A method to extend the domain of convergence for difficult multicomponent, multistage separation problems

Abstract A new computational procedure is presented to attain convergent solutions for multistage, multicomponent separation problems for non-ideal fluid mixture systems when starting from very crude initial assumptions. The procedure incorporates a gradual non-ideality enhancing method into the Ishii–Otto pseudo-binary-mixture (PBM) algorithm [Comput. Chem. Eng. 25 (2001) 1285]. Shifting K -values from ideal to non-ideal in the course of iterative calculations gradually approaches the correct solution to a problem. The domain of convergence with the proposed procedure is greatly extended and very difficult problems where both non-ideality of fluid systems and very rough assumptions for initial variables are involved can be solved with the same ease as one solves problems with ideal physical properties. An innovative method, made possible because of the PBM concept, to simplify the Jacobian matrix and significantly reduce the computing time for evaluation of the Jacobian is also presented. The effectiveness of the methods is illustrated with example problems.

[1]  Donald P. Sandholm,et al.  Multicomponent separation calculations by linearization , 1971 .

[2]  D. J. Vickery,et al.  Path-following approaches to the solution of multicomponent, multistage separation process problems , 1986 .

[3]  Sandro Macchietto,et al.  New approach to approximation of quantities involving physical properties derivatives in equation‐oriented process design , 1983 .

[4]  Angelo Lucia,et al.  Flash and distillation calculations by a Newton-like method , 1984 .

[5]  J. Perregaard,et al.  Model simplification and reduction for simulation and optimization of chemical processes , 1993 .

[6]  V. Hlavácek,et al.  Simulation of countercurrent separation processes via global approach , 1985 .

[7]  T. L. Wayburn,et al.  Multiple steady-state solutions for interlinked separation systems , 1986 .

[8]  J. Ilavský,et al.  Global simulation of countercurrent separation processes via one-parameter imbedding techniques , 1981 .

[9]  John F. Tomich,et al.  A new simulation method for equilibrium stage processes , 1970 .

[10]  Guido Buzzi Ferraris A powerful improvement of the global Newton-Raphson method for multistaged multicomponent separators , 1983 .

[11]  J. D. Seader,et al.  A general correlation of vapor‐liquid equilibria in hydrocarbon mixtures , 1961 .

[12]  J. W. Kovach Heterogenous azeotropic distillaion-homotopy-continuation methods , 1987 .

[13]  G. D. Byrne,et al.  Distillation calculations using a locally paramaterized continuation method , 1985 .

[14]  F. D. Otto,et al.  A general algorithm for multistage multicomponent separation calculations , 1973 .

[15]  M. K. Shah,et al.  Multistage multicomponent separation calculations using thermodynamic properties evaluated by the srk/pr equation of state , 1978 .

[16]  J. D. Seader,et al.  Computing multiple solutions to systems of interlinked separation columns , 1987 .

[17]  Mark A. Stadtherr,et al.  A modification of Powell's dogleg method for solving systems of nonlinear equations , 1981 .