计算标准自由能变化

The three methods are: (1) using standard enthalpy and entropy values with the ΔG° equation, (2) calculating from standard free energies of formation of products and reactants, and (3) applying Hess's law principles by summing free energy changes of stepwise reactions. Each method yields the same result since free energy is a state function.

Determine the standard enthalpy change (ΔH°) from heats of formation and standard entropy change (ΔS°) from standard molar entropies using reference tables. Substitute these values into ΔG° = ΔH° − TΔS° at 298 K. For example, calcium carbonate formation yields ΔG° = −130.7 × 10³ J using this approach.

By definition, the standard free energy of formation equals zero for elemental substances under standard state conditions because there is no net formation process—the element already exists in its standard state. This convention simplifies calculations, as only compounds contribute to the overall free energy change.

Calculate the sum of free energies of formation of products multiplied by their stoichiometric coefficients, then subtract the sum of free energies of formation of reactants multiplied by their coefficients. For hydrogen and chlorine forming hydrogen chloride, ΔG° = 2(−95.3 kJ) − 0 = −190.6 kJ.

A negative ΔG° indicates the reaction is spontaneous under standard conditions and will proceed forward. Conversely, a positive ΔG° means the reaction is nonspontaneous. Coupling a nonspontaneous reaction with a spontaneous one can yield an overall negative ΔG°, making the combined process thermodynamically favorable.

For a reaction carried out in multiple steps, sum the standard free energy changes of each individual step to obtain the overall ΔG°. This works because free energy is a state function. For zinc sulfide combustion in two steps with known ΔG° values, the net reaction yields ΔG° = −98.8 kJ.

Standard state conditions are defined as 1 bar pressure and 298 K (25°C) temperature. The free energy change calculated under these conditions is called the standard free energy change (ΔG°). These standardized conditions allow chemists to use widely available thermodynamic data tables for consistent calculations.