The mass balance for bisulfate ions (HSO4-) involves accounting for all sources and sinks of this species in a system. In a chemical system, the mass balance for bisulfate ions would include the initial amount present, plus any added HSO4- from reactions, and minus any that are converted into other species through reactions. It's a way to track how much HSO4- is present at different points in time or in different parts of a system.

🧠Example-1/2

Here's a simplified example of how you might start setting up the mass balance for bisulfate ions (HSO4-):

https://gist.github.com/viadean/380703ddb07c0df6fbf5a9cd621f4c2d

To make the model more realistic, you would need to include:

• Electrode Kinetics: Butler-Volmer equation to relate reaction rates to overpotentials (deviation from equilibrium potential).
• Nernst Equation: To calculate equilibrium potentials based on concentrations.
• Ohm's Law: To account for resistance within the battery.
• Transport Phenomena: Fick's laws for diffusion of ions in the electrolyte.

Libraries like cantera or specialized electrochemical modeling toolboxes (if available for Python) can be very helpful for handling these more complex aspects.

Data Analysis and Visualization:

Once you have simulation results or experimental data, Python libraries like NumPy, Pandas, and Matplotlib are invaluable for:

• Storing and manipulating data.
• Performing statistical analysis.
• Creating informative plots of concentration changes, voltage profiles, current-voltage relationships, etc.

🧠Example-2/2

Below is an example Python code for symbolic representation and basic analysis of the given reactions:

https://gist.github.com/viadean/ae857ed1a300dfe4bf9bfee98a1e91cb

Explanation of the Code

1. Symbolic Representation: The sympy.Eq function is used to define the chemical equations symbolically.