Gibbs Free Energy and Spontaneity

Master Gibbs free energy, predict reaction spontaneity, and understand the relationship between ΔG, ΔH, ΔS, and temperature.

Gibbs Free Energy and Spontaneity

Gibbs Free Energy (G)

Free energy: Energy available to do work

Gibbs equation:

ΔG=ΔHTΔS\Delta G = \Delta H - T\Delta S

Units:

  • ΔG: kJ/mol
  • ΔH: kJ/mol
  • T: K (always Kelvin!)
  • ΔS: J/(mol·K) → convert to kJ/(mol·K)

Key conversion: 1 kJ = 1000 J

Spontaneity Criterion

ΔG predicts spontaneity:

| ΔG | Process | |----|---------| | ΔG < 0 | Spontaneous (favorable) | | ΔG = 0 | At equilibrium | | ΔG > 0 | Non-spontaneous (unfavorable) |

Important: Spontaneous ≠ fast

  • Thermodynamics (ΔG) vs kinetics (rate)
  • Diamonds → graphite: spontaneous but infinitely slow

Temperature Dependence

Four cases from ΔG = ΔH - TΔS:

Case 1: ΔH < 0, ΔS > 0

  • ΔG < 0 at all temperatures
  • Spontaneous always
  • Example: Combustion reactions

Case 2: ΔH > 0, ΔS < 0

  • ΔG > 0 at all temperatures
  • Never spontaneous
  • Example: Reverse of combustion

Case 3: ΔH < 0, ΔS < 0

  • ΔG < 0 at low T
  • ΔG > 0 at high T
  • Spontaneous only when cold

Case 4: ΔH > 0, ΔS > 0

  • ΔG > 0 at low T
  • ΔG < 0 at high T
  • Spontaneous only when hot
  • Example: Melting, vaporization

Summary Table

| ΔH | ΔS | ΔG | Spontaneous? | |----|----|----|--------------| | - | + | Always - | Always | | + | - | Always + | Never | | - | - | - at low T, + at high T | Low T only | | + | + | + at low T, - at high T | High T only |

Calculating ΔG°_{rxn}

Method 1: From ΔH° and ΔS°

ΔG°=ΔH°TΔS°\Delta G° = \Delta H° - T\Delta S°

Watch units! Convert ΔS° from J/K to kJ/K

Method 2: From ΔG°_f values

ΔG°rxn=nΔG°f(products)nΔG°f(reactants)\Delta G°_{\text{rxn}} = \sum n\Delta G°_f(\text{products}) - \sum n\Delta G°_f(\text{reactants})

Like ΔH°_f:

  • Elements in standard state: ΔG°_f = 0
  • Tabulated for compounds

Standard Free Energy of Formation

ΔG°_f: Free energy change to form 1 mole from elements (25°C, 1 atm)

Examples:

  • H₂(g): ΔG°_f = 0
  • H₂O(l): ΔG°_f = -237.1 kJ/mol
  • CO₂(g): ΔG°_f = -394.4 kJ/mol

Temperature and Equilibrium

At equilibrium: ΔG = 0

0=ΔHTeqΔS0 = \Delta H - T_{\text{eq}}\Delta S

Teq=ΔHΔST_{\text{eq}} = \frac{\Delta H}{\Delta S}

This gives transition temperature:

  • Below: one direction spontaneous
  • Above: reverse direction spontaneous
  • At T_eq: equilibrium (both directions equal)

Free Energy and Equilibrium Constant

Relationship:

ΔG°=RTlnK\Delta G° = -RT\ln K

Or:

ΔG=ΔG°+RTlnQ\Delta G = \Delta G° + RT\ln Q

Where:

  • R = 8.314 J/(mol·K)
  • K = equilibrium constant
  • Q = reaction quotient

Interpretation:

  • ΔG° < 0: K > 1 (products favored)
  • ΔG° = 0: K = 1 (equal amounts)
  • ΔG° > 0: K < 1 (reactants favored)

Coupling Reactions

Non-spontaneous reaction can be driven by spontaneous one:

If ΔG₁ > 0 (unfavorable):

  • Couple with reaction where ΔG₂ < 0
  • If |ΔG₂| > ΔG₁, overall ΔG < 0

Example: ATP in biology

  • ATP → ADP + Pi: ΔG° = -30.5 kJ/mol
  • Drives many unfavorable biological reactions

📚 Practice Problems

1Problem 1easy

Question:

For the reaction N₂(g) + 3H₂(g) → 2NH₃(g), ΔH° = -92.2 kJ and ΔS° = -198.7 J/K. (a) Calculate ΔG° at 25°C. (b) Is the reaction spontaneous? (c) At what temperature does ΔG = 0?

