Cinética Reacción Reversible de Primer orden.

←
A k2 k1 R
→

Ecuaciones de balance de materia.

r CR0
C A=C A 0 ⋅ ( 1− X A ) C R =C R 0 + ⋅C A 0 ⋅ X A si definimos M = r = 1, a = 1
a CA 0

C R =C A 0 ⋅ ( M + X A )

Constante de equilibrio

C Ae=C A 0 ⋅ ( 1− X Ae )

C ℜ=C A 0 ⋅ ( M + X Ae )

C A 0 ⋅ ( M −X Ae ) ( M + X Ae )
K C= =
C A 0 ⋅ ( 1−X Ae ) ( 1−X Ae )
M + X Ae
K C=
1−X Ae
k1 k1
K C=  k 2=
k2 KC

Ecuación cinética.

Suponiendo una reacción elemental.

−r A =k 1 ⋅C A−k 2 ⋅ C R

Reemplazando, las expresiones de las concentraciones en función de la conversión, y k 2 en.

k1
−r A =k 1 ⋅C A 0 ⋅ ( 1−X A )− ⋅C ⋅ ( M + X A )
KC A0
Factorizando.

[
−r A =k 1 ⋅C A 0 ⋅ ( 1− X A ) −
1
KC
⋅( M + X A)
]
Ecuación cinética integrada.

d XA
Reemplazando −r A =C A 0 ⋅
dt
 C A0 ⋅
d XA
dt [
=k 1 ⋅C A 0 ⋅ ( 1−X A )−
1
KC
⋅ ( M + X A)
]

Simplificando y ordenando.

d XA
=k 1 ⋅ dt
1
( 1−X A)− ⋅ ( M + X A)
KC
Indicando la integración y límites.
XA t
d XA
∫ 1
=k 1 ⋅ ∫ dt
( A)
0 1−X −
KC
⋅ ( M + X A)
0

Resolver la integral derecha

t
k 1 ⋅ ∫ dt =k 1 ⋅ [ t ]0 =k 1 ⋅ [ t−0 ] =k 1 ⋅ t
t

Resolver la integral izquierda

XA
d XA
∫ 1
0
( 1−X A )− K ⋅ ( M + X A )
C

Ordenando el denominador

1 M 1
( 1− X A ) − K ⋅ ( M + X A )=1− X A − K − K ⋅ X A= 1− K − 1+ K ⋅ X A
C C C C C
( M
)( 1
)
M K C −M 1 K C +1
por simplicidad se hará α =1− = β=1+ =
KC KC KC KC

la integral queda
XA
dX
∫ α −β ⋅AX
0 A

U =α −β ⋅ X A dU =−β ⋅ dX A

( )
XA
−1 −β ⋅ d X A −1 −1 α −β ⋅ X A
⋅∫
X
= ⋅ [ ln ( α−β ⋅ X A ) ]0 = ⋅ ln
A

β 0 α −β ⋅ X A β β α

reemplazando el valor de K C en los valores de α y β , y simplificando

 M + X Ae
−M
K C −M 1− X Ae M + X Ae −M ⋅ ( 1−X Ae ) ( 1+ M ) ⋅ X Ae
α= = = =
KC M + X Ae M + X Ae M + X Ae
1−X Ae

M + X Ae
+1
K C +1 1−X Ae M + X Ae +1− X Ae 1+ M
β= = = =
KC M + X Ae M + X Ae M + X Ae
1−X Ae

reemplazando los valores de α y β , en el argumento del logaritmo y simplificando

α −β ⋅ X A
=
( 1+ M ) ⋅ X Ae
M + X Ae
−
1+ M
M + X Ae
⋅XA
=
M(
1+ M
+ X Ae )
⋅ ( X Ae −X A )
=
X Ae− X A

( )
α ( 1+ M ) ⋅ X Ae 1+ M X Ae
⋅ X Ae
M + X Ae M + X Ae

α −β ⋅ X A XA
=1−
α X Ae
Reemplazando todos los valores en la integral,

( ) ( )
XA
d XA M + X Ae X
∫ 1
=−
1+ M
⋅ln 1− A
X Ae
0
( 1−X A )− K ⋅ ( M + X A )
C

Igualando las integrales

−( M + X Ae
1+ M ) (
⋅ ln 1−
XA
X Ae
=k 1 ⋅t
)
Reordenando

M +1
M + X Ae
⋅ k 1 ⋅t=−ln 1−
(
XA
X Ae )
Cinética Reacción Reversible de Segundo orden.
←
A+ B k 2 k 1 R +S
→

Ecuaciones de balance de materia.

