Second edition. — Denmark: Tie-Line Publications, 2007. — 382 p.CONTENTS.
Preface.
An Outline of the Classical Thermodynamics.
The first and the second law and other basic concepts.
Other thermodynamic functions.
Equilibrium.
Phase stability.
Partial molar properties.
Residual properties.
Fugacity and fugacity coefficient.
Application of Euler's theorem.
Reference state and activity.
Ideal mixtures.
Non-ideal mixtures .
The equilibrium ratio.
Other reference states.
Calculation of Thermodynamic Properties.
The Helmholtz function.
Thermodynamic properties of the Helmholtz function.
Test of fugacity coefficients and partial derivatives.
Calculationl of the partial derivatives of F.
Thermodynamic Properties from a Cubic Equation of State.
The cubic equation of state.
The pure component parameters.
Mixtures.
Derivatives of the Helmholtz function.
Calculation of the volume.
Elimination of the gas constant.
The Ultimate Two-Parameter Equation of State.
Model concepts.
The scale factors in a two-parameter cubic equation of state.
Mixing rules for scale factors.
The new model concept.
Associating fluids.
Application of Soave's and Peng-Robinson's correlations.
The partial derivatives.
Derivatives of non-quadratic mixing rules.
Excess Gibbs Energy Models.
The van der Waals model.
Classical excess Gibbs energy models.
The local composition excess Gibbs energy models.
Consistency tests of excess Gibbs energy models.
The infinite and the zero pressure limits of the excess functions.
An equation of state from the local composition model.
The derivatives of excess Gibbs energy models.
Derivatives of more complex models.
Electrolytes - Ions and Zwitterions.
The fundamental equation.
The chemical potentials of ions.
The permittivity.
The Debye-Huckel equation.
The chemical potentials and other properties.
The molality-scale chemical potential.
The electrostatic Helmholtz energy of dipolar ions.
The chemical potentials of dipolar ions and other properties.
Computation of the first and second order derivatives.
Excess Gibbs Energy Models in Equations of State.
Excess Gibbs energy from a cubic equation of state.
Infinite pressure. The Huron-Vidal mixing rule.
Zero pressure. Modified Huron-Vidal mixing rules.
The Wong-Sandler approach.
General Equations of Phase Equilibrium.
The basic equilibrium equations.
The trivial solution.
Verifying the solution; Stability analysis.
Alternative formulation of equations; Equilibrium factors.
Molar flows.
Ideal solutions.
Stability Analysis and Critical Points.
Stability analysis.
Calculation of critical points.
Practical determination of the critical point.
Higher order critical points.
The Isothermal Two-Phase Flash.
Successive substitution and the Rachford-Rice equation.
Convergence analysis.
Initial estimates.
Accelerated direct substitution.
Gibbs energy minimization by second order methods.
Strategy for a flash algorithm.
Tangent plane analysis.
Locating the minima of tm.
Procedures for minimizing tm.
Hybrid models.
Liquid-liquid equilibrium.
When speed counts.
The Multiphase Isothermal Flash.
Successive substitution.
Pure phases and solids.
Acceleration of successive substitution.
Gibbs energy minimization by second order methods.
Stability analysis.
Selection of initial estimates for stability analysis.
Selection of trial phase compositions.
Near-critical phases.
Saturation Points and Phase Envelopes.
Ideal solution based methods.
Constructing the phase envelope.
Step selection and stepsize control.
Unusual phase envelopes.
Phase diagrams for binary mixtures.
Phase diagrams for ternary mixtures.
Chemical Reaction Equilibrium.
Chemical reaction equilibrium.
Independent chemical reactions and reaction extents.
Formula matrix and element balances.
Solution by constrained optimization.
Chemical models.
Combined physical and chemical models.
Chemical models and equations of state.
Mixture Helmholtz energy.
SAFT-type models.
Other State Function Based Specifications.
State functions.
Modified objective functions.
Maximizing Q.
A Newton approach.
Solution strategy.
Numerical Methods.
Non-linear algebraic equations.
The Newton-Raphson method.
Other choices of A.
Successive substitution.
Quasi-Newton methods.
Unconstrained minimization.
Constrained minimization.
Eigenvalues and Eigenvectors.
Index.
