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Equilibrium Problems: Calculating Kc and Equilibrium Concentrations, Study notes of Chemistry

Information on solving equilibrium problems, including calculating kc values from measured equilibrium concentrations and vice versa, using equilibrium tables and the mass action expression. Examples are given for various reactions.

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2021/2022

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17.5 Solving Equilibrium Problems
Calculation of Kc(or Kp) values from measured
equilibrium concentrations (or pressures)
Calculation of equilibrium concentrations (or
pressures) from Kc(or Kp) values
Equilibrium tables (icetables) – give the
initial, i, change of, c, and equilibrium, e,
concentrations of reactants and products
For a general reaction: A + 2B C
[A]i, [B]i, [C]i initial concentrations
[A]e, [B]e, [C]e equilibrium concentrations
[A], [B], [C], change in the concentrations
[A]e= [A]i+ [A] same is valid for B and C
A + 2B
C
[C] = +x
[A] = -[C]×(1 mol A/1 mol C) = -[C] = -x
[B] = -[C]×(2 mol B/1 mol C) = -2[C] = -2x
[C]i+ x[B]i-2x[A]i-xe
+x-2x-xc
[C]i
[B]i
[A]i
i
A + 2B C
[ ]
2
ii
i
2)2)([B]([A]
)([C]
[A][B]
[C]
xx
x
Kc
+
==
i + c = e
The equation can be used to calculate Kcif xis
known or to calculate xif Kcis known
Using Equilibrium Quantities to Calculate K
If all equilibrium concentrations are given, substitute
in the mass action expression to find K
If the initial concentrations and one equilibrium
concentration are given, use an ice table to find K
Example: 1.00 mol of NH3 is sealed in a 1.00 L
container and heated to 500 K. Calculate Kcfor
2NH3(g) N2(g) +3H
2(g), if at equilibrium the
concentration of NH3is 0.58 M.
[NH3]i= 1.00 mol/1.00 L = 1.00 M
[N2]i= [H2]i= 0
[NH3]e= 0.58 M
[NH3]e= 1.00 2x= 0.58
x= (1.00 – 0.58)/2 = 0.21
[N2]e= x= 0.21 M
[H2]e= 3x= 0.63 M
3xx1.00 - 2xe
+3x+x-2xc
001.00i
2NH3(g) N2(g) +3H
2(g)
[ ]
i + c = e
160
[0.58]
3][0.21][0.6
][NH
]][H[N
2
3
2
3
3
22 .Kc===
pf3
pf4

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17.5 Solving Equilibrium Problems

  • Calculation of

K

c^

(or

K

) values from measured p

equilibrium concentrations (or pressures)

  • Calculation of equilibrium concentrations (or

pressures) from

K

c^

(or

K

) values p

Equilibrium tables

ice

tables) – give the

initial,

i

, change of,

c

, and equilibrium,

e

concentrations of reactants and products– For a general reaction:

A + 2B

C

[A]

, [B]i

, [C]i

i^

  • initial concentrations

[A]

, [B]e

, [C]e

e^

  • equilibrium concentrations

[A],

[B],

[C],

  • change in the concentrations

[A]

e^

= [A]

i^

[A]

same is valid for B and C

A + 2B

C

[C] = +

x

[A] = -

[C]

×

(1 mol A/1 mol C) = -

[C] = -

x

[B] = -

[C]

×

(2 mol B/1 mol C) = -

[C] = -

x

[C]

i^

x

[B]

  • 2i^

x

[A]

i^

-^

x

e

x

x

  • x

c

[C]

i

[B]

i

[A]

i

i

A

2B

C

[ ]

2

i

i

i

2

)([B]

([A]

([C]

[A][B]

[C]

x

x

x

K

c

i + c = e

The equation can be used to calculate

K

c^

if

x

is

known or to calculate

x

if

K

c^

is known

Using Equilibrium Quantities to Calculate

K

  • If all equilibrium concentrations are given, substitute

in the mass action expression to find

K

  • If the initial concentrations and one equilibrium

concentration are given, use an

ice

table to find

K

Example:

1.00 mol

of NH

3

is sealed in a

1.00 L

container and heated to 500 K. Calculate

K

c^

for

2NH

(g) 3

N

(g) 2

+ 3H

2

(g)

, if at equilibrium the

concentration of NH

3

is

0.58 M

[NH

] 3

i^

= 1.00 mol/1.00 L = 1.00 M

[N

2

] i

= [H

2

] i

[NH

] 3

e^

= 0.58 M

[NH

] 3

e^

x

x

[N

2

] e

x

= 0.21 M

[H

2

] e

x

= 0.63 M

3

x

x

1.00 - 2

x

e

x

+x

x

c

0

0

i

2NH

(g) 3

N

(g) 2

3H

(g) 2

[ ]

i + c = e

[0.58]

3]

[0.21][0.