Suponiendo que a=b=r=s=1, C A 0=C B 0 , C R 0 =C S 0=0

C A=C A 0 ⋅ ( 1− X A )

b
C B=C B 0− ⋅ C A 0 ⋅ X A =C A 0 ⋅ ( 1−X A )
a
r
C R =C R 0 + ⋅C A 0 ⋅ X A =C A 0 ⋅ X A
a
s
C S=C S 0+ ⋅C A 0 ⋅ X A =C A 0 ⋅ X A
a

Constante de equilibrio

C ℜ ⋅CSe C A 0 ⋅ X Ae ⋅C A 0 ⋅ X Ae
K C= =
C Ae ⋅C Be C A 0 ⋅ ( 1−X Ae ) ⋅C A 0 ⋅ ( 1− X Ae )

X Ae 2
K C= 2
( 1−X Ae )
k1 k1
K C=  k 2=
k2 KC

Ecuación cinética.

Suponiendo una reacción elemental.

−r A =k 1 ⋅ C A ⋅ C B−k 2 ⋅C R ⋅C S

Reemplazando, las expresiones de las concentraciones en función de la conversión, y k 2 en.

k1
−r A =k 1 ⋅C A 0 ⋅ ( 1−X A ) ⋅C A 0 ⋅ ( 1−X A )− ⋅C ⋅ X ⋅C ⋅ X
KC A0 A A0 A

Factorizando.

[
−r A =k 1 ⋅C A 02 ⋅ ( 1−X A )2−
1
KC
⋅ X A2
]
Ecuación cinética integrada.

d XA
Reemplazando −r A =C A 0 ⋅
dt

C A0 ⋅
d XA
dt [ 2
=k 1 ⋅ C A 02 ⋅ ( 1−X A ) −
1
KC
⋅ X A2
]

Simplificando y ordenando.

d XA
=k 1 ⋅C A 0 ⋅ dt
2 1 2
( 1−X A ) − ⋅ X A
KC

Indicando la integración y límites.

XA t
d XA
∫ 1
=k 1 ⋅C A 0 ⋅ ∫ dt
0 1−X 2− 2
( A)
KC
⋅XA 0

Resolver la integral derecha

t
k 1 ⋅C A 0 ⋅ ∫ dt=k 1 ⋅ C A 0 ⋅ [ t ] 0=k 1 ⋅C A 0 ⋅ [ t −0 ] =k 1 ⋅C A 0 ⋅ t
t

Resolver la integral izquierda

XA
dXA
∫ 2 1 2
0
( 1−X A ) − K ⋅ X A
C

Desarrollando el denominador

2 1 1
(
( 1− X A ) − K ⋅ X A2 =1−2 X A + X A2− K ⋅ X A2= 1− K ⋅ X A 2−2 X A +1
C C C
1
)
haciendo

1 K C −1
α =1− =
KC KC
queda
XA
d XA
∫αX 2
−2 X A +1
0 A
completando el trinomio cuadrado perfecto
XA
d XA
∫
( ) ( )
2
1 1
0
√ α ⋅ X A− − −1
√α α

la integral es de la forma

∫ u2du 1
= ⋅ln
−a 2 a
2 |u−a
u+a |
+C

u=√ α ⋅ X A −
1
√α
a=
√ 1
α
−1

du=√ α ⋅ dX A

resolviendo la integral

[| |]
XA

1
⋅∫
XA
√ α ⋅dX A
=
1 1
⋅ ⋅
1
⋅ ln
√
1
α ⋅ X A− −
√α √ 1
α
−1

√α 0
( ) ( ) √α 2 1
√ √
2
1 1 1 1
√ α ⋅ X A− − −1 −1 √α ⋅ X A − + −1
√ α α α √α α 0

