A method for simulation, in particular for computerized calculation, of at least one physical property of a system of one or more chemical species that includes at least one chemical species dissolved in at least one chemical species, using a quasi-chemical, COSMO-RS, COSMO-SAC, or COSMOSPACE calculation involving composition dependent segment interactions and achieving Gibbs-Duhem consistent chemical potentials and activity coefficients or Gibbs-Duhem consistent chemical potentials or Gibbs-Duhem consistent activity coefficients. According to the invention, either at least one uncorrected segment activity coefficient or at least one segment contacting probability resulting from an initial quasi-chemical, COSMO-RS, COSMO-SAC or COSMOSPACE calculation is used as an input variable as for the calculation, or at least one uncorrected segment activity coefficient and at least one segment contacting probability resulting from the initial quasi-chemical, COSMO-RS, COSMO-SAC or COSMOSPACE calculation are used as input variables as for the calculation.
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