Determine whether a chemical reaction is spontaneous by calculating the Gibbs free energy change. Enter enthalpy change, temperature, and entropy change to find ΔG and predict reaction spontaneity.
Gibbs free energy is the thermodynamic quantity that tells you whether a chemical reaction will proceed spontaneously under a given set of conditions. The equation ΔG = ΔH − TΔS captures the trade-off between two fundamental driving forces: enthalpy (ΔH, the heat released or absorbed) and entropy (ΔS, the change in disorder). Reactions tend to proceed when they release heat (ΔH < 0) and/or increase disorder (ΔS > 0); both factors contribute to making ΔG negative. The temperature T determines how much weight is given to the entropy term.
This calculator computes ΔG given ΔH, T, and ΔS. A negative ΔG means the reaction is thermodynamically favorable (spontaneous in the forward direction); positive ΔG means non-spontaneous (the reverse reaction is favored); zero means the system is at equilibrium. The size of ΔG tells you how far from equilibrium the system is — ΔG = −50 kJ/mol is strongly product-favored; −5 kJ/mol means barely-favorable; +5 kJ/mol means barely-unfavorable.
A practical caution: "spontaneous" thermodynamically just means "thermodynamically favorable" — it doesn't say anything about how fast. The famous example: diamond is metastable; converting diamond to graphite has ΔG < 0 (graphite is the more stable form), but the activation energy is so high that the conversion is immeasurably slow at room temperature. Diamonds aren't forever, but they're close enough for human purposes. Kinetics and thermodynamics together determine real-world reaction behavior.
**Scenario:** CH₄ + 2O₂ → CO₂ + 2H₂O at 298 K. ΔH = −890 kJ/mol (exothermic). ΔS = −243 J/(mol·K) (decrease in entropy as 3 gas moles → 1 gas + 2 H₂O liquid). **Calculation:** ΔG = ΔH − TΔS = −890 − (298.15 × −0.243) = −890 + 72.4 = −817.6 kJ/mol. **Result:** Strongly negative ΔG → spontaneous and essentially irreversible. K = exp(817600/(8.314 × 298)) ≈ 10¹⁴³ — overwhelmingly product-favored. This is why methane burns completely once ignited; you can't "un-burn" it under normal conditions.
**Scenario:** H₂O(s) → H₂O(l) at 298 K. ΔH = +6.0 kJ/mol (endothermic — ice has to absorb heat to melt). ΔS = +22 J/(mol·K) (liquid more disordered than crystal). **Calculation:** ΔG = 6.0 − (298.15 × 0.022) = 6.0 − 6.56 = −0.56 kJ/mol. **Result:** Slightly negative — melting is spontaneous at 298 K (room temperature). Crossover T = ΔH/ΔS = 6000/22 = 273 K = 0 °C — exactly the freezing point of water. Below 273 K, ΔG > 0 (freezing is spontaneous); above 273 K, ΔG < 0 (melting is spontaneous). The thermodynamics define the phase transition.
**Scenario:** ATP + H₂O → ADP + Pᵢ at 310 K (body temperature). Cellular conditions (not standard): ΔG ≈ −50 kJ/mol (vs ΔG° ≈ −30 kJ/mol at standard state). **Calculation:** Under cellular concentrations (ATP/ADP ratio ~10), the reaction is much more favorable than its standard value. The cell maintains high [ATP] / [ADP] ratio specifically to keep this reaction strongly product-favored. **Result:** ATP hydrolysis releases ~50 kJ/mol of usable energy in cells — the "energy currency" used to drive endergonic reactions (protein synthesis, muscle contraction, active transport). A typical adult uses about 50 kg of ATP per day, all of which is regenerated by oxidative phosphorylation.
**Use Gibbs free energy calculations to:**
- **Predict reaction spontaneity**: sign of ΔG tells whether a reaction proceeds in the forward direction. - **Compute equilibrium constants**: K = exp(−ΔG°/RT) at any temperature. - **Find the crossover temperature**: T at which a reaction switches between spontaneous and non-spontaneous. - **Design industrial processes**: Haber, methanol synthesis, ethanol production all use ΔG analysis to choose conditions. - **Biochemistry**: coupling reactions, metabolic pathway analysis, ATP-driven processes. - **Phase transitions**: predict whether a substance will melt, vaporize, sublime at given T. - **Electrochemistry**: ΔG = −nFE relates to cell voltage (used in Nernst equation). - **Geological / planetary processes**: mineral stability, magma equilibria, atmospheric chemistry.
**Practical interpretation guide:**
- **ΔG < −30 kJ/mol**: reaction essentially complete (>99.99% conversion) at equilibrium. - **−30 < ΔG < −10**: strongly product-favored but reversible (K = 100–10⁵). - **−10 < ΔG < +10**: significant amounts of both reactants and products at equilibrium. - **+10 < ΔG < +30**: strongly reactant-favored; minimal product forms. - **ΔG > +30**: essentially no reaction.
**Beware: ΔG describes equilibrium position, not rate.**
- A reaction with ΔG = −500 kJ/mol can still be vanishingly slow if the activation energy is high (diamond, gasoline at room T). - A reaction with ΔG = −5 kJ/mol can be very fast with a good catalyst. - Thermodynamics is necessary but not sufficient for a reaction to happen.
**Standard state conventions for ΔG°:**
- **Gases**: 1 atm partial pressure (or 1 bar in newer conventions). - **Solutions**: 1 M concentration. - **Pure solids/liquids**: their natural state. - **Temperature**: usually 298.15 K (25 °C) but ΔG° is reported at any T.
**Computing ΔG from formation energies:**
ΔG°_rxn = Σ(ν × ΔG°_f) products − Σ(ν × ΔG°_f) reactants
Where ν is stoichiometric coefficient and ΔG°_f is the standard Gibbs energy of formation (look up in tables for each species).
**Why divide ΔS by 1000:**
ΔH is typically in kJ/mol while ΔS is in J/(mol·K). The "TΔS" product needs to match ΔH's units; this calculator does the conversion automatically.
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ΔG
-85.09 kJ/mol
TΔS
-14.91 kJ/mol
Result
Spontaneous (favorable)
| Parameter | Value |
|---|---|
| ΔH (Enthalpy Change) | -100.00 kJ/mol |
| Temperature (T) | 298.15 K |
| ΔS (Entropy Change) | -50.00 J/(mol·K) |
| ΔS (converted) | -0.05000 kJ/(mol·K) |
| TΔS | -14.9075 kJ/mol |
| ΔG = ΔH - TΔS | -85.0925 kJ/mol |
| Spontaneity | Spontaneous (favorable) |
| Equilibrium Temperature | 2000.00 K |
| ΔG (cal/mol) | -20337.62 cal/mol |