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Related Concept Videos

Solubility Equilibria: Ionic Product of Water01:16

Solubility Equilibria: Ionic Product of Water

2.0K
Pure water is a weak electrolyte; only a small amount ionizes into hydrogen and hydroxide ions. At any given temperature, the concentration of undissociated water is almost constant, so the ionic product of water is the product of the hydrogen and hydroxide ion concentrations, denoted as Kw. The square root of Kw gives the individual ion concentrations.
The ionic product of water varies with temperature, and its value is 1.0 x 10−14 at standard experimental conditions. Per Le...
2.0K
Water: A Bronsted-Lowry Acid and Base02:30

Water: A Bronsted-Lowry Acid and Base

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The reaction between a Brønsted-Lowry acid and water is called acid ionization. For example, when hydrogen fluoride dissolves in water and ionizes, protons are transferred from hydrogen fluoride molecules to water molecules, yielding hydronium ions and fluoride ions:
59.8K
Precipitation of Ions03:11

Precipitation of Ions

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Predicting Precipitation
The equation that describes the equilibrium between solid calcium carbonate and its solvated ions is:
30.5K
Factors Affecting Solubility04:01

Factors Affecting Solubility

37.5K
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 Chȃtelier’s principle. Consider the dissolution of silver iodide:
37.5K
Common Ion Effect03:24

Common Ion Effect

47.3K
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:
47.3K
pH Scale02:41

pH Scale

81.0K
Hydronium and hydroxide ions are present both in pure water and in all aqueous solutions, and their concentrations are inversely proportional as determined by the ion product of water (Kw). The concentrations of these ions in a solution are often critical determinants of the solution’s properties and the chemical behaviors of its other solutes. Two different solutions can differ in their hydronium or hydroxide ion concentrations by a million, billion, or even trillion times. A common means of...
81.0K

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Related Experiment Video

Updated: Feb 23, 2026

Ice Generation and the Heat and Mass Transfer Phenomena of Introducing Water to a Cold Bath of Brine
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Predicting the Ionic Product of Water.

Eva Perlt1, Michael von Domaros1, Barbara Kirchner1

  • 1Mulliken Center for Theoretical Chemistry, Institute for Physical and Theoretical Chemistry, University of Bonn, Bonn, 53115, Germany.

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|September 2, 2017
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Summary

Quantum Cluster Equilibrium theory accurately predicts the ion product of water (KW) and its temperature dependence. Stable water clusters prevent ion recombination, revealing insights into water

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Area of Science:

  • Computational Chemistry
  • Physical Chemistry
  • Theoretical Chemistry

Background:

  • The ion product of liquid water (KW) is fundamental to aqueous chemistry.
  • Understanding the behavior of hydronium (H3O+) and hydroxide (OH-) ions is crucial.
  • Previous methods struggled to accurately model low-populated ionic species in water.

Purpose of the Study:

  • To perform first-principles calculations and mechanistic characterization of KW.
  • To investigate the role of water clusters in ionic dissociation and recombination.
  • To assess the accuracy of quantum chemical methods for predicting KW.

Main Methods:

  • Utilized Quantum Cluster Equilibrium (QCE) theory.
  • Employed various ab initio and density functional theory (DFT) methods.
  • Applied standard quantum chemistry techniques for kinetic and mechanistic analysis.

Main Results:

  • Common quantum chemical methods achieve semi-quantitative accuracy for KW and its temperature dependence.
  • Identified stable 2-coordinate buttress-type water clusters as dominant in the QCE equilibrium.
  • Observed Grotthus-ordered hydrogen bond patterns preventing hydronium and hydroxide ion recombination.

Conclusions:

  • QCE theory provides a robust framework for studying ionic processes in water.
  • Specific water cluster structures play a key role in stabilizing ions and preventing recombination.
  • The study offers detailed electronic and structural insights into cluster-mediated ionic dissociation.