simplificando el argumento del logaritmo

√α ⋅ X A−
1
√α
−
√ 1
α
−1
α ⋅ X A −1−√ α ⋅

√α
√ 1
α
−1
α X A −1− √ 1−α
= =
1
√ α ⋅ X A− +
√α √ 1
α
−1 α ⋅ X A −1+ √ α ⋅

√α
√ 1
α
−1
α X A−1+ √1−α

simplificando el término fuera del logaritmo

1 1 1 1
⋅ ⋅ =
√α 2 1
α
−1
√
2 √ 1−α

la integral indefinida queda

 [| |]
XA XA
1 √ α ⋅dX A 1 α X A −1− √1−α
⋅∫ = ⋅ ln
√α 0
( ) ( ) 2 √ 1−α α X A −1+ √ 1−α
2
1 1
√ α ⋅ X A− − −1 0
√α α

aplicando los límites y leyes de logaritmos

1
2 √ 1−α
⋅ ln
[(
α X A−1−√ 1−α
α X A −1+ √ 1−α
−ln
) (
−1−√ 1−α
−1+ √ 1−α )]
1
2 √ 1−α
⋅ ln
[(
α X A−1−√ 1−α
α X A −1+ √ 1−α
⋅
)(
−1+ √ 1−α
−1−√ 1−α )]
reemplazando α en términos de K C , y simplificando

K C −1 1 1
α= 1−α= √ 1−α =
KC KC √ KC

[( ) ( )]
K C −1 1 1
⋅ X A−1− −1+
1
⋅ ln
KC √ KC ⋅
√K C
1 K C −1 1 1
2⋅ ⋅ X A −1+ −1−
√ KC KC √ KC √ KC

2 [(
√ K C ⋅ln ( K C−1 ) ⋅ X A −K C− √ K C
( K C −1 ) ⋅ X A −K C + √ K C )(
⋅
− √ K C +1
− √ K C −1 )]
Expresando en términos de X Ae el segundo factor del argumento del logaritmo

X Ae 2
K C= 2
( 1−X Ae )
X
√ K C= 1− XAe
Ae

X Ae
−1
−√ K C +1 √ K C −1 1− X Ae X −1+ X Ae
= = = Ae =2 X Ae −1
−√ K C −1 √ K C + 1 X Ae X Ae +1−X Ae
+1
1− X Ae

Expresando en términos de X Ae el primer factor del argumento del logaritmo y simplificando

 [ ]
2 2
X Ae X Ae X Ae
−1 ⋅ X A − −
( K C−1 ) ⋅ X A −K C −√ K C ( 1− X Ae ) ( 1− X Ae )
2 2
1−X Ae
= =¿
( K C −1 ) ⋅ X A−K C + √ K C
[ ]
2 2
X Ae X Ae X Ae
−1 ⋅ X A− +
( 1− X Ae ) 1−X Ae
2 2
( 1−X Ae )

[X Ae
2
−( 1− X Ae ) ] X A −X Ae −X Ae ( 1−X Ae )
2 2

=¿
[X Ae
2
−( 1− X Ae ) ] X A− X Ae + X Ae ( 1−X Ae )
2 2

[ X Ae 2−1+2 X Ae− X Ae2 ] X A −X Ae 2−X Ae + X Ae2 = ( 2 X Ae−1 ) X A− X Ae =¿

[ X Ae 2−1+2 X Ae− X Ae2 ] X A −X Ae 2+ X Ae −X Ae2 ( 2 X Ae −1 ) X A −2 X Ae2 + X Ae
( 2 X Ae −1 ) X A −X Ae ( 2 X Ae −1 ) X A −X Ae
=
( 2 X Ae−1 ) ⋅ X A− ( 2 X Ae−1 ) ⋅ X Ae ( X A −X Ae ) ( 2 X Ae−1 )

Sustituyendo ambos factores en la integral y reordenando

1 X Ae
⋅
2 1−X Ae
⋅ln
[
( 2 X Ae −1 ) X A −X Ae
( X A −X Ae ) ( 2 X Ae−1 )
1
⋅ ( 2 X Ae −1 ) = ⋅
X Ae
2 1− X Ae
⋅ ln
]
( 2 X Ae−1 ) X A − X Ae
( X A −X Ae )
=¿
[ ]
[ ]
XA
d XA 1 X Ae X Ae− ( 2 X Ae−1 ) X A
∫ 2 1 2
= ⋅
2 1− X Ae
⋅ ln
X Ae −X A
0
( 1−X A ) − K ⋅ X A
C

