| The Isothermal Flash Problem: New Methods for Phase Split Calculations | https://doi.org/10.1002/aic.690330606 | This summarises two main approaches at the time, minimisation and gradient descent. The maths is presented clearly, and the results are clear for the cases used. |
| The Isothermal Flash Problem. Part 1. Stability | https://doi.org/10.1016/0378-3812(82)85001-2 | Describes a method of deciding if a phase is stable. If the single phase system is stable, then no iterations are required, if it’s unstable then you still obtain an accurate initial estimate for initialising iterations |
| The Isothermal Flash Problem. Part 2. Phase-Split Calculation | https://doi.org/10.1016/0378-3812(82)85002-4 | Proposes a flash algorithm involving Broyden acceleration steps whilst far from the critical point, and Newton steps as you approach. I don’t recommend working from this paper, later papers detail methods better. |
| The Negative Flash | https://doi.org/10.1016/0378-3812(89)80072-X | Discusses allowing negative vapour fractions in when solving the Rachford-Rice relation in the inner loop of a flash problem. It also shows that this corresponds to a saddle point in the Gibbs energy surface. |
| Mixing and Combining Rules | https://doi.org/10.1016/S1874-5644(00)80020-X | Discusses theoretical boundary conditions, the Huron-Vidal Model and the Wong-Sandler Model |
| Original Wong-Sandler Mixing Rule Paper | https://doi.org/10.1002/aic.690380505 | Describes a composition dependent mixing rule |
| Reformulation of Wong-Sandler Mixing Rule | https://doi.org/10.1002/aic.690410325 | Reformulates the Wong-Sandler mixing rule to improve smoothness of transition between boundary conditions |