William M. White

Geochemistry


Скачать книгу

0; thus, there is no enthalpy change associated with a pressure change for an ideal gas. This is in accord with assumptions about an ideal gas: namely, that there are no forces between molecules, hence no energy is stored as potential energy of attraction between molecules.

      The isothermal pressure dependence of entropy is given by eqn. 2.106. We substitute 1/T for α and RT/P for V and integrate from P1 to P2:

equation

      The whole enthalpy and entropy changes are the sum of the changes in these three steps:

equation

      2.11.1 Helmholtz free energy

      We can rearrange eqn. 2.58 to read dUTdS = − PdV. The −PdV term is the work term and the TdS term is the heat function. TdS is the energy unavailable for work. Therefore, dUTdS is the amount of internal energy available for work, or the free energy. We define it as A, the Helmholtz free energy:

      (2.119)equation

      As usual, we are interested in the differential form (since we are more interested in changes than in absolutes):

      or substituting eqn. 2.58 into 2.120:

      2.11.2 Gibbs free energy

       2.11.2.1 Derivation

      The Gibbs free energy is perhaps misnamed. By analogy to the Helmholtz free energy, it should be called the free enthalpy (but enthalpy is an energy), because it is derived as follows:

      and

      (2.123)equation

      or

equation

      which reduces to:

      Notice the similarity to the Helmholtz free energy; in that case we subtracted the TS term from the internal energy; in this case we subtracted the TS term from the enthalpy. The Gibbs free energy is the energy available for nonPV work (such as chemical work). It has two other important properties: its independent variables are T and P, generally the ones in which we are most interested in geochemistry, and it contains the entropy term (as does the Helmholtz free energy), and hence can be used as an indication of the direction in which spontaneous reactions will occur.

       2.11.2.2 Gibbs free energy change in reactions

      For a finite change at constant temperature, the Gibbs free energy change is:

      (2.125)equation

      The free energy change of formation, images, is related to the enthalpy and entropy change of reaction:

      (2.126)equation

      Like other properties of state, the Gibbs free energy is additive. Therefore:

      (2.127)equation

      In other words, we can use Hess's law to calculate the free energy change of reaction. Values for images at the standard state are available in compilations.

      2.11.3 Criteria for equilibrium and spontaneity

      The Gibbs free energy is perhaps the single most important thermodynamic variable in geochemistry because it provides this criterion for recognizing equilibrium. This criterion is:

       Products and reactants are in equilibrium when their Gibbs free energies are equal.

      Another important quality of the Gibbs free energy is closely related:

       At fixed temperature and pressure, a chemical reaction will proceed in the direction of lower Gibbs free energy (i.e., ΔG r <0).

      2.11.4 Temperature and pressure dependence of the Gibbs free energy

      One reason why the Gibbs free energy is useful is that its characteristic variables are temperature and pressure, which are the “external” variables of greatest interest in geochemistry. Since it is a state variable, we can deduce its temperature and pressure dependencies from eqn. 2.124, which are:

      Using the thermodynamic data given in Table 2.2, calculate ΔGr