The Science Behind It
This tool estimates the solubility of a solid solute by modeling the two key energy components involved in dissolution:
- Ideal Solubility (Crystal Energy): First, the tool calculates the theoretical maximum solubility a solute can have at a given temperature. This "ideal solubility" is limited by the strength of the solute's crystal lattice, which is determined by its **Melting Point (Tₘ)** and **Enthalpy of Fusion (ΔH_fus)**. A high melting point means a strong crystal, which requires more energy to break, thus lowering its ideal solubility.
- Real Interaction (Mixing Energy): Ideal solubility is only achieved in a "perfect" solvent. In reality, the interaction between the solute and the solvent modifies this value. This tool uses **Hansen Solubility Parameters (HSP)** to quantify this interaction. The **Hansen Distance (Ra)** between the solute and the solvent mixture measures their chemical dissimilarity. A large `Ra` signifies a poor interaction, which penalizes the ideal solubility, reducing the final predicted value. The **k-factor** is a crucial empirical parameter that "tunes" this penalty for specific chemical systems (like those with hydrogen bonds).
How to Use This Tool
- Define Solute: Enter all 7 physical and HSP properties for your solute.
- Build Mixture: Create the fixed solvent blend you want to analyze by adding solvents and their volume percentages (must sum to 100%).
- Set Conditions: Define the temperature range you want to simulate and provide the appropriate `k`-factor for your system.
- Generate Curve: Click the "Generate Solubility Curve" button to see the results.