1 “ice” calculations. 2 the equilibrium constant a a + b b ---> c c + d d (at a given t)....

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1 “ICE” CALCULATIONS

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Page 1: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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“ICE” CALCULATIONS

Page 2: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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THE EQUILIBRIUM CONSTANTTHE EQUILIBRIUM CONSTANTa A + b B ---> c C + d D

(at a given T)

K =[C]c [D]d

[A]a [B]b

conc. of products

conc. of reactantsequilibrium constant

Pure substances are not included in equation..

Page 3: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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H+ (aq)+ OH- (aq) H2O(l)

WRITE THE EQUILIBRIUM CONSTANT

EXPRESSION

CaO (s) + CO2 (g) CaCO3 (s)

K =

K =

Page 4: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

4Typical CalculationsPROBLEM:

Place 1.00 mol each of H2 and I2 in a 1.0 L flask. Calc. equilibrium concentrations.

Kc = [HI]2

[H2 ][I2 ] = 55.3Kc =

[HI]2

[H2 ][I2 ] = 55.3

H2(g) + I2(g) 2 HI(g)

X X 2 X

Q = 0/12 = 0

- - +

Page 5: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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H2(g) + I2(g) 2 HI(g)Kc = 55.3

H2(g) + I2(g) 2 HI(g)Kc = 55.3

Step 1. Set up ICE table

[H2] [I2] [HI]

Initial 1.00 1.00 0

Change

Equilib

Page 6: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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[H2] [I2] [HI]

Initial 1.00 1.00 0

Change -x -x +2x

Equilib1.00-x 1.00-x 2x

where x is defined as am’t of H2 and

I2 consumed on approaching

equilibrium.

Step 2. define “X”

Page 7: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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HH22(g) + I(g) + I22(g) (g) ee 2 HI(g) 2 HI(g)KKcc = 55.3 = 55.3

Step 3. Put equilibrium concentrations into Kc expression.

Kc = [2x]2

[1.00 - x][1.00 - x] = 55.3Kc =

[2x]2

[1.00 - x][1.00 - x] = 55.3

Page 8: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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[H2] = [I2] = 1.00 - x = 0.21 M

[HI] = 2x = 1.58 M

[H2] = [I2] = 1.00 - x = 0.21 M

[HI] = 2x = 1.58 M

Step 4. Solve Kc expression - take square

root of both sides.

x = 0.79Therefore, at equilibrium

HH22(g) + I(g) + I22(g) (g) --->---> 2 HI(g) K 2 HI(g) Kcc = 55.3 = 55.3

Kc = [2x]2

[1.00 - x][1.00 - x] = 55.3Kc =

[2x]2

[1.00 - x][1.00 - x] = 55.3 7.44 =

2x1.00 - x

7.44 = 2x

1.00 - x

Page 9: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Pg 132 CPSC

Page 10: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Nitrogen Dioxide Equilibrium

N2O4(g) ---> 2 NO2(g)

Nitrogen Dioxide Equilibrium

N2O4(g) ---> 2 NO2(g)

X 2X

Page 11: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Nitrogen Dioxide EquilibriumN2O4(g) ---> 2 NO2(g)

Nitrogen Dioxide EquilibriumN2O4(g) ---> 2 NO2(g)

If initial concentration of N2O4 is 0.50 M, what are the equilibrium concentrations?

Step 1. Set up an ICE table

[N2O4] [NO2]

Initial 0.50 0

Change

Equilib

Kc = [NO2 ]2

[N2O4 ] = 0.0059 at 298 KKc =

[NO2 ]2

[N2O4 ] = 0.0059 at 298 K

Page 12: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Step 2. Define “X”

[N2O4] [NO2]

Initial 0.50 0

Change -x +2x

Equilib 0.50 - x 2x

Nitrogen Dioxide EquilibriumN2O4(g) ---> 2 NO2(g)

Nitrogen Dioxide EquilibriumN2O4(g) ---> 2 NO2(g)

Page 13: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Step 2. Define “X”

[N2O4] [NO2]

Initial 0.50 0

Change -x +2x

Equilib 0.50 2x

APPROXIMATE: K is small: x will be small

APPROXIMATE: K is small: x will be small

Kc = [NO2 ]2

[N2O4 ] = 0.0059 at 298 KKc =

[NO2 ]2

[N2O4 ] = 0.0059 at 298 K

Page 14: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Step 3. Substitute into Kc expression and solve.

Kc = 0.0059 = [NO2 ]2

[N2O4 ]=

(2x)2

(0.50 - x) Kc = 0.0059 =

[NO2 ]2

[N2O4 ]=

(2x)2

(0.50 - x)

Rearrange: 0.0059 (0.50) = 4x2

0.0029 = 4x2

0.0029/4 = x2

X = 0.027Step 4. check if assumption is correct

0.50 – 0.027 = 0.47 same?

Page 15: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Step 3. Substitute into Kc expression and solve.

Kc = 0.0059 = [NO2 ]2

[N2O4 ]=

(2x)2

(0.50 - x) Kc = 0.0059 =

[NO2 ]2

[N2O4 ]=

(2x)2

(0.50 - x)

Rearrange: 0.0059 (0.50 - x) = 4x2

0.0029 - 0.0059x = 4x2

4x2 + 0.0059x - 0.0029 = 0

This is a QUADRATIC EQUATION ax2 + bx + c = 0

a = 4 b = 0.0059 c = -0.0029

Page 16: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Solve the quadratic equation for x.

ax2 + bx + c = 0

a = 4 b = 0.0059 c = -0.0029

x = -b b2 - 4ac

2ax =

-b b2 - 4ac2a

x = -0.0059 (0.0059)2 - 4(4)(-0.0029)

2(4)x =

-0.0059 (0.0059)2 - 4(4)(-0.0029)2(4)

x = -0.00074 ± 1/8(0.046)x = -0.00074 ± 1/8(0.046)1/21/2 = = -0.00074 ± 0.027-0.00074 ± 0.027

Page 17: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Nitrogen Dioxide EquilibriumNitrogen Dioxide EquilibriumNN22OO44(g) (g) --->---> 2 NO 2 NO22(g)(g)

Nitrogen Dioxide EquilibriumNitrogen Dioxide EquilibriumNN22OO44(g) (g) --->---> 2 NO 2 NO22(g)(g)

x = 0.026 or -0.028

negative value is not reasonable.

Conclusion: x = 0.026 M [N2O4] = 0.050 - x = 0.47 M

[NO2] = 2x = 0.052 M

x = -0.00074 ± 1/8(0.046)1/2 = -0.00074 ± 0.027

Page 18: 1 “ICE” CALCULATIONS. 2 THE EQUILIBRIUM CONSTANT a A + b B ---> c C + d D (at a given T). Pure substances are not included in equation

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Solving Quadratic Solving Quadratic EquationsEquations

• Recommend you solve the

equation exactly on a calculator