Ejercicio 2: Producción de formaldehído

CH 3OH  12 O2  CH 2O  H 2O

Evalúe el efecto de la temperatura en el cambio de energía libre de Gibbs de formación para el

intervalo de 300 a 700 K. Adicionalmente evalúe la constante del equilibrio químico del sistema.

 d  ln  K a    H 0
   2
 dT  P RT
0 0
H 0   Formaldehído H Formaldehído   Agua H Agua
0 0
 Metanol H Metanol  Oxígeno H Oxígeno
 Ka 
   H  1  1 
0
ln  2
 Ka
 1

 R  T2 T1 
DATOS Gf0 CoefEsteq CoefEsteq Gf0 Hf0
kcal/gmol kcal/gmol
Formaldehído H2C=O -26.27 1 -26.27 -27.7
Agua H2O -54.64 1 -54.64 -57.8
Metanol H3C=OH -38.84 -1 38.84 -48.08
Oxigeno O2 0 -0.5 0 0
∆G RXN (kcal/gmol)= -42.07 ∆H RXN (kcal/gmol)=

T2 (K°) 1/T2 (°K-1) In(Ka2) ∆G RXN (kcal/gmol)=

300 0.00333333 70.6277605 -42.1012080537
310 0.00322581 68.6027701 -1.527288922E+35 0.0033

320 0.003125 66.7043416 -1516570.001894

330 0.0030303 64.9209694 -71.8923486877
340 0.00294118 63.2425014 0
350 0.00285714 61.6599459 0 0.0028
360 0.00277778 60.1653102 0
370 0.0027027 58.7514655 0
380 0.00263158 57.4120337 0

ln(k2)
390 0.0025641 56.1412908 0
0.0023
400 0.0025 54.934085 0
410 0.00243902 53.7857673 0
420 0.00238095 52.6921313 0
430 0.00232558 51.6493622 0
440 0.00227273 50.6539916 0 0.0018
450 0.00222222 49.7028598 0
460 0.00217391 48.7930815 0
470 0.00212766 47.9220172 0
480 0.00208333 47.0872472 0
0.0013
490 0.00204082 46.2865495 0 0.0013 0.00
500 0.002 45.5178796 0
510 0.00196078 44.7793537 0
520 0.00192308 44.0692327 0
530 0.00188679 43.3859086 0
540 0.00185185 42.7278929 0
550 0.00181818 42.093805 0
560 0.00178571 41.4823631 0
570 0.00175439 40.8923753 0
580 0.00172414 40.3227319 0
590 0.00169492 39.7723984 0
600 0.00166667 39.2404094 0
610 0.00163934 38.7258627 0
620 0.0016129 38.2279142 0
630 0.0015873 37.7457736 0
640 0.0015625 37.2787 0
650 0.00153846 36.8259978 0
660 0.00151515 36.3870139 0
670 0.00149254 35.9611339 0
680 0.00147059 35.5477799 0
690 0.00144928 35.1464071 0
700 0.00142857 34.7565021 0
 CoefEsteq Hf0 T1 (K°)= 298
R(kcal/mol·K)= 1.99E-03
-27.7 Ka(T1)= 7.181544E+30
-57.8 In(Ka1) 71.049067259
48.08 1/T1 (°K-1)= 0.0033557047
0
-37.42

In(K_T2)

.0033

.0028

In(k_T2)
.0023

.0018

.0013
0.0013 0.0018 0.0023 0.0028 0.0033

1/T2(K°)
 In(k_T2)

0033
 Ejercicio 3: Síntesis de NOx

Evalúe el cambio de Energía Libre de Gibbs de formación a 298 K de temperatura de las siguientes

reacciones precursoras del smog fotoquímico:

N 2  O2  2 NO

2 NO  O2  2 NO2
 d  ln  K a    H 0
   2
 dT  P RT
0 0
H 0   Formaldehído H Formaldehído   Agua H Agua
0 0
 Metanol H Metanol  Oxígeno H Oxígeno
 Ka 
   H  1  1 
0
ln  2
 Ka
 1

 R  T2 T1 
DATOS Gf0 CoefEsteq CoefEsteq Gf0 Hf0
kcal/gmol kcal/gmol
óxido nitríco NO 20.72 2 41.44 82.88
nitrogéno N2 0 -1 0 0
Oxigéno O2 0 -1 0 0

∆G RXN (kcal/gmol)= 41.44 ∆H RXN (kcal/gmol)=

T2 (K°) 1/T2 (°K-1) In(Ka2) ∆G RXN (kcal/gmol)=

300 0.00333333 -68.118835 40.6056375839
310 0.00322581 -59.148701 7.3988154997E-27
320 0.003125 -50.739201 -1136316.246339
330 0.0030303 -42.839367 47.4395674946
340 0.00294118 -35.404229 0
350 0.00285714 -28.393957 0
360 0.00277778 -21.773144 0
370 0.0027027 -15.510212 0 Chart T
380 0.00263158 -9.576909 0
100
390 0.0025641 -3.9478777 0
400 0.0025 1.39970209 0 80

410 0.00243902 6.48642432 0 60

420 0.00238095 11.3309217 0 40
430 0.00232558 15.9500936 0
20
440 0.00227273 20.3593031 0
450 0.00222222 24.5725478 0 0
0.001 0.0015 0.002
460 0.00217391 28.6026079 0 -20
470 0.00212766 32.4611761 0 -40
480 0.00208333 36.1589707 0
-60
490 0.00204082 39.7058348 0
-80
500 0.002 43.1108244 0
510 0.00196078 46.382285 0
520 0.00192308 49.5279201 0
530 0.00188679 52.5548521 0
540 0.00185185 55.4696754 0
550 0.00181818 58.2785052 0
560 0.00178571 60.9870197 0
570 0.00175439 63.6004985 0
580 0.00172414 66.1238574 0
590 0.00169492 68.5616787 0
600 0.00166667 70.9182392 0
610 0.00163934 73.1975355 0
620 0.0016129 75.4033062 0
630 0.0015873 77.5390523 0
640 0.0015625 79.6080564 0
650 0.00153846 81.6133988 0
660 0.00151515 83.5579733 0
670 0.00149254 85.4445007 0
680 0.00147059 87.2755421 0
690 0.00144928 89.0535098 0
700 0.00142857 90.7806784 0
 CoefEsteq Hf0 T1 (K°)= 298
R(kcal/mol·K)= 1.99E-03
165.76 Ka(T1)= 4.0351092E-31
0 In(Ka1) -69.985104522
0 1/T1 (°K-1)= 0.0033557047

165.76

Chart Title

0.0015 0.002 0.0025 0.003 0.0035