53.84172 19.1836587812 8.3313571514

-53.994435 18.9577549598 8.2332483683

-54.14715 18.7383398307 8.1379575885

-54.299865 18.5251377875 8.0453651176

-54.45258 18.3178886143 7.9553579453

-54.605295 18.1163464266 7.8678292853

-54.75801 17.9202786973 7.7826781524

-54.910725 17.7294653625 7.699808974

8

10

12

(@) = 2276.8335353958@ + 1.5981513688AB = 1

"-a# + H+a# = H"a#


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&' (k) = > + D(1/T)

> D

1.5982 2276.8

% error

ES"' #J/'l$ 30.5439294137 0.0030429679

EH"' #KJ/'l$ -43.5129636397 0.0014728963

0.0026 0.0028 0.003 0.0032 0.0034 0.00360

2

4

6

1;,

g


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0.0038

Pregunta 1,2,3- 2da Pc funda 2

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Transcript of Pregunta 1,2,3- 2da Pc funda 2