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Related Concept Videos

Solubility03:00

Solubility

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Solution, Solubility, and Solubility Equilibrium
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules,...
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Enthalpy of Solution02:39

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There are two criteria that favor, but do not guarantee, the spontaneous formation of a solution:
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The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ...
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Chemical and Solubility Equilibria02:21

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The free energy change associated with dissolving a solute in a liter of solvent is called the free energy of a solution, ΔGsolution. The overall ΔGsolution is expressed as the balance of ΔGinteraction against the always-favorable free-energy of mixing, ΔGmixing. Solution formation is favorable if  ΔGsolution is less than zero, whereas it is unfavorable if ΔGsolution is greater than zero. In short, for a solution to form and complete dissolution to take place,...
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Solubility Equilibria: Overview01:09

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When a substance such as sodium chloride is added to water, it dissolves, forming an aqueous solution. The extent of dissolution is called solubility. The process of dissolution can exist in equilibrium, just like other chemical processes. Solubility equilibria are also called precipitation equilibria because the process of solubility can be reversible. The reverse of the solubility process is called precipitation.
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Physical Properties Affecting Solubility02:19

Physical Properties Affecting Solubility

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Solutions of Gases in Liquids
As for any solution, the solubility of a gas in a liquid is affected by the attractive intermolecular forces between solute and solvent species. Unlike solid and liquid solutes, however, there is no solute-solute intermolecular attraction to overcome when a gaseous solute dissolves in a liquid solvent since the atoms or molecules comprising a gas are far separated and experience negligible interactions. Consequently, solute-solvent interactions are the sole...
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Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
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Revisiting Hansen Solubility Parameters by Including Thermodynamics.

Manuel J Louwerse1,2, Ana Maldonado1,3, Simon Rousseau4

  • 1Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Postbus 94720, 1090 GS, Amsterdam, The Netherlands.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|August 1, 2017
PubMed
Summary

This study enhances the Hansen solubility parameter approach for molecular solutes by incorporating thermodynamic principles. Improved predictions for solubility, especially with solvent blends, are achieved through key corrections.

Keywords:
donor-acceptor interactionsentropysolubility parameterstemperaturethermodynamics

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Chemical Engineering

Background:

  • The Hansen solubility parameter (HSP) approach is widely used for predicting polymer-solvent interactions.
  • Existing HSP methods require refinement for accurate prediction of molecular solute solubility.

Purpose of the Study:

  • To enhance the Hansen solubility parameter approach by integrating thermodynamic principles of dissolution and mixing.
  • To improve the prediction accuracy of HSP for molecular solutes and solvent blends.

Main Methods:

  • Revisiting the Hansen solubility parameter approach with detailed entropy and enthalpy considerations.
  • Implementing corrections for solvent molecule size, crystal structure destruction, and hydrogen-bonding specificity.
  • Developing methods for predicting solubility at extrapolated temperatures.

Main Results:

  • Improved fit quality from 0.89 to 0.97 and increased correct predictions from 54% to 78% on an industrial dataset.
  • The enhanced methodology remains user-friendly while achieving greater thermodynamic soundness.
  • Successful application to solvent blends, demonstrating robustness.

Conclusions:

  • The revised Hansen solubility parameter approach offers significantly improved accuracy for molecular solute solubility prediction.
  • Thermodynamic refinements make the HSP method more robust for diverse chemical systems.
  • The provided Matlab scripts enable practical implementation of the enhanced HSP methodology.