Equilibrate Examples (Jupyter notebooks)

The Notebooks/Equilibrate folder contains Jupyter notebooks that illustrate features and capabilities of the Equilibrate class, which is defined in the Equilibrate module. The Equilibrate class computes equilibrium phase assemblages given a collection of phases, a bulk composition, and specified values of two thermodynamic variables, e.g., (T,P), (S,P), (T,V) or (S,V). The class can also compute equilibrium in systems open to mass transfer under conditions of specified chemical potential constraints, e.g., fixed oxygen fugacity, fixed saturation state or fluid or mineral phases.

Module used:

• Equilibrate

The links below access static versions only. You can access executable versions from the Notebooks folder.

❇️ Example 1: Gibbs energy minimization (fixed T, P, bulk composition)

Gibbs free energy minimization; closed system; rhyolite-MELTS

❇️ Example 2: Gibbs free energy potential minimization (T, P)

Gibbs free energy minimization; open system; fixed chemical potential of oxygen using the empirical constraint of Kress and Carmichael (1991); rhyolite-MELTS

❇️ Example 3: Korzhinskii potential minimization (T, P, 𝝁H₂O constrained)

Khorzhinskii potential minimization in an open system; fixed chemical potential of water

❇️ Example 4: Enthalpy potential minimization (S, P, constrained)

Enthalpy minimization; closed system; fixed entropy and pressure

❇️ Example 5: Helmholtz potential minimization (T, V, constrained)

Helmholtz energy minimization; closed system; fixed temperature and volume

❇️ Example 6: Internal energy potential minimization (S, V, constrained)

Internal energy minimization; closed system; fixed entropy and volume

❇️ Example 7a: Korzhinskii potential minimization (T, P, 𝝁SiO₂ constrained)

Khorzhinskii potential minimization in an open system; fixed chemical potential of silica (quartz)

❇️ Example 7b: Khorzhinskii potential minimization (T, P, 𝝁Al₂O₃ constrained)

Khorzhinskii potential minimization in an open system; fixed chemical potential of alumina (corundum)

❇️ Example 8: Korzhinskii potential minimization (T, P, 𝝁SiO₂, 𝝁Al₂O₃ constrained)

Khorzhinskii potential minimization in an open system; fixed chemical potential of silica (quartz) and alumina (corundum)

❇️ Example 9a: Korzhinskii potential minimization (T, P, 𝝁SiO₂, 𝝁Albite, 𝝁Anorthite, 𝝁Sanidine constrained)

Khorzhinskii potential minimization in an open system; fixed chemical potential of silica (quartz) and feldspar saturation

❇️ Example 9b: Olivine phase loop

Calculation of the olivine solid-liquid phase loop