💡 Show Solution

Given:

  • ΔH° = -92.2 kJ
  • ΔS° = -198.7 J/K = -0.1987 kJ/K
  • T = 25°C = 298 K

(a) Calculate ΔG° at 298 K

Use: ΔG° = ΔH° - TΔS°

Convert ΔS° to kJ/K: ΔS° = -198.7 J/K × (1 kJ/1000 J) = -0.1987 kJ/K

Calculate: ΔG°=92.2(298)(0.1987)\Delta G° = -92.2 - (298)(-0.1987) ΔG°=92.2+59.2\Delta G° = -92.2 + 59.2 ΔG°=33.0 kJ\Delta G° = -33.0 \text{ kJ}

Answer (a): ΔG° = -33.0 kJ


(b) Is reaction spontaneous at 25°C?

ΔG° = -33.0 kJ < 0

Answer (b): Yes, spontaneous at 25°C (ΔG° < 0)


(c) Temperature where ΔG = 0

At equilibrium: ΔG = 0

0=ΔH°TeqΔS°0 = \Delta H° - T_{\text{eq}}\Delta S°

Teq=ΔH°ΔS°T_{\text{eq}} = \frac{\Delta H°}{\Delta S°}

Use consistent units (both kJ):

Teq=92.2 kJ0.1987 kJ/KT_{\text{eq}} = \frac{-92.2 \text{ kJ}}{-0.1987 \text{ kJ/K}}

Teq=464 KT_{\text{eq}} = 464 \text{ K}

Convert to °C: 464 - 273 = 191°C

Answer (c): T = 464 K or 191°C


Interpretation:

Signs: ΔH° < 0 (exothermic), ΔS° < 0 (less disorder)

Temperature effect:

  • Low T: ΔG < 0 (spontaneous) - ΔH term dominates
  • High T: ΔG > 0 (non-spontaneous) - TΔS term dominates
  • Below 464 K: spontaneous
  • Above 464 K: non-spontaneous

This explains why Haber process runs at moderate temperature!

2Problem 2medium

Question:

For a reaction at 298 K, ΔH° = -92.3 kJ and ΔS° = -198 J/K. (a) Calculate ΔG° and determine if the reaction is spontaneous. (b) At what temperature does the reaction become non-spontaneous?

💡 Show Solution

Solution:

(a) Calculate ΔG°: ΔG° = ΔH° - TΔS°

Convert ΔS° to kJ/K: -198 J/K = -0.198 kJ/K

ΔG° = -92.3 kJ - (298 K)(-0.198 kJ/K) ΔG° = -92.3 kJ + 59.0 kJ ΔG° = -33.3 kJ

Since ΔG° < 0, the reaction is spontaneous at 298 K.

(b) Temperature where reaction becomes non-spontaneous: At equilibrium: ΔG° = 0 0 = ΔH° - TΔS° T = ΔH° / ΔS°

T = -92.3 kJ / (-0.198 kJ/K) = 466 K (or 193°C)

Above 466 K, ΔG° > 0 (non-spontaneous) Below 466 K, ΔG° < 0 (spontaneous)

Note: This reaction has ΔH° < 0 and ΔS° < 0, so it's spontaneous at low temperatures but non-spontaneous at high temperatures.

3Problem 3medium

Question:

Calculate ΔG°_{rxn} for: C₃H₈(g) + 5O₂(g) → 3CO₂(g) + 4H₂O(l) using ΔG°_f values (kJ/mol): C₃H₈(g) = -23.5, CO₂(g) = -394.4, H₂O(l) = -237.1, O₂(g) = 0

💡 Show Solution

Reaction: C₃H₈(g) + 5O₂(g) → 3CO₂(g) + 4H₂O(l)

ΔG°_f values (kJ/mol):

  • C₃H₈(g): -23.5
  • O₂(g): 0 (element)
  • CO₂(g): -394.4
  • H₂O(l): -237.1

Formula:

ΔG°rxn=nΔG°f(products)nΔG°f(reactants)\Delta G°_{\text{rxn}} = \sum n\Delta G°_f(\text{products}) - \sum n\Delta G°_f(\text{reactants})


Products:

3 mol CO₂: 3(-394.4) = -1183.2 kJ 4 mol H₂O: 4(-237.1) = -948.4 kJ

Sum: -1183.2 + (-948.4) = -2131.6 kJ


Reactants:

1 mol C₃H₈: 1(-23.5) = -23.5 kJ 5 mol O₂: 5(0) = 0 kJ

Sum: -23.5 kJ


Calculate ΔG°_{rxn}:

ΔG°rxn=2131.6(23.5)\Delta G°_{\text{rxn}} = -2131.6 - (-23.5) ΔG°rxn=2131.6+23.5\Delta G°_{\text{rxn}} = -2131.6 + 23.5 ΔG°rxn=2108.1 kJ\Delta G°_{\text{rxn}} = -2108.1 \text{ kJ}

Answer: ΔG°_{rxn} = -2108 kJ


Interpretation:

Highly negative ΔG°:

  • Very spontaneous
  • This is combustion of propane
  • Large energy release
  • Why propane is excellent fuel

Compare to other fuels:

  • All combustions have large negative ΔG°
  • Spontaneous and exothermic
  • Release useful energy

4Problem 4hard

Question:

Consider the relationship between ΔG° and K (equilibrium constant): ΔG° = -RT ln K. For a reaction at 25°C with K = 5.0 × 10⁴, (a) calculate ΔG°, and (b) explain what this tells you about the position of equilibrium.

