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  2. Specific ion interaction theory - Wikipedia

    en.wikipedia.org/wiki/Specific_ion_interaction...

    However, when the ionic strength is changed the measured equilibrium constant will also change, so there is a need to estimate individual (single ion) activity coefficients. Debye–Hückel theory provides a means to do this, but it is accurate only at very low concentrations. Hence the need for an extension to Debye–Hückel theory.

  3. Pitzer equations - Wikipedia

    en.wikipedia.org/wiki/Pitzer_equations

    One area of application of Pitzer parameters is to describe the ionic strength variation of equilibrium constants measured as concentration quotients. Both SIT and Pitzer parameters have been used in this context, For example, both sets of parameters were calculated for some uranium complexes and were found to account equally well for the ionic ...

  4. Debye–Hückel theory - Wikipedia

    en.wikipedia.org/wiki/Debye–Hückel_theory

    The Debye–Hückel theory was proposed by Peter Debye and Erich Hückel as a theoretical explanation for departures from ideality in solutions of electrolytes and plasmas. [1] It is a linearized Poisson–Boltzmann model, which assumes an extremely simplified model of electrolyte solution but nevertheless gave accurate predictions of mean activity coefficients for ions in dilute solution.

  5. Determination of equilibrium constants - Wikipedia

    en.wikipedia.org/wiki/Determination_of...

    A speciation calculation is one in which concentrations of all the species in an equilibrium system are calculated, knowing the analytical concentrations, T A, T B etc. of the reactants A, B etc. This means solving a set of nonlinear equations of mass-balance

  6. Green–Kubo relations - Wikipedia

    en.wikipedia.org/wiki/Green–Kubo_relations

    One intuitive way to understand this relation is that relaxations resulting from random fluctuations in equilibrium are indistinguishable from those due to an external perturbation in linear response. [2] Green-Kubo relations are important because they relate a macroscopic transport coefficient to the correlation function of a microscopic variable.

  7. Ion association - Wikipedia

    en.wikipedia.org/wiki/Ion_association

    In chemistry, ion association is a chemical reaction whereby ions of opposite electric charge come together in solution to form a distinct chemical entity. [1] [2] Ion associates are classified, according to the number of ions that associate with each other, as ion pairs, ion triplets, etc. Ion pairs are also classified according to the nature of the interaction as contact, solvent-shared or ...

  8. Equilibrium chemistry - Wikipedia

    en.wikipedia.org/wiki/Equilibrium_chemistry

    The equilibrium constant for a full redox reaction can be obtained from the standard redox potentials of the constituent half-reactions. At equilibrium the potential for the two half-reactions must be equal to each other and, of course, the number of electrons exchanged must be the same in the two half reactions. [32]

  9. Gran plot - Wikipedia

    en.wikipedia.org/wiki/Gran_plot

    The Gran plot is based on the Nernst equation which can be written as = + ⁡ {+} where E is a measured electrode potential, E 0 is a standard electrode potential, s is the slope, ideally equal to RT/nF, and {H +} is the activity of the hydrogen ion.