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Related Concept Videos

Common Ion Effect03:24

Common Ion Effect

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Compared with pure water, the solubility of an ionic compound is less in aqueous solutions containing a common ion (one also produced by dissolution of the ionic compound). This is an example of a phenomenon known as the common ion effect, which is a consequence of the law of mass action that may be explained using Le Châtelier’s principle. Consider the dissolution of silver iodide:
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Thermodynamics: Activity Coefficient01:24

Thermodynamics: Activity Coefficient

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Activity is the measure of the effective concentration of the species in solution. It can be expressed as the product of the molar concentration of the species and its activity coefficient. The activity coefficient is a dimensionless quantity and depends on the total ionic strength of the solution.
The activity coefficient is a measure of the deviation from ideal behavior. When the ionic strength of the solution is minimal, the activity coefficient of an ionic species is close to unity, making...
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Thermodynamic Properties of Ideal Solutions01:19

Thermodynamic Properties of Ideal Solutions

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For an ideal liquid solution, the standard state of each component is defined as the pure liquid at the temperature and pressure of the solution. Similarly, for solid solutions, the standard state is the pure solid. The chemical potentials of the components in the ideal solution are compared to the chemical potentials of the pure substances in their standard states. These standard states provide a reference point for calculating the thermodynamic properties of ideal solutions.For ideal...
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Liquid–Solid Solutions01:29

Liquid–Solid Solutions

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The process of a solid dissolving in a liquid to form a solution is governed by the solubility limit, which is the maximum amount of the solid substance, or solute, that can be dissolved in a specific volume of the liquid or solvent. As the solute dissolves, it reaches a point where no more solute can be dissolved at a given temperature - this is known as the saturation point. However, if further solute is added and it manages to dissolve, the solution becomes supersaturated. Supersaturated...
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The Born-Haber Cycle

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Lattice Energy 
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Thermodynamic Potentials01:26

Thermodynamic Potentials

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Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
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Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
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Carbonate based ionic liquid synthesis (CBILS®): thermodynamic analysis.

Roland S Kalb1, Elena N Stepurko2, Vladimir N Emel'yanenko3

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The Carbonate Based Ionic liquid Synthesis (CBILS®) offers a greener, halogen-free route to industrial ionic liquid production. Quantum-chemical calculations now predict reaction feasibility, reducing experimental screening for this versatile process.

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Area of Science:

  • Green Chemistry
  • Materials Science
  • Chemical Engineering

Background:

  • The Carbonate Based Ionic liquid Synthesis (CBILS®) is an established industrial process for producing ionic liquids.
  • CBILS® offers a greener, halogen-free alternative for synthesizing diverse ionic liquids.
  • Experimental screening of starting materials is resource-intensive for optimizing CBILS®.

Purpose of the Study:

  • To develop a computational method for assessing the feasibility of CBILS® reactions.
  • To reduce the extensive experimental effort required for empirical screening in CBILS®.
  • To provide a predictive tool for the industrial application of the CBILS® process.

Main Methods:

  • Utilized quantum-chemical calculations to assess reaction feasibility.
  • Calculated thermodynamic functions for 16 representative CBILS® reactions.
  • Determined thermodynamic equilibrium constants at 298 K and 393 K for gaseous and liquid states.

Main Results:

  • Successfully tested a quantum-chemical calculation method on 16 CBILS® reactions.
  • Calculated thermodynamic equilibrium constants provide a measure of practical yield.
  • Theoretical results showed good agreement with experimental data.

Conclusions:

  • Quantum-chemical calculations offer a powerful tool to predict CBILS® reaction feasibility.
  • This method significantly reduces "trial and failure" in industrial ionic liquid synthesis.
  • The developed method supports the optimization and broader application of the CBILS® process.