Algoritmo para el Diseño de

reactores

1. Balance molar y
ecuación
de diseño
2. Ley de velocidad
3. Estequiometría
4. Combinar
5. Evaluar
Using the Algorithm for Isothermal Reactor Design
Example: The elementary gas phase reaction

takes place in a CSTR at constant temperature (500

K) and constant pressure (16.4 atm). The feed is
equal molar in A and B.

Mole Balance

Rate Law

Stoichiometry gas phase, isothermal (T = T0), no pressure drop (P = P0)

 [Why do you suppose CB is a constant, when B is being
consumed?]

Deriving CA and CB:

Remember that the reaction is:

For a gas phase system:

If the conditions are isothermal (T = T0) and isobaric (P = P0):

And if the feed is equal molar, then:

This leaves us with CA as a function of
conversion alone:

Similarly for CB:

Combine

Evaluate
Reversible Reactions To determine the conversion or reactor volume for
reversible reactions, one must first calculate the maximum conversion that can
be achieved at the isothermal reaction temperature, which is the equilibrium
conversion.

Equilibrium Conversion, Xe

Para la constante de equilibrio se tiene:

Example: Determine Xe for a batch system with constant volume,
V = V0
Reaction Additional Information

CA0 = 0.2 mol/dm3

KC = 100 dm3/mol

Xe = 0.83
The Equilibrium Constant (KC) and Equilibrium Conversion (Xe)
for a Constant Volume System:
You are given the reversible reaction:

which takes place in a constant volume batch reactor. The equilibrium

constant, KC, for this reaction is:

where CAe and CBe are:

Substituting for CAe and CBe gives us:

Substituting known values (CA0 = 0.2 mol/dm3 and KC = 100 dm3/mol):

Solving for the equilibrium conversion, Xe, yields:

Xe = 0.83
Example: Determine Xe for a PFR with no pressure drop, P = P0

Given that the system is gas phase and isothermal, determine the reactor volume when
X = 0.8 Xe.

Reaction Additional Information

CA0 = 0.2 mol/dm3 k = 2 dm3/mol-min

KC = 100 dm3/mol FA0 = 5 mol/min
 First calculate Xe:

Xe = 0.89
X = 0.8Xe = 0.711

The Equilibrium Constant (KC) and Equilibrium Conversion (Xe)

for a Non-Constant Volume System:

You are given the reversible reaction:

which takes place in gas phase PFR. Since gas phase reactions almost
always involve volume changes, we will have to account for volume
changes in our calculations. The equilibrium constant, KC, for this
reaction is:

where CAe and CBe are:

Substituting for CAe and CBe gives us:

Substituting known values (CA0 = 0.2 mol/dm3 and

KC = 100 dm3/mol), and realizing that:

we end up with:

Solving for the equilibrium conversion, Xe, yields:

Xe = 0.89
Sugerencia para determinar Xe en un PFR usando polymath
El volumen es la variable independiente en la ecuación de diseño
del PFR, de tal forma que se deberá variar el volumen hasta que
se alcance la conversión deseada.

d(X)/d(V) = -rA/FA0

La manera más fácil de hacer esto es escoger un volumen

grande (en este caso, 500 dm3 podría ser un buen punto de
partida), calcular la conversión como función del volumen y
luego graficar la conversión versus el volumen. Recuerde que,
lo que está buscando en el ejemplo es el volumen cuando la
conversión alcanza el 80% de la conversión de equilibrio, o una
conversión de 71,7% ( X = 0,711)
Se puede usar Polymath para determinar el volumen del reactor
Tubular.

Algorithm Steps Polymath Equations

Mole Balance d(X)/d(V) = -rA/FA0

Rate Law rA = -k*((CA**2)-(CB/KC))

Stoichiometry CA = (CA0*(1-X))/(1+eps*X)

CB = (CA0*X)/(2*(1+eps*X))

Parameter Evaluation eps = -0.5

 Parameter Evaluation eps = -0.5

CA0 = 0.2

k=2

FA0 = 5

KC = 100

Initial and Final Values

X0 = 0
V0 = 0

Link: Vf = 500

poly6-1e261swk1.exe