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The activity of a real chemical is a function of the thermodynamic state of the system, i.e. temperature and pressure. Equipped with the activity coefficients and a knowledge of the constituents and their relative amounts, phenomena such as phase separation and vapour-liquid equilibria can be calculated. UNIFAC attempts to be a general model ...
Partition coefficients can be measured experimentally in various ways (by shake-flask, HPLC, etc.) or estimated by calculation based on a variety of methods (fragment-based, atom-based, etc.). If a substance is present as several chemical species in the partition system due to association or dissociation, each species is assigned its own K ow ...
The Davies equation is an empirical extension of Debye–Hückel theory which can be used to calculate activity coefficients of electrolyte solutions at relatively high concentrations at 25 °C. The equation, originally published in 1938, [ 1 ] was refined by fitting to experimental data.
In theoretical chemistry, Specific ion Interaction Theory (SIT theory) is a theory used to estimate single-ion activity coefficients in electrolyte solutions at relatively high concentrations. [ 1 ] [ 2 ] It does so by taking into consideration interaction coefficients between the various ions present in solution.
where A and B are reactants C is a product a, b, and c are stoichiometric coefficients,. the reaction rate is often found to have the form: = [] [] Here is the reaction rate constant that depends on temperature, and [A] and [B] are the molar concentrations of substances A and B in moles per unit volume of solution, assuming the reaction is taking place throughout the volume of the ...
The n-octanol-water partition coefficient, K ow is a partition coefficient for the two-phase system consisting of n-octanol and water. [1] K ow is also frequently referred to by the symbol P, especially in the English literature. It is also called n-octanol-water partition ratio. [2] [3] [4]
The distribution constant (or partition ratio) (K D) is the equilibrium constant for the distribution of an analyte in two immiscible solvents. [1] [2] [3]In chromatography, for a particular solvent, it is equal to the ratio of its molar concentration in the stationary phase to its molar concentration in the mobile phase, also approximating the ratio of the solubility of the solvent in each phase.
Mass transfer coefficients can be estimated from many different theoretical equations, correlations, and analogies that are functions of material properties, intensive properties and flow regime (laminar or turbulent flow). Selection of the most applicable model is dependent on the materials and the system, or environment, being studied.