Description
Problem
During solution initialization, certain combinations of pe and pH can lead to physically inconsistent states, such as:
Currently, when such a pe–pH combination is provided, the system fails during the solution equilibrium stage, although this issue could be detected earlier during solution initialization.
Expected Behavior
When initializing a solution:
- The system should detect invalid or unstable
pe–pH combinations that would cause water splitting.
- A clear and explicit error message should be raised during solution creation, explaining why the initialization failed.
Current Behavior
- The solution initialization fails to capture an error when certain
pe–pH combinations are used.
- A
ValueError is reported during the equilibrium stage, making it difficult to diagnose the root cause.
Suggested Improvement
- Add a water stability check during solution initialization to evaluate whether the specified
pe–pH combination falls within the water stability region of the pe–pH (Eh–pH) diagram.
- Explicitly catch and report cases where:
- Water splitting would occur
- The water stability limits should be evaluated based on the specified temperature
- Provide a user-friendly error message at initialization time.
Description
Problem
During solution initialization, certain combinations of
peandpHcan lead to physically inconsistent states, such as:Currently, when such a
pe–pHcombination is provided, the system fails during the solution equilibrium stage, although this issue could be detected earlier during solution initialization.Expected Behavior
When initializing a solution:
pe–pHcombinations that would cause water splitting.Current Behavior
pe–pHcombinations are used.ValueErroris reported during the equilibrium stage, making it difficult to diagnose the root cause.Suggested Improvement
pe–pHcombination falls within the water stability region of the pe–pH (Eh–pH) diagram.