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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.
The simplest form of a group-contribution method is the determination of a component property by summing up the group contributions : [] = +.This simple form assumes that the property (normal boiling point in the example) is strictly linearly dependent on the number of groups, and additionally no interaction between groups and molecules are assumed.
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.
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 ...
In chemistry, the rate of a chemical reaction is influenced by many different factors, such as temperature, pH, reactant, the concentration of products, and other effectors. The degree to which these factors change the reaction rate is described by the elasticity coefficient. This coefficient is defined as follows:
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 activity coefficient of the components in a system is a correction factor that accounts for deviations of real systems from that of an Ideal solution, which can either be measured via experiment or estimated from chemical models (such as UNIFAC).
In thermodynamics, an activity coefficient is a factor used to account for deviation of a mixture of chemical substances from ideal behaviour. [1] In an ideal mixture, the microscopic interactions between each pair of chemical species are the same (or macroscopically equivalent, the enthalpy change of solution and volume variation in mixing is zero) and, as a result, properties of the mixtures ...