Igualando ambas integrales y reordenando

1 X Ae
⋅
2 1−X Ae
⋅ln
X Ae −X A [
X Ae −( 2 X Ae −1 ) ⋅ X A
=k 1 ⋅C A 0 ⋅t
]
2⋅
( 1
X Ae )
−1 ⋅k ⋅ C A 0 ⋅t=ln
1
X Ae−( 2⋅ X Ae−1 ) ⋅ X A
X Ae −X A [ ]

NOTA: Las otras cinéticas de segundo orden.

2
← k1 X Ae
2 A k 2 k 1 R+ S 2
−r A =k 1 ⋅ C A −k 2 ⋅C R ⋅ C S Kc= =
→ k 2 4 ( 1− X Ae ) 2
 2
← k1 X Ae
2 A k2 k12 R 2
−r A =k 1 ⋅ C A −k 2 ⋅C R 2
Kc= =
→ k 2 ( 1−X Ae )2

← k1 4 X 2Ae
A+ B k 2 k 1 2 R −r A =k 1 ⋅ C A ⋅ C B−k 2 ⋅C R
2
Kc= =
→ k 2 ( 1−X Ae )2

Todas comparten la misma expresión integrada, a pesar de las diferencias en la Kc .

2⋅
( 1
X Ae )
−1 ⋅k ⋅ C A 0 ⋅t=ln
1
[
X Ae−( 2⋅ X Ae−1 ) ⋅ X A
X Ae −X A ]
 Cinética Reacción Reversible de Segundo orden en sentido directo

y de Primer orden en sentido inverso.

←
A+ B k 2 k 1 R
→

Ecuaciones de balance de materia.

Suponiendo que a=b=r=1, C A 0=C B 0 , C R 0 =0

C A=C A 0 ⋅ ( 1− X A )

b
C B=C B 0− ⋅ C A 0 ⋅ X A =C A 0 ⋅ ( 1−X A )
a
r
C R =C R 0 + ⋅C A 0 ⋅ X A =C A 0 ⋅ X A
a

Constante de equilibrio

Cℜ C A 0 ⋅ X Ae X Ae
K C= = =
C Ae ⋅ C Be C A 0 ⋅ ( 1−X Ae ) ⋅C A 0 ⋅ ( 1− X Ae ) C A 0 ⋅ ( 1−X Ae )
2

Por conveniencia se escribirá de la forma

X Ae
K C ⋅C A 0= 2
( 1−X Ae )
k1 k1
K C=  k 2=
k2 KC

Ecuación cinética.

Suponiendo una reacción elemental.

−r A =k 1 ⋅ C A ⋅ C B−k 2 ⋅C R

Reemplazando, las expresiones de las concentraciones en función de la conversión, y k 2 en.

k1
−r A =k 1 ⋅C A 0 ⋅ ( 1−X A ) ⋅C A 0 ⋅ ( 1−X A )− ⋅C ⋅ X
KC A0 A
2
Factorizando. Nótese que se “forzó” un factor común de C A 0

2
[
−r A =k 1 ⋅C A 0 ⋅ ( 1−X A ) −
2 1
⋅X
K C ⋅C A 0 A ]
Ecuación cinética integrada.

d XA
Reemplazando −r A =C A 0 ⋅
dt

C A0 ⋅
d XA
dt [ 2
=k 1 ⋅ C A 02 ⋅ ( 1−X A ) −
1
K C ⋅C A 0
⋅ XA
]
Simplificando y ordenando.

d XA
=k 1 ⋅ C A 0 ⋅dt
2 1
( 1−X A ) − ⋅X
K C ⋅C A 0 A
Indicando la integración y límites.
XA t
d XA
∫ 2 1
=k 1 ⋅ C A 0 ⋅ ∫ dt
0
( 1−X A ) − ⋅X
KC⋅ CA 0 A
0