]

[NH

]

][H

[N

2

3

2 3

3 2

2

K

c

Using

K

to Calculate Equilibrium Quantities

  • If

K

and all but one equilibrium concentrations are

given, substitute in the mass action expression for

K

to find the unknown concentration

  • If the initial concentrations and

K

are given, use an

ice

table to find the equilibrium concentrations

Example:

0.50 mol

of HI is sealed in a

2.0 L

reactor and heated to 700

C. Calculate the

equilibrium concentrations of all species if at 700

C,

K

c^

for 2HI

(g)

H

(g) 2

+ I

(g) 2

[HI]

i^

= 0.50 mol/2.0 L = 0.25 M

[I

] 2

i^

= [H

2

] i

x

x

0.25 - 2

x

e

x

+x

x

c

0

0

i

2HI

(g)

H

2

(g)

I

(g) 2

[ ]

2

2

2

x

-

x

x

-

x

x

i + c = e

2

022 0

25 0

022 0

022 0

2

25 0

x... x. x -.

x

× − × = ⇒ = 029 0

297 0

1

0371 0

0371 0

297 0

... x. x. x

= + = ⇒ = +

[HI]

]

][I

[H

(^22)

2 .

K

c

=^ =

[H

2

] e

= [I

] 2

e^

x

0.029 M

[HI]

e^

x

×

0.19 M

¾

Using the

quadratic formula

Example:

0.50 mol

HI and

0.30 mol

H

2

are sealed

in a

2.0 L

reactor and heated to 700

C. Calculate

the equilibrium concentrations of all species if at 700

C,

K

c^

for 2HI

(g)

H

(g) 2

+ I

2

(g)

[HI]

i^

= 0.50 mol/2.0 L = 0.25 M

[H

2

] i

= 0.30 mol/2.0 L = 0.15 M

[I

] 2

i^

x

0.15 +

x

0.25 - 2

x

e

x

+x

x

c

0

i

2HI

(g)

H

(g) 2

I

(g) 2

[ ]

i + c = e

[HI]

]

][I

[H

(^22)

2 .

K

c

=^ =

022 0

4

2

25 0

2

25 0

15 0

022 0

)

2

25 (^0) (

)

15 (^0) (

2

2

2

2

.

x

x

.

.

x x.. x -.

x x

.^

=

×

×

=

0

00138 0

172 0

912 0

088 0

022 0

00138 0

15 0

4

022 0

25 0

4

022 0

25 0

022 0

15 0

2

2

2

2

2

2

=

=

× + × × − × = +

.

x

.

x

.

x. x.. x x.

x. x.... x x.

00768 0

912 0

2

)

00138 0 (-

912 0

4

172 0

172 0

2

4

2

2

2 1

.

.

.

.

.

.

x

a

ac

b

b

x

,

=

×

× × − + − =

±

[I

2

] e

x

0.0077 M

[H

2

] e

x

0.16 M

[HI]

e^

x

×

0.23 M

The (-) solution is meaningless

For

n=

nd

iteration)

(^0024). 0

4

)

(^0020). 0

3

040 0 )(

(^0020). 0

060 (^0) (

. 10

3

3

=

×

×

=

-

.

-

.

x

(^0020). 0

4

)

(^0031). 0

3

040 0 )(

(^0031). 0

060 (^0) (

. 10

3

2

=

×

×

=

-

.

-

.

x

For

n=

rd

iteration)

For

n=

th

iteration)

(^0023). 0

4

)

(^0024). 0

3

040 0 )(

(^0024). 0

060 (^0) (

. 10

3

4

=

×

×

=

-

.

-

.

x

For

n=

th

iteration)

x

5

Since

x

5

x

4

(convergence)

x

[NH

] 3

e^

x

×

0.0046 M

Equilibrium Calculations for Reactionswith Unknown DirectionExample:

0.50 mol

H

0.50 mol

I

2

and

0.50 mol

HI are mixed in a

1.0 L

container and heated to a

temperature where

K

c^

for the reaction

H

(g) 2

+ I

2

(g)

2HI

(g)

. Calculate [HI] at equilibrium.

[H

] 2

i^

= [I

2

]i

= [HI]

i^

= 0.50 mol/1.0 L =

0.50 M

Since all reactants and products are present initially,the direction of the reaction must be determined first ⇒

Q

c^

must be calculated and compared to

K

c c

c^

K

Q

×

]

][I

[H

[HI]

2

2

2

2

Q

c^

K

c^

the reaction proceeds to the left

0.50 - 2

x

0.50 +

x

0.50 +

x

e

x

+x

x

c

i

H

2

(g)

I

(g) 2

2HI

(g)

[ ]

i + c = e

]

][I

[H

[HI]

2

2

2

=^ =

c

K

(^45). 0

)

5 0 (

)

2

50 0 (

(^45). 0

)

5 0 )(

5 0 (

)

2

50 (^0) (

2

2

2

=

− +

=

x

.

x. x. x.

x

.

)

5 (^0) (

(^45). 0

)

2

50 0 (

(^45). 0

)

5 0 (

)

2

50 (^0) (

x. x. x.

x

.^

  • × = − ⇒ =

− +

(^062). 0

(^67). 0

2

(^165). 0

(^67). 0

2

(^50). 0

(^67). 0

(^50). 0

= + = ⇒ + = × −

x

x

x

[HI]

e^

x

×

0.38 M