This new aqueous system method is based on the group contribution method of Mavrovouniotis.
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A typical group contribution method using group interaction values is the UNIFAC method which estimates activity coefficients.
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A group contribution method is used to predict properties of pure components and mixtures by using group or atom properties.
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The dipole moment of a molecule can also be calculated based on the molecular structure using the concept of group contribution methods.
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The UNIQUAC model also serves as the basis of the development of the group contribution method UNIFAC, where molecules are subdivided into functional groups.
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A group contribution method uses the principle that some simple aspects of the structures of chemical components are always the same in many different molecules.
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Other group contribution methods, especially methods like UNIFAC, which estimate mixture properties like activity coefficients, use both simple additive group parameters and group interaction parameters.
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If the majority of Group Contribution Methods give results in gas phase, recently, a new such method was created for estimating the standard Gibbs free energy of formation ( ?fG2 ?) and reaction ( ?rG2 ?) in biochemical systems : aqueous solution, temperature of 25 ! and pH = 7 ( biochemical conditions ).
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