Tutorial

• Getting Started
  • Using This Documentation
  • Installation Instructions
    • Local Installation
    • Building from source
    • Setting a Google Colab to use yaeos
  • Installation For Developers
  • Yaeos units
• Equations of State (EoS)
  • Bulk Properties
    • Example model
    • Properties function of Volume and Temperature \(\left(V, T \right)\)
      • Pressure
      • Logarithm of fugacity coefficients \(ln \, \phi(\textbf{n},V,T)\)
      • Residual Helmholtz free energy \(A^r(\textbf{n},V,T)\)
      • Residual Gibbs free energy \(G^r(\textbf{n}, V, T)\)
      • Residual enthalpy \(H^r(\textbf{n}, V, T)\)
      • Residual internal energy \(U^r(\textbf{n}, V, T)\)
      • Residual entropy \(S^r(\textbf{n}, V, T)\)
      • Residual heat capacity at constant volume \(C_V^r(\textbf{n}, V, T)\)
      • Residual heat capacity at constant pressure \(C_P^r(\textbf{n}, V, T)\)
    • Properties function of Pressure and Temperature \(\left(P, T \right)\)
      • Volume
      • Logarithm of fugacity coefficients \(ln \, \phi(\textbf{n},P,T)\)
      • Residual Helmholtz free energy \(A^r(\textbf{n},P,T)\)
      • Residual Gibbs free energy \(G^r(\textbf{n}, P, T)\)
      • Residual enthalpy \(H^r(\textbf{n}, P, T)\)
      • Residual internal energy \(U^r(\textbf{n}, P, T)\)
      • Residual entropy \(S^r(\textbf{n}, P, T)\)
      • Residual heat capacity at constant volume \(C_V^r(\textbf{n}, P, T)\)
      • Residual heat capacity at constant pressure \(C_P^r(\textbf{n}, P, T)\)
    • Excess properties (properties of mixing)
      • Excess volume \(V^E(\textbf{n}, P, T)\)
      • Logarithm of activity coefficients \(ln \, \gamma(\textbf{n},P,T)\)
      • Helmholtz free energy of excess \(A^E(\textbf{n}, P, T)\)
      • Gibbs free energy of excess \(G^E(\textbf{n}, P, T)\)
      • Excess enthalpy \(H^E(\textbf{n}, P, T)\)
      • Excess internal energy \(U^E(\textbf{n}, P, T)\)
      • Excess entropy \(S^E(\textbf{n}, P, T)\)
  • Cubic Equations of State
    • Generic Cubic Equation of State
    • Peng-Robinson (1976)
    • Peng-Robinson (1978)
    • Soave-Redlich-Kwong
    • RKPR
    • Predictive Soave-Redlich-Kwong (PSRK)
    • Mixing Rules
      • Quadratic mixing rule (QMR)
      • QMRTD: QMR with temperature dependence of \(k_{ij}\)
      • Huron-Vidal mixing rule
      • Modified Huron-Vidal mixing rule (MHV)
      • Huron-Vidal Coupled with NRTL Mixing Rule
      • segmented Density Dependent Local Composition (sDDLC)
  • Multifluid Equations of State
    • Gerg2008
      • Things to be careful about
  • SAFT Equations of State
    • PC-SAFT
  • Phase Equilibrium Calculations
    • Calculating an isotherm
    • Calculate a saturation pressure
      • Pure compound
      • Mixture
    • Pxy diagram for a mixture
    • Flash calculation
    • Phase envelopes
      • Model definition
      • PT phase envelope calculation
      • Px phase envelopes
      • Tx phase envelopes
    • Critical lines
      • Calculation of critical points
      • Calculation of critical lines
    • Stability analysis
    • Pure components saturation lines
    • Three-phase envelopes
  • GPEC (Global Phase Equilibrium Calculations)
    • Binary Systems Diagrams
      • Global Phase Equilibria Diagram (GPED)
  • Fitting Equations of State
    • Fitting interaction parameters of binary systems
      • Data structure
      • Default model prediction
      • Definition of the optimization problem
      • Optimization result
      • Another example
• Excess Gibbs models
  • Bulk properties
    • Example model
    • Properties of Excess Gibbs Models
      • Excess Gibbs free energy \(G^{E}(\textbf{n}, T)\)
      • Logarithm of activity coefficients \(ln \, \gamma(\textbf{n},T)\)
      • Excess enthalpy \(H^{E}(\textbf{n}, T)\)
      • Excess entropy \(S^{E}(\textbf{n}, T)\)
      • Excess heat capacity \(C_p^{E}(\textbf{n}, T)\)
  • Models
    • NRTL
    • UNIQUAC
    • UNIFAC models
      • Liquid-Vapor UNIFAC
      • PSRK UNIFAC
      • Dortmund UNIFAC
  • Equilibrium calculations
    • Example model
    • Flash \(\gamma \text{-} \gamma\)
    • Stability analysis