Extension of modified RAND to multiphase flash specifications based on state functions other than (T,P)

Duncan Paterson, Michael Locht Michelsen, Wei Yan, Erling Halfdan Stenby

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Abstract

The recently proposed modified RAND formulation is extended from isothermal multiphase flash to several other state function based flash specifications. The obtained general formulation is applicable to chemical equilibrium although this study is focused on flash with only phase equilibrium. It is demonstrated that a common symmetric Jacobian matrix can be formulated for all of these flash specifications. Newton iteration with the common Jacobian is used to converge for the majority of cases and a Q-function maximisation with nested isothermal flash in the inner loop is used for the non-convergent exceptions. For isothermal flash with modified RAND, it can happen in rare occasions that the modified RAND step is ascending in the Gibbs energy. A correction of the step is proposed for such cases to obtain a descent direction without violating the condition used in the derivation of modified RAND. A two-phase example is used to demonstrate that the described method is suitable for (H,P), (T,V), (S,V) and (U,V) flash specifications and a four-phase case is examined in more detail for the difficult (U,V) case. Two- and three-phase examples close to critical regions are used to demonstrate the effectiveness of the correction procedure for the modified RAND step and to show that satisfactory rates of convergence are obtained.
Original languageEnglish
JournalFluid Phase Equilibria
Volume458
Pages (from-to)288-299
ISSN0378-3812
DOIs
Publication statusPublished - 2017

Keywords

  • Flash calculation
  • Phase equilibrium
  • Chemical equilibrium
  • State function
  • Algorithm
  • Equation of state

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