Tutorials

Each tutorial below is presented in a Jupyter notebook. You can view the executed notebooks here in the documentation, view the raw notebooks on GitHub, or interactively run them in your web browser using Binder by clicking the respective links below.

Functionality Overview

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• pyEQL Overview
  • Installation
  • Main feature: The Solution class
  • Units-Aware Calculations
  • Contribution Opportunities

Overview of Activity Coefficient Methods

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• pyEQL Tutorial: Activity Coefficient Models
  • Different modeling engines
  • Comparing Activity Coefficient Models
  • Activity coefficient on different scales

Calculating Osmotic Pressure

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• pyEQL Tutorial: Calculating Osmotic Pressure
  • Installation
  • First, create a Solution
  • Get the osmotic pressure
  • Use a for loop for multiple calculations
  • Compare different modeling engines
  • Plot the comparison vs. experiment

Accessing the Property Database

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• pyEQL Tutorial: Searching the Property Database
  • Installation
  • First, import the property database
  • How to Search the Database
  • Counting Documents
  • More Advanced Query Syntax
  • Unique Values

Modeling Carbonate Equilibrium

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• Calculating Carbonate System Equilibrium with ``pyEQL``
• Step 1: Install and Import Libraries
• Step 2: Define Initial Concentrations for Carbonate Species
• Section 2: Initialize the Solution
• Step 4: Retrieve and Display Initial Concentrations
• Step 5: Equilibrate the Solution and re-examine the concentrations
• Step 6: Examine how Species Concentrations Changes as a function of pH