Resolver la integral derecha

t
k 1 ⋅C A 0 ⋅ ∫ dt=k 1 ⋅ C A 0 ⋅ [ t ] 0=k 1 ⋅C A 0 ⋅ [ t −0 ] =k 1 ⋅C A 0 ⋅ t
t

Resolver la integral izquierda

XA
d XA
∫ 2 1
0
( 1−X A ) − K ⋅ C ⋅ X A
C A0

Para simplificar el denominador, hacer

X Ae
K C ⋅C A 0= 2
( 1−X Ae )
por lo tanto,
2
1 ( 1− X Ae )
α= =
K C ⋅C A 0 X Ae

El denominador queda
2
( 1− X A ) −α ⋅ X A
Desarrollando el denominador
 2 2 2
( 1− X A ) −α ⋅ X A=1−2 X A + X A −α ⋅ X A =X A −( 2+α ) ⋅ X A +1
completando el trinomio cuadrado perfecto

[ ( )] ( )
2 2
2 α α
X A −( 2+α ) ⋅ X A +1= X A − 1+ +1− 1+
2 2

Para simplificar la expresión hacer

α
β=1+
2
La integral queda
XA
d XA
∫
( X A −β ) −( β 2−1 )
2
0

la integral es de la forma

∫ u2du
−a 2
2
1
= ⋅ln
a |u−a
u+a |
+C

u=X A −β a=√ β −1
2

du=dX A

resolviendo la integral

[| |]
XA
X −β− √ β −1
XA 2
d XA 1 1
∫ = ⋅ 2
2 √ β −1
⋅ ln A
0 ( X A −β ) − ( β −1 ) X A−β + √ β 2−1
2 2
0

aplicando los límites y leyes de logaritmos

[(
X A −β− √ β −1 −β− √ β 2−1
) ( )]
2
1 1
⋅ 2 ⋅ ln −ln
2 √ β −1 X A−β + √ β 2−1 −β + √ β 2−1

[( X A −β−√ β −1
)( −β + √ β 2−1
)]
2
1
⋅ ln ⋅
2 √ β 2−1 X A −β + √ β 2−1 −β− √ β 2−1

Expresar β y √ β 2−1 en términos de X Ae

 α
β=1+
2
donde
2
( 1− X Ae )
α=
X Ae

entonces
2
( 1− X Ae )
2+
α 2+α X Ae 2 X Ae + ( 1− X Ae )2 2 X Ae +1−2 X Ae + X Ae
2

β=1+ = = = =
2 2 2 2 X Ae 2 X Ae
2
1+X Ae
β=
2 X Ae

por lo tanto, el término

√( ) √ √
2 2
1+ X Ae 2
2
(1+ X Ae 2 ) ( 1+ X Ae 2) −4 X Ae2
√ β −1=
2
2 X Ae
−1= −1= =¿
4 X Ae2 4 X Ae2

√ √ √
2
1+2 X Ae 2+ X Ae 4−4 X Ae 2 1−2 X Ae2 + X Ae4 (1− X Ae2 )
= =
4 X Ae2 4 X Ae2 4 X Ae2

2
1−X Ae
√ β 2−1= 2 X Ae

Simplificando el segundo factor del argumento del logaritmo

−1+ X Ae 2 1−X Ae 2
+

( −β + √ β 2−1
−β−√ β 2−1 )=
2 X Ae 2 X Ae
−1+ X Ae 1− X Ae
−
2 2
=
−1− X Ae2 +1− X Ae2
2
−1− X Ae −1+ X Ae
2
=
−2 X Ae2
−2
2 X Ae 2 X Ae

( −β + √ β 2−1
−β−√ β −1 2 ) = X Ae
2

Simplificando el primer factor del argumento del logaritmo

 2 2
1+ X Ae 1− X Ae 2
X A− − X A−

( X A −β−√ β −1
)
2
2 X Ae 2 X Ae 2 X Ae
= =
X A −β + √ β −1
2 2 2 2
1+ X Ae 1−X Ae 2 X Ae
X A− + X A−
2 X Ae 2 X Ae 2 X Ae

