Excess Gibbs models

• Bulk properties
  • Example model
  • Properties of Excess Gibbs Models
    • Excess Gibbs free energy \(G^{E}(\vec{n}, T)\)
    • Logarithm of activity coefficients \(ln \, \gamma(\vec{n},T)\)
    • Excess enthalpy \(H^{E}(\vec{n}, T)\)
    • Excess entropy \(S^{E}(\vec{n}, T)\)
    • Excess heat capacity \(C_p^{E}(\vec{n}, T)\)
• Models
  • NRTL
  • UNIQUAC
  • UNIFAC models
    • Combinatorial term
      • Flory-Huggins
      • Staverman-Guggenheim
      • Fredenslund et al. (UNIFAC)
    • Residual term
    • Using ugropy to retrieve UNIFAC functional groups
    • Liquid-Vapor UNIFAC
    • PSRK UNIFAC
    • Dortmund UNIFAC