Hybrid method for phase equilibrium flash calculations

Various numerical approaches have been adopted to solve the single-stage isothermal flash problem. These approaches result in two classes of methods. The first includes equation-solving methods that try to solve a nonlinear equation system; the second is based on a minimization of the total Gibbs free energy. Most of these methods may fail to find a solution or may lead to erroneous solutions near critical conditions when an equation of state is applied to both the vapor and liquid phases. M. N. Ammar and H. RenonCentre Reacteurs & Processus Ecole Nationale Superieure des Mines de New methods for solving the problem are proposed. Combining the Paris simplicity in structure of the conventional successive-substitution method and the efficiency of some unconstrained minimization algorithms, they all ensure convergence to local minima of the Gibbs free energy. The new methods are compared from the standpoints of computer storage and calculational effort requirements. The performance of these methods is tested on four multicomponent systems taken from literature, and a comparison is made with other published methods.

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The isothermal flash problem: New methods for phase split calculations

Ammar

Renon

1987

AIChE Journal

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An accelerated successive substitution method for single stage flash calculations

1988

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An acceleration technique, based on the Dominant Eigenvalue Method of Orbach and Crowe (1971), is proposed to accelerate a successive substitution method in which liquid and vapor compositions are used as the iteration variables. The performance of this scheme is compared with the accelerated successive substitution method of Mehra et al. (1983) and the General Dominant Eigenvalue Method (GDEM) of Crowe and Nishio (1975) as implemented by Michelsen (1982, 1987) which iterate upon the equilibrium ratios. The proposed acceleration scheme exhibits a less oscillatory behavior during convergence, and requires less storage than the accelerated methods using the K‐factors as the iteration variables. However, the number of thermodynamic evaluations is comparable with that of Mehra et al. (1983) and is more than that of Michelsen (1982, 1987).

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Automatic Differentiation applications to computer aided process engineering

Mischler¹,

Joulia²,

Hassold

et al. 1995

Computers & Chemical Engineering

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Hybrid method for phase equilibrium flash calculations

Cited by 8 publications

References 17 publications

The isothermal flash problem: New methods for phase split calculations

The isothermal flash problem: New methods for phase split calculations

An accelerated successive substitution method for single stage flash calculations

Automatic Differentiation applications to computer aided process engineering

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