1
X A−

( X A −β−√ β −1
)
2
X Ae
=
X A −β + √ β −1
2 X A −X Ae

Reemplazando los términos en el argumento del logaritmo, y simplificando

( )
1

[( )]
X A−
X A −β−√ β −1 −β + √ β −1
)(
2
X Ae 2
ln ⋅ =ln ⋅ X Ae2 =¿
X A −β + √ β −1 −β−√ β −1 X A −X Ae
2 2

¿ ln
( X Ae2 ⋅ X A −X Ae
X A −X Ae
=ln
) [
X Ae ⋅ ( X Ae ⋅ X A −1 )
X A −X Ae
= ln
] [
X Ae ⋅ ( 1− X Ae ⋅ X A )
X Ae −X A ]
Sustituyendo en la integral

[( X A−β− √ β −1
)( )]
XA
−β+ √ β −1
2
d XA 1
2
∫ = ⋅ln ⋅
( X A −β ) −( β −1 ) 2 √ β 2−1 X A− β+ √ β −1 −β −√ β −1
2 2 2 2
0

[ ]
XA
d XA 1 X Ae ⋅ ( 1−X Ae ⋅ X A )
∫ 2 1
=
1−X Ae
2
⋅ ln
X Ae −X A
0
( 1−X A ) − K ⋅ C ⋅ X A 2⋅
C A0 2 X Ae

[ ]
XA
d XA X Ae X Ae ⋅ ( 1−X Ae ⋅ X A )
∫ 1
= 2
⋅ ln
X Ae −X A
( 1−X A ) − K ⋅ C ⋅ X A 1− X Ae
0 2

C A0

Igualando ambas integrales.

 X Ae
1−X Ae
2
⋅ ln
[ X Ae ⋅ ( 1−X Ae ⋅ X A )
X Ae− X A ]=k 1 ⋅ C A 0 ⋅ t
Reacciones complejas en serie.

Suponer una reacción lineal en serie de primer orden

A k1 B k2 R
→ →

Velocidad de reacción para A

(−r A ) =k 1 ⋅C A

Forma integrada

k 1 t=−ln
( )
CA
CA 0

Modelo para la concentración de A

C A =CA 0 ⋅e−k t 1

Velocidad de reacción para B

( +r B ) =k 1 ⋅ C A −k 2 ⋅ C B

Sustituyendo el modelo para la concentración de A

d CB
=k1 ⋅C A 0 ⋅ e−k t −k 2 ⋅C B
1

dt

Ecuación diferencial lineal de primer orden de factor integrante

 La ecuación se reescribe de la forma

d CB
+ k 2 ⋅C B =k 1 ⋅ C A 0 ⋅ e−k t 1

dt

La cual se resuelve por

dy
+P ( x ) y=Q ( x )
dx

y=C⋅e ∫ +e ∫ ∫ Q ( x ) ⋅e∫ dx
− Pdx − Pdx Pdx

donde: y=C B

x=t

P ( x ) =k 2

−k 1 t
Q ( x ) =k 1 ⋅C A 0 ⋅e

resolviendo las integrales

∫ P dx=∫ k 2 dt=k 2 ⋅ t
∫ Q ( x ) ⋅ e∫ Pdx dx=∫ k 1 ⋅ C A 0 ⋅e−k t ⋅ e k ⋅t dt =k1 ⋅ C A 0 ⋅∫ e( k −k ) t dt =¿
1 2 2 1

k ⋅C
∫ Q ( x ) ⋅ e∫ Pdx dx= k1 −kA 0 ⋅e ( k −k ) t2 1

2 1

sustituyendo en la solución y simplificando

−k 2 ⋅t −k 2⋅ t k 1 ⋅C A 0 ( k −k ) t −k ⋅t k 1 ⋅C A 0 −k ⋅t
C B=C ⋅e +e ⋅ ⋅e 2 1
=C ⋅ e +
2
⋅e 1

k 2−k 1 k 2−k 1

para resolver la constante de integración “C”, se asume que C B=0 cuando t=0 .
Sustituyendo ambos valores se tiene que
 −k 2 ⋅t k 1 ⋅ C A 0 −k ⋅t
C B=C ⋅e + ⋅e 1

