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Besides the well-known Pitzer-like equations, there is a simple and easy-to-use semi-empirical model, which is called the three-characteristic-parameter correlation (TCPC) model. It was first proposed by Lin et al. [22] It is a combination of the Pitzer long-range interaction and short-range solvation effect: ln γ = ln γ PDH + ln γ SV
In 1923, Peter Debye and Erich Hückel reported the first successful theory for the distribution of charges in ionic solutions. [7] The framework of linearized Debye–Hückel theory subsequently was applied to colloidal dispersions by S. Levine and G. P. Dube [8] [9] who found that charged colloidal particles should experience a strong medium-range repulsion and a weaker long-range attraction.
The two terms on the right-hand side constitute a repulsion and an attraction, because their first derivatives with respect to are negative and positive, respectively. Buckingham proposed this as a simplification of the Lennard-Jones potential , in a theoretical study of the equation of state for gaseous helium , neon and argon .
Here is the one-body term, the two-body term, the three body term, the number of atoms in the system, the position of atom , etc. , and are indices that loop over atom positions. Note that in case the pair potential is given per atom pair, in the two-body term the potential should be multiplied by 1/2 as otherwise each bond is counted twice ...
Donnan potential is the difference in the Galvani potentials [1] which appears as a result of Donnan equilibrium, named after Frederick G. Donnan, which refers to the distribution of ion species between two ionic solutions separated by a semipermeable membrane or boundary. [2]
Firstly, equilibrium constants are determined at a number of different ionic strengths, at a chosen temperature and particular background electrolyte. The interaction coefficients are then determined by fitting to the observed equilibrium constant values. The procedure also provides the value of K at infinite dilution. It is not limited to ...
Le Chatelier–Braun principle analyzes the qualitative behaviour of a thermodynamic system when a particular one of its externally controlled state variables, say , changes by an amount , the 'driving change', causing a change , the 'response of prime interest', in its conjugate state variable , all other externally controlled state variables remaining constant.
Another example is the Born (ionic) model of the ionic lattice. The first term in the next equation is Coulomb's law for a pair of ions, the second term is the short-range repulsion explained by Pauli's exclusion principle and the final term is the dispersion interaction term. Usually, a simulation only includes the dipolar term, although ...