💡 Show Solution

Solution:

Given: K = 5.0 × 10⁴, T = 25°C = 298 K, R = 8.314 J/(mol·K)

(a) Calculate ΔG°: ΔG° = -RT ln K ΔG° = -(8.314 J/(mol·K))(298 K) ln(5.0 × 10⁴) ΔG° = -(2477.6) ln(50,000) ΔG° = -(2477.6)(10.82) ΔG° = -26,800 J/mol = -26.8 kJ/mol

(b) Interpretation:

ΔG° < 0 and K >> 1 means:

  • The reaction is product-favored (spontaneous in forward direction)
  • At equilibrium, products predominate over reactants
  • K = 50,000 means [products]/[reactants] ≈ 50,000

Relationship summary:

  • K > 1 → ΔG° < 0 (product-favored)
  • K = 1 → ΔG° = 0 (equal products and reactants)
  • K < 1 → ΔG° > 0 (reactant-favored)

The large value of K (5.0 × 10⁴) indicates the reaction goes nearly to completion under standard conditions.

5Problem 5hard

Question:

For the vaporization of water at 100°C: H₂O(l) → H₂O(g), ΔH°{vap} = 40.7 kJ/mol. (a) Calculate ΔS°{vap}. (b) Calculate ΔG° at 90°C, 100°C, and 110°C. (c) Explain results.

💡 Show Solution

Given:

  • Process: H₂O(l) → H₂O(g)
  • ΔH°_{vap} = 40.7 kJ/mol
  • Normal boiling point: 100°C = 373 K

(a) Calculate ΔS°_{vap}

At boiling point: ΔG = 0 (equilibrium)

ΔG=ΔHTΔS=0\Delta G = \Delta H - T\Delta S = 0

ΔS=ΔHT\Delta S = \frac{\Delta H}{T}

At T = 373 K:

ΔS°vap=40.7 kJ/mol373 K\Delta S°_{\text{vap}} = \frac{40.7 \text{ kJ/mol}}{373 \text{ K}}

ΔS°vap=0.109 kJ/(mol\cdotpK)=109 J/(mol\cdotpK)\Delta S°_{\text{vap}} = 0.109 \text{ kJ/(mol·K)} = 109 \text{ J/(mol·K)}

Answer (a): ΔS°_{vap} = 109 J/(mol·K)


(b) Calculate ΔG° at different temperatures

Use: ΔG° = ΔH° - TΔS°

  • ΔH° = 40.7 kJ/mol
  • ΔS° = 0.109 kJ/(mol·K)

At 90°C (363 K): ΔG°=40.7(363)(0.109)\Delta G° = 40.7 - (363)(0.109) ΔG°=40.739.6=+1.1 kJ/mol\Delta G° = 40.7 - 39.6 = +1.1 \text{ kJ/mol}

At 100°C (373 K): ΔG°=40.7(373)(0.109)\Delta G° = 40.7 - (373)(0.109) ΔG°=40.740.7=0 kJ/mol\Delta G° = 40.7 - 40.7 = 0 \text{ kJ/mol}

At 110°C (383 K): ΔG°=40.7(383)(0.109)\Delta G° = 40.7 - (383)(0.109) ΔG°=40.741.7=1.0 kJ/mol\Delta G° = 40.7 - 41.7 = -1.0 \text{ kJ/mol}

Answer (b):

  • 90°C: ΔG° = +1.1 kJ/mol
  • 100°C: ΔG° = 0 kJ/mol
  • 110°C: ΔG° = -1.0 kJ/mol

(c) Explain results

At 90°C (below boiling point):

  • ΔG° = +1.1 kJ (positive)
  • Non-spontaneous
  • Liquid is stable phase
  • Water won't boil at 1 atm

At 100°C (boiling point):

  • ΔG° = 0
  • Equilibrium
  • Liquid ⇌ gas
  • Both phases coexist at 1 atm
  • Normal boiling point!

At 110°C (above boiling point):

  • ΔG° = -1.0 kJ (negative)
  • Spontaneous
  • Gas is stable phase
  • Water vaporizes spontaneously
  • Can't maintain liquid at 1 atm

General principle:

Phase transitions:

  • ΔH > 0, ΔS > 0 (liquid → gas)
  • Low T: ΔG > 0 (liquid favored)
  • T = T_{boiling}: ΔG = 0 (equilibrium)
  • High T: ΔG < 0 (gas favored)

Boiling point is where ΔG = 0 for vaporization at 1 atm