k 2−k 1

0 k 1 ⋅C A 0 0
0=C ⋅e + ⋅e
k 2−k 1

k1 ⋅ C A 0
0=C+
k 2−k 1

−k 1 ⋅ C A 0
C=
k 2−k 1

Sustituyendo y factorizando queda

−k 1 ⋅C A 0 −k ⋅t k 1 ⋅C A 0 −k ⋅t k1 ⋅C A 0 −k ⋅t −k ⋅t
C B= ⋅e 2
+ ⋅e = 1
⋅ (e −e ) 1 2

k 2 −k 1 k 2−k 1 k 2−k 1

Modelo cinético para B

k 1 ⋅C A 0 −k ⋅t −k ⋅t
C B= ⋅ (e −e 1
) 2

k 2 −k 1

Velocidad de reacción para R

( +r R ) =k2 ⋅ C R

Modelo cinético para R

C R =CA 0 + CB 0 +CS 0−C A −C B

Determinar la ecuación para t max y C B , max

Del modelo cinético para B

k 1 ⋅C A 0 −k ⋅t −k ⋅t
C B= ⋅ (e −e ) 1 2

k 2 −k 1

Resolver por el método de Máximos y Mínimos

 Encontrar la derivada de la función

dC B k 1 ⋅ C A 0
⋅ ( −k 1 ⋅ e )
−k ⋅t −k ⋅ t
= + k2 ⋅ e 1 2

dt k 2−k 1

 Igualar a cero la derivada

k1 ⋅ C A 0
⋅ ( −k 1 ⋅e )=0
−k ⋅t −k ⋅ t
+ k2 ⋅ e 1 2

k 2−k 1

 Se despeja t para encontrar el valor crítico de la función

−k 1 ⋅t −k 2 ⋅t
−k 1 ⋅ e + k2 ⋅ e =0

−k 2 ⋅t −k 1 ⋅t
k 2 ⋅e =k 1 ⋅e

k 2 e−k ⋅ t 1

=
k 1 e−k ⋅t 2

k 2 (k −k )⋅ t
=e 2 1

k1

( k 2−k 1 ) ⋅t =ln k
1
( ) k2
 ln ( k 2 /k 1 )
t max=
k 2−k 1

 Sustituir el valor crítico para determinar el valor máximo de la función de C B, y

simplificando

( )
ln ( k 2 /k 1 ) ln ( k2 / k1 )
k ⋅C −k ⋅ 1
−k 2 ⋅
C B , max= 1 A 0 ⋅ e k 2−k1
−e k 2−k 1
k 2−k 1

( ( )−e ( ))
−k 1 k2 −k 2 k2
k 1 ⋅C A 0 k −k
⋅ ln
k1 k 2−k 1
⋅ ln
k1
C B , max= ⋅ e
2 1

k 2−k 1

( (k ) ( ) )
−k 1 −k 2
k2 k2
k 1 ⋅C A 0
k 2 −k 1 k 2 −k 1
ln ln
k1
C B , max= ⋅ e 1
−e
k 2−k 1

( (k ) ( ) )
k1 k2
k1 k1
k 1 ⋅C A 0
k 2 −k 1 k 2 −k 1
ln ln
k2
C B , max= ⋅ e 2
−e
k 2−k 1

[( ) ( ) ]
k1 k2
k 1 ⋅C A 0 k1 k 2−k 1
k1 k 2−k 1
C B , max= ⋅ −
k 2−k 1 k2 k2

( )
k2
k 1 ⋅C A 0 k 1
C B , max= ⋅ k 2−k 1
⋅¿
k 2−k 1 k 2

( )
k2
k 1 ⋅C A 0 k 1
C B , max= ⋅ k 2−k 1
⋅¿
k 2−k 1 k 2

( ) [( ) ]
k2 −1
k ⋅C k k
C B , max= 1 A 0 ⋅ 1 k 2−k 1
⋅ 1 −1
k 2−k 1 k 2 k2

( ) [ ]
k2
k 1 ⋅C A 0 k 1 k 2−k 1
k2
C B , max= ⋅ ⋅ −1
k 2−k 1 k 2 k1
 ( ) [ ]
k2
k 1 ⋅C A 0 k 1 k 2 −k 1
C B , max= ⋅ k 2−k 1
⋅
k 2−k 1 k 2 k1

( )
k2
k1 k 2−k 1
C B , max=C A 0 